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@Article{C9CP00203K,
author = {McCluskey, Andrew R. and Sanchez-Fernandez, Adrian and Edler, Karen J. and Parker, Stephen C. and Jackson, Andrew J. and Campbell, Richard A. and Arnold, Thomas},
title = {Bayesian determination of the effect of a deep eutectic solvent on the structure of lipid monolayers},
journal = {Phys. Chem. Chem. Phys.},
year = {2019},
volume = {21},
pages = {6133-6141},
abstract = {In this work{,} we present the first example of the self-assembly of phospholipid monolayers at the interface between air and an ionic solvent. Deep eutectic solvents are a novel class of environmentally friendly{,} non-aqueous{,} room temperature liquids with tunable properties{,} that have wide-ranging potential applications and are capable of promoting the self-assembly of surfactant molecules. We use a chemically-consistent Bayesian modelling of X-ray and neutron reflectometry measurements to show that these monolayers broadly behave as they do on water. This method allows for the monolayer structure to be determined{,} alongside the molecular volumes of the individual monolayer components{,} without the need for water-specific constraints to be introduced. Furthermore{,} using this method we are able to better understand the correlations present between parameters in the analytical model. This example of a non-aqueous phospholipid monolayer has important implications for the potential uses of these solvents and for our understanding of how biomolecules behave in the absence of water.},
doi = {10.1039/C9CP00203K},
issue = {11},
publisher = {The Royal Society of Chemistry},
}
@Article{McCluskey2019,
author = {{McCluskey}, Andrew R. and {Grant}, James and {Smith}, Andrew J. and {Rawle}, Jonathan L. and {Barlow}, David J. and {Lawrence}, M. Jayne and {Parker}, Stephen C. and {Edler}, Karen J.},
title = {{Assessing molecular simulation for the analysis of lipid monolayer reflectometry}},
journal = {Journal of Physics Communications},
year = {2019},
volume = {3},
pages = {075001},
month = Jan,
doi = {10.1088/2399-6528/ab12a9},
keywords = {Condensed Matter - Soft Condensed Matter},
}
@Article{Nelson2019,
author = {Andrew R. J. Nelson and Stuart W. Prescott},
title = {refnx: neutron and X-ray reflectometry analysis in Python},
journal = {Journal of Applied Crystallography},
year = {2019},
volume = {52},
number = {1},
pages = {193-200},
month = feb,
abstract = {refnx is a model-based neutron and X-ray reflectometry data analysis package written in Python. It is cross platform and has been tested on Linux, macOS and Windows. Its graphical user interface is browser based, through a Jupyter notebook. Model construction is modular, being composed from a series of components that each describe a subset of the interface, parameterized in terms of physically relevant parameters (volume fraction of a polymer, lipid area per molecule etc.). The model and data are used to create an objective, which is used to calculate the residuals, log-likelihood and log-prior probabilities of the system. Objectives are combined to perform co-refinement of multiple data sets and mixed-area models. Prior knowledge of parameter values is encoded as probability distribution functions or bounds on all parameters in the system. Additional prior probability terms can be defined for sets of components, over and above those available from the parameters alone. Algebraic parameter constraints are available. The softwares offers a choice of fitting approaches, including least-squares (global and gradient-based optimizers) and a Bayesian approach using a Markov-chain Monte Carlo algorithm to investigate the posterior distribution of the model parameters. The Bayesian approach is useful for examining parameter covariances, model selection and variability in the resulting scattering length density profiles. The package is designed to facilitate reproducible research; its use in Jupyter notebooks, and subsequent distribution of those notebooks as supporting information, permits straightforward reproduction of analyses.},
doi = {10.1107/S1600576718017296},
}
@Article{Johnson2019,
author = {E. Johnson and T. Murdoch and I. Gresham and B. Humphreys and S. W. Prescott and A. Nelson and G. B. Webber and E. Wanless},
title = {Temperature dependent specific ion effects in mixed salt environments on a thermoresponsive poly(oligoethylene glycol methacrylate) brush},
journal = {Physical Chemistry Chemical Physics},
year = {2019},
volume = {21},
pages = {4650 - 4662},
doi = {10.1039/C8CP06644B},
}
@Article{Appel2019,
author = {Christian Appel and Björn Kuttich and Lukas Stühn and Robert W. Stark and Bernd Stühn},
title = {Structural Properties and Magnetic Ordering in 2D Polymer Nanocomposites: Existence of Long Magnetic Dipolar Chains in Zero Field},
journal = {Langmuir},
year = {2019},
volume = {35},
pages = {13180 - 12191},
abstract = {The existence of magnetic dipolar nanoparticle chains at zero field has been predicted theoretically for decades, but these structures are rarely observed experimentally. A prerequisite is a permanent magnetic moment on the particles forming the chain. Here we report on the observation of magnetic dipolar chains of spherical iron oxide nanoparticles with a diameter of 12.8 nm. The nanoparticles are embedded in an ultrathin polymer film. Due to the high viscosity of the polymer matrix, the dominating aggregation mechanism is driven by dipolar interactions. Smaller iron oxide nanoparticles (8 nm) show no permanent magnetic moment and do not form chains but compact aggregates. Mixed monolayers of iron oxide nanoparticles and polymer at the air−water interface are characterized by Langmuir isotherms and in situ X-ray reflectometry (XRR). The combination of the particles with a polymer leads to a stable polymer nanocomposite film at the air−water interface. XRR experiments show that nanoparticles are immersed in a thin polymer matrix of 2 nm. Using atomic force microscopy (AFM) on Langmuir−Blodgett films, we measure the lateral distribution of particles in the film. An analysis of single structures within transferred films results in fractal dimensions that are in excellent agreement with 2D simulations.},
doi = {10.1021/acs.langmuir.9b02094},
}
@misc{mccluskey2019using,
title={Using Bayesian model selection to advise neutron reflectometry analysis from Langmuir-Blodgett monolayers},
author={Andrew R. McCluskey and Thomas Arnold and Joshaniel F. K. Cooper and Tim Snow},
year={2019},
eprint={1910.10581},
archivePrefix={arXiv},
primaryClass={cond-mat.soft}
}
@article{Pospelov:ge5067,
author = "Pospelov, Gennady and Van Herck, Walter and Burle, Jan and Carmona Loaiza, Juan M. and Durniak, C{\'{e}}line and Fisher, Jonathan M. and Ganeva, Marina and Yurov, Dmitry and Wuttke, Joachim",
title = "{{\it BornAgain}: software for simulating and fitting grazing-incidence small-angle scattering}",
journal = "Journal of Applied Crystallography",
year = "2020",
volume = "53",
number = "1",
pages = "262--276",
month = "Feb",
doi = {10.1107/S1600576719016789},
abstract = {{\it BornAgain} is a free and open-source multi-platform software framework for simulating and fitting X-ray and neutron reflectometry, off-specular scattering, and grazing-incidence small-angle scattering (GISAS). This paper concentrates on GISAS. Support for reflectometry and off-specular scattering has been added more recently, is still under intense development and will be described in a later publication. {\it BornAgain} supports neutron polarization and magnetic scattering. Users can define sample and instrument models through Python scripting. A large subset of the functionality is also available through a graphical user interface. This paper describes the software in terms of the realized non-functional and functional requirements. The web site https://www.bornagainproject.org/ provides further documentation.},
keywords = {grazing-incidence small-angle scattering (GISAS), X-ray scattering, neutron scattering, simulation, software},
}
@article{freychet2020morphology,
title={Morphology of poly (lactide)-block-poly (dimethylsiloxane)-block-polylactide high-$\chi$ triblock copolymer film studied by grazing incidence small-angle X-ray scattering},
author={Freychet, Guillaume and Maret, Mireille and Fernandez-Regulez, Marta and Tiron, Raluca and Gharbi, Ahmed and Nicolet, Celia and Gergaud, Patrice},
journal={Journal of Polymer Science},
volume={58},
number={15},
pages={2041--2050},
year={2020},
doi="10.1002/pol.20200196",
publisher={Wiley Online Library},
}
@article{refId0,
author = {{Gerelli, Yuri}},
title = {Applications of neutron reflectometry in biology},
doi={10.1051/epjconf/202023604002},
journal = {EPJ Web Conf.},
year = 2020,
volume = 236,
pages = "04002",
}
@article{McCluskey_2020,
doi = {10.1088/2632-2153/ab94c4},
year = 2020,
month = {jul},
publisher = {{IOP} Publishing},
volume = {1},
number = {3},
pages = {035002},
author = {Andrew R McCluskey and Joshaniel F K Cooper and Tom Arnold and Tim Snow},
title = {A general approach to maximise information density in neutron reflectometry analysis},
journal = {Machine Learning: Science and Technology},
abstract = {Neutron and x-ray reflectometry are powerful techniques facilitating the study of the structure of interfacial materials. The analysis of these techniques is ill-posed in nature requiring the application of model-dependent methods. This can lead to the over- and under- analysis of experimental data when too many or too few parameters are allowed to vary in the model. In this work, we outline a robust and generic framework for the determination of the set of free parameters that are capable of maximising the information density of the model. This framework involves the determination of the Bayesian evidence for each permutation of free parameters; and is applied to a simple phospholipid monolayer. We believe this framework should become an important component in reflectometry data analysis and hope others more regularly consider the relative evidence for their analytical models.},
}
@MastersThesis{simonne2019diffraction,
title={Diffraction investigation of the Half-Heusler to Full-Heusler transition in Ni2-xMnSb},
url = {http://dsimonne.eu/Documents/MasterThesisSimonne.pdf},
author={Simonne, David},
year={2019},
school={Technical University of Munich},
}
@article{johnson2020enrichment,
doi = {10.1021/acs.langmuir.0c01502},
title = {Enrichment of Charged Monomers Explains Non-monotonic Polymer Volume Fraction Profiles of Multi-stimulus Responsive Copolymer Brushes},
author = {Johnson, Edwin C and Willott, Joshua D and Gresham, Isaac J and Murdoch, Timothy J and Humphreys, Ben A and Prescott, Stuart W and Nelson, Andrew and de Vos, Wiebe M and Webber, Grant B and Wanless, Erica J},
journal = {Langmuir},
year = {2020},
publisher = {ACS Publications},
}
@article{andersson2020solid,
doi = {10.1016/j.ymeth.2020.09.005},
title = {Solid-supported lipid bilayers--A versatile tool for the structural and functional characterization of membrane proteins},
author = {Andersson, Jakob and Bilotto, Pierluigi and Mears, Laura LE and Fossati, Stefan and Ramach, Ulrich and K{\"o}per, Ingo and Valtiner, Markus and Knoll, Wolfgang},
journal = {Methods},
volume = {180},
pages = {56--68},
year = {2020},
publisher = {Elsevier},
}
@misc{carmona2020towards,
title={Towards Reflectivity profile inversion through Artificial Neural Networks},
author={Carmona-Loaiza, Juan Manuel},
eprint={2010.07634},
archivePrefix={arXiv},
year={2020},
primaryClass={cond-mat.soft},
}
@Article{Robertson2020,
author = {Hayden Robertson and Edwin C. Johnson and Isaac J. Gresham and Stuart W. Prescott and Andrew Nelson and Erica J. Wanless and Grant B. Webber},
title = {Competitive specific ion effects in mixed salt solutions on a thermoresponsive polymer brush},
journal = {Journal of Colloid and Interface Science},
year = {2020},
doi = {10.1016/j.jcis.2020.10.092},
}
@article{gresham2020structure,
title={Structure and Hydration of Asymmetric Polyelectrolyte Multilayers as Studied by Neutron Reflectometry: Connecting Multilayer Structure to Superior Membrane Performance},
author={Gresham, Isaac J and Reurink, Dennis M and Prescott, Stuart W and Nelson, Andrew RJ and de Vos, Wiebe M and Willott, Joshua D},
journal={Macromolecules},
year={2020},
publisher={ACS Publications},
doi = {10.1021/acs.macromol.0c01909},
}
@article{cheema2020insect,
title={Insect Odorant Receptor Nanodiscs for Sensitive and Specific Electrochemical Detection of Odorant Compounds},
author={Cheema, Jamal Ahmed and Aydemir, Nihan and Carraher, Colm and Khadka, Roshan and Colbert, Damon and Lin, Harris T and Nelson, Andrew and Kralicek, Andrew and Travas-Sejdic, Jadranka},
journal={Sensors and Actuators B: Chemical},
pages={129243},
year={2020},
publisher={Elsevier},
doi={10.1016/j.snb.2020.129243},
}
@article{boyd2020comparison,
title={A comparison between the structures of reconstituted salivary pellicles and oral mucin (MUC5B) films},
author={Boyd, Hannah and Gonzalez-Martinez, Juan F and Welbourn, Rebecca JL and Gutfreund, Philipp and Klechikov, Alexey and Robertsson, Carolina and Wickstr{\"o}m, Claes and Arnebrant, Thomas and Barker, Robert and Sotres, Javier},
journal={Journal of Colloid and Interface Science},
year={2021},
publisher={Elsevier},
volume = {584},
pages = {660--668},
doi = {10.1016/j.jcis.2020.10.124},
}
@article{aoki2020neutron,
title={Neutron Reflectometry Tomography for Imaging and Depth Structure Analysis of Thin Films with In-Plane Inhomogeneity},
author={Aoki, Hiroyuki and Ogawa, Hiroki and Takenaka, Mikihito},
journal={Langmuir},
year={2020},
publisher={ACS Publications},
doi={10.1021/acs.langmuir.0c02744},
}
@article{johnson214direction,
title={The direction of influence of specific ion effects on a pH and temperature responsive copolymer brush is dependent on polymer charge},
author={Johnson, Edwin C and Gresham, Isaac J and Prescott, Stuart W and Nelson, Andrew and Wanless, Erica J and Webber, Grant B},
journal={Polymer},
volume={214},
pages={123287},
year={2021},
publisher={Elsevier},
doi={10.1016/j.polymer.2020.123287},
}
@misc{henning2021aluminum,
title={Aluminum Oxide at the Monolayer Limit via Oxidant-free Plasma-Assisted Atomic Layer Deposition on GaN},
author={Henning, Alex and Bartl, Johannes D and Zeidler, Andreas and Qian, Simon and Bienek, Oliver and Jiang, Chang-Ming and Paulus, Claudia and Rieger, Bernhard and Stutzmann, Martin and Sharp, Ian D},
eprint={2102.03642},
archivePrefix={arXiv},
year={2021},
}
@article{gresham2021geometrical,
title={Geometrical Confinement Modulates the Thermoresponse of a Poly (N-isopropylacrylamide) Brush},
author={Gresham, Isaac J and Humphreys, Ben A and Willott, Joshua D and Johnson, Edwin C and Murdoch, Timothy J and Webber, Grant B and Wanless, Erica J and Nelson, Andrew RJ and Prescott, Stuart W},
journal={Macromolecules},
year={2021},
publisher={ACS Publications},
doi={10.1021/acs.macromol.0c02775},
}
@misc{durant2021determining,
title={Determining the maximum information gain and optimising experimental design in neutron reflectometry using the Fisher information},
author={Durant, James H and Wilkins, Lucas and Butler, Keith and Cooper, Joshaniel FK},
archivePrefix={arXiv},
eprint={2103.08973},
year={2021},
}
@article{Gresham:vg5136,
author = {Gresham, Isaac J. and Murdoch, Timothy J. and Johnson, Edwin C. and Robertson, Hayden and Webber, Grant B. and Wanless, Erica J. and Prescott, Stuart W. and Nelson, Andrew R. J.},
title = {Quantifying the robustness of the neutron reflectometry technique for structural characterization of polymer brushes},
journal = {Journal of Applied Crystallography},
year = {2021},
volume = {54},
number = {3},
doi = {10.1107/S160057672100251X},
url = {https://doi.org/10.1107/S160057672100251X},
abstract = {Neutron reflectometry is the foremost technique for {\it in situ} determination of the volume fraction profiles of polymer brushes at planar interfaces. However, the subtle features in the reflectometry data produced by these diffuse interfaces challenge data interpretation. Historically, data analyses have used least-squares approaches that do not adequately quantify the uncertainty of the modeled profile and ignore the possibility of other structures that also match the collected data (multimodality). Here, a Bayesian statistical approach is used that permits the structural uncertainty and multimodality to be quantified for polymer brush systems. A free-form model is used to describe the volume fraction profile, minimizing assumptions regarding brush structure, while only allowing physically reasonable profiles to be produced. The model allows the total volume of polymer and the profile monotonicity to be constrained. The rigor of the approach is demonstrated via a round-trip analysis of a simulated system, before it is applied to real data examining the well characterized collapse of a thermoresponsive brush. It is shown that, while failure to constrain the interfacial volume and consider multimodality may result in erroneous structures being derived, carefully constraining the model allows for robust determination of polymer brush compositional profiles. This work highlights that an appropriate combination of flexibility and constraint must be used with polymer brush systems to ensure the veracity of the analysis. The code used in this analysis is provided, enabling the reproduction of the results and the application of the method to similar problems.},
keywords = {structural characterization, Markov-chain Monte Carlo, uncertainty, diffuse interfaces, multimodality},
}
@article{ronneburg2021solid,
title={Solid Electrolyte Interphase Layer Formation during Lithiation of Single-Crystal Silicon Electrodes with a Protective Aluminum Oxide Coating},
author={Ronneburg, Arne and Silvi, Luca and Cooper, Joshaniel and Harbauer, Karsten and Ballauff, Matthias and Risse, Sebastian},
journal={ACS Applied Materials \& Interfaces},
year={2021},
doi = {10.1021/acsami.1c01725},
publisher={ACS Publications},
}
@article{mironov2021towards,
title={Towards automated analysis for neutron reflectivity},
author={Mironov, Daniil and Durant, James H and Mackenzie, Rebecca and Cooper, Joshaniel FK},
journal={Machine Learning: Science and Technology},
volume={2},
number={3},
pages={035006},
year={2021},
doi={10.1088/2632-2153/abe7b5},
publisher={IOP Publishing},
}
@article{esashi2021influence,
title={Influence of surface and interface roughness on X-ray and extreme ultraviolet reflectance: A comparative numerical study},
author={Esashi, Yuka and Tanksalvala, Michael and Zhang, Zhe and Jenkins, Nicholas W and Kapteyn, Henry C and Murnane, Margaret M},
journal={OSA Continuum},
volume={4},
number={5},
pages={1497--1518},
year={2021},
publisher={Optical Society of America},
}
@article{doucet2021machine,
title={Machine learning for neutron reflectometry data analysis of two-layer thin films},
author={Doucet, Mathieu and Archibald, Richard K and Heller, William T},
journal={Machine Learning: Science and Technology},
volume={2},
number={3},
pages={035001},
year={2021},
publisher={IOP Publishing},
}
@article{kihara2021cellular,
title={Cellular interactions with polystyrene nanoplastics—The role of particle size and protein corona},
author={Kihara, Shinji and Ashenden, Alexander and Kaur, Manmeet and Glasson, Judith and Ghosh, Sunandita and van der Heijden, Nadine and Brooks, Anna ES and Mata, Jitendra P and Holt, Stephen and Domigan, Laura J and others},
journal={Biointerphases},
volume={16},
number={4},
pages={041001},
year={2021},
doi={10.1116/6.0001124},
publisher={American Vacuum Society},
}
@article{boyd2021effect,
title={Effect of nonionic and amphoteric surfactants on salivary pellicles reconstituted in vitro},
author={Boyd, Hannah and Gonzalez-Martinez, Juan F and Welbourn, Rebecca JL and Ma, Kun and Li, Peixun and Gutfreund, Philipp and Klechikov, Alexey and Arnebrant, Thomas and Barker, Robert and Sotres, Javier},
journal={Scientific Reports},
volume={11},
number={1},
pages={1--12},
year={2021},
doi={10.1038/s41598-021-92505-4},
publisher={Nature Publishing Group},
}
@article{bialaslight,
title={Light-Gated Control of Conformational Changes in Polymer Brushes},
author={Bialas, Sabrina and Krappitz, Tim and Walden, Sarah L and Kalayci, Kubra and Kodura, Daniel and Frisch, Hendrik and MacLeod, Jennifer M and Nelson, Andrew and Michalek, Lukas and Barner-Kowollik, Christopher},
journal={Advanced Materials Technologies},
pages={2100347},
year={2021},
doi={10.1002/admt.202100347},
publisher={Wiley Online Library},
}
@article{köhler2021nanostructural,
title={Nanostructural Characterization of Cardiolipin-Containing Tethered Lipid Bilayers Adsorbed on Gold and Silicon Substrates for Protein Incorporation},
author={Köhler, Sebastian and Fragneto, Giovanna and Alcaraz, Jean-Pierre and Nelson, Andrew and Martin, Donald K and Maccarini, Marco},
journal={Langmuir},
year={2021},
doi={10.1021/acs.langmuir.1c00119},
publisher={ACS Publications},
}
@article{andersson2021increasing,
title={Increasing Antibiotic Susceptibility: The Use of Cationic Gold Nanoparticles in Gram-Negative Bacterial Membrane Models},
author={Andersson, Jakob and Fuller, Melanie and Ashenden, Alex and Holt, Stephen A and Köper, Ingo},
journal={Langmuir},
year={2021},
doi={10.1021/acs.langmuir.1c01150},
publisher={ACS Publications},
}
@misc{durant2021optimising,
title={Optimising experimental design in neutron reflectometry},
author={Durant, James H and Wilkins, Lucas and Cooper, Joshaniel FK},
archivePrefix={arXiv},
eprint={2108.05605},
year={2021},
}
@article{gao2021effect,
title={Effect of dendrimer surface groups on the properties of phosphorescent emissive films},
author={Gao, Mile and Jang, Junhyuk and Mai, Van TN and Ranasinghe, Chandana Sampath Kumara and Chu, Ronan and Burn, Paul L and Gentle, Ian R and Pivrikas, Almantas and Shaw, Paul E},
journal={Organic Electronics},
pages={106321},
year={2021},
doi={10.1016/j.orgel.2021.106321},
publisher={Elsevier},
}
@phdthesis{mothander2021grazing,
title={Grazing incidence small angle neutron scattering as a tool to study curved biomembranes on nanostructured surfaces},
author={Mothander, Karolina},
year={2021},
keywords = "GISANS, Reflectometry, Neutron scattering, Phospholipid, supported lipid bilayer, Nanowires, confocal microscopy, QCM-D",
isbn = "978-91-7422-830-4",
school={Lund University},
}
@article{gao2021effect2,
title={Effect of host generation on the luminescent and charge transporting properties of solution processed OLEDs},
author={Gao, Mile and Jang, Junhyuk and Leitner, Tanja and Mai, Van TN and Ranasinghe, Chandana SK and Chu, Ronan and Burn, Paul L and Pivrikas, Almantas and Shaw, Paul E},
journal={Advanced Materials Interfaces},
pages={2100820},
year={2021},
doi={10.1002/admi.202100820},
publisher={Wiley Online Library},
}
@article{hong2021distributions,
title={Distributions of Deuterated Polystyrene Chains in Perforated Layers of Blend Films of a Symmetric Polystyrene-block-poly (methyl methacrylate)},
author={Hong, Jia-Wen and Jian, Yi-Qing and Liao, Yin-Ping and Hung, Hsiang-Ho and Huang, Tzu-Yen and Nelson, Andrew and Tsao, I-Yu and Wu, Chun-Ming and Sun, Ya-Sen},
journal={Langmuir},
year={2021},
doi={10.1021/acs.langmuir.1c02132},
publisher={ACS Publications},
}
@article{bartl2021modular,
title={Modular Assembly of Vibrationally and Electronically Coupled Rhenium Bipyridine Carbonyl Complexes on Silicon},
author={Bartl, Johannes D and Thomas, Christopher and Henning, Alex and Ober, Martina F and Savasci, Gökcen and Yazdanshenas, Bahar and Deimel, Peter S and Magnano, Elena and Bondino, Federica and Zeller, Patrick and others},
journal={Journal of the American Chemical Society},
year={2021},
doi={10.1021/jacs.1c09061},
publisher={ACS Publications},
}
@article{gao2021effect3,
title={Effect of dendron structure on the luminescent and charge transporting properties of solution processed dendrimer-based OLEDs},
author={Gao, Mile and Mai, Van TN and Jang, Junhyuk and Ranasinghe, Chandana Sampath Kumara and Chu, Ronan and Burn, Paul L and Gentle, Ian R and Pivrikas, Almantas and Shaw, Paul E},
journal={Journal of Materials Chemistry C},
year={2021},
doi={10.1039/D1TC03949K},
publisher={Royal Society of Chemistry},
}
@article{ikami2021multilayered,
title={Multilayered Lamellar Materials and Thin Films by Instant Self-Assembly of Amphiphilic Random Copolymers},
author={Ikami, Takaya and Watanabe, Yuki and Ogawa, Hiroki and Takenaka, Mikihito and Yamada, Norifumi L and Ouchi, Makoto and Aoki, Hiroyuki and Terashima, Takaya},
journal={ACS Macro Letters},
volume={10},
pages={1524--1528},
year={2021},
doi={10.1021/acsmacrolett.1c00571},
publisher={ACS Publications},
}
@article{aoki2021deep,
title={Deep learning approach for an interface structure analysis with a large statistical noise in neutron reflectometry},
author={Aoki, Hiroyuki and Liu, Yuwei and Yamashita, Takashi},
journal={Scientific Reports},
volume={11},
number={1},
pages={1--9},
year={2021},
doi={10.1038/s41598-021-02085-6},
publisher={Nature Publishing Group},
}
@article{saadeh2021time,
title={Time-frequency analysis assisted determination of ruthenium optical constants in the sub-EUV spectral range 8 nm--23.75 nm},
author={Saadeh, Qais and Naujok, Philipp and Philipsen, Vicky and H{\"o}nicke, Philipp and Laubis, Christian and Buchholz, Christian and Andrle, Anna and Stadelhoff, Christian and Mentzel, Heiko and Sch{\"o}nstedt, Anja and others},
journal={Optics Express},
volume={29},
number={25},
pages={40993--41013},
year={2021},
doi={10.1364/OE.426029},
publisher={Optical Society of America},
}
@incollection{holt2022using,
title={Using refnx to Model Neutron Reflectometry Data from Phospholipid Bilayers},
author={Holt, Stephen A and Oliver, Tara E and Nelson, Andrew RJ},
booktitle={Membrane Lipids},
pages={179--197},
year={2022},
doi={10.1007/978-1-0716-1843-1_15},
publisher={Springer},
}
@article{ferrie2021sliding,
title={Sliding Silicon-based Schottky diodes: Maximizing Triboelectricity with Surface Chemistry},
author={Ferrie, Stuart and Le Brun, Anton P and Krishnan, Gowri and Anderson, Gunther and Darwish, Nadim and Ciampi, Simone},
journal={Nano Energy},
pages={106861},
year={2021},
doi={10.1016/j.nanoen.2021.106861},
publisher={Elsevier},
}
@article{mccoy2021spontaneous,
title={Spontaneous surface adsorption of aqueous graphene oxide by synergy with surfactants},
author={McCoy, Thomas Malcolm and Armstrong, Alexander J and Moore, Jackson E and Holt, Stephen and Tabor, Rico and Routh, Alexander},
journal={Physical Chemistry Chemical Physics},
year={2021},
doi={10.1039/D1CP04317J},
publisher={Royal Society of Chemistry},
}
@article{ferron2022characterization,
title={Characterization of the Interfacial Orientation and Molecular Conformation in a Glass-Forming Organic Semiconductor},
author={Ferron, Thomas J and Thelen, Jacob L and Bagchi, Kushal and Deng, Chuting and Gann, Eliot and de Pablo, Juan J and Ediger, MD and Sunday, Daniel F and DeLongchamp, Dean M},
journal={ACS Applied Materials \& Interfaces},
year={2022},
doi={10.1021/acsami.1c19948},
publisher={ACS Publications},
}
@article{gonzalez2022muc5b,
title={MUC5B mucin films under mechanical confinement: a combined neutron reflectometry and atomic force microscopy study},
author={Gonzalez-Martinez, Juan F and Boyd, Hannah and Gutfreund, Philipp and Welbourn, Rebecca JL and Robertsson, Carolina and Wickstr{\"o}m, Claes and Arnebrant, Thomas and Richardson, Robert M and Prescott, Stuart W and Barker, Robert and others},
journal={Journal of Colloid and Interface Science},
year={2022},
doi={10.1016/j.jcis.2022.01.096},
publisher={Elsevier},
}
@article{hong2022chain,
title={Chain Length Effects of Added Homopolymers on the Phase Behavior in Blend Films of a Symmetric, Weakly Segregated Polystyrene-block-poly (methyl methacrylate)},
author={Hong, Jia-Wen and Chang, Jung-Hong and Hung, Hsiang-Ho and Liao, Yin-Ping and Jian, Yi-Qing and Chang, Iris Ching-Ya and Huang, Tzu-Yen and Nelson, Andrew and Lin, I-Ming and Chiang, Yeo-Wan and others},
journal={Macromolecules},
year={2022},
doi={10.1021/acs.macromol.1c02167},
publisher={ACS Publications},
}
@article{jiang2022parameter,
title={Parameter estimation for X-ray scattering analysis with Hamiltonian Markov Chain Monte Carlo},
author={Jiang, Zhang and Wang, Jin and Tirrell, Matthew V and de Pablo, Juan J and Chen, Wei},
journal={Journal of Synchrotron Radiation},
volume={29},
number={3},
year={2022},
doi={10.1107/S1600577522003034},
publisher={International Union of Crystallography},
}
@article{JIN2022106594,
title = {Power losses in conventional and inverted non-polymeric Donor:Fullerene bulk heterojunction solar cells - The role of vertical phase separation in BQR:PC71BM blends},
journal = {Organic Electronics},
pages = {106594},
year = {2022},
issn = {1566-1199},
doi = {https://doi.org/10.1016/j.orgel.2022.106594},
url = {https://www.sciencedirect.com/science/article/pii/S1566119922001665},
author = {Hui Jin and Xiao Wang and Ronan Chu and Jegadesan Subbiah and David J. Jones and Andrew R.J. Nelson and Ian R. Gentle and Paul L. Burn and Paul E. Shaw},
abstract = {The performance of bulk heterojunction (BHJ) organic solar cells can be affected by a range of factors including the materials combination, processing solvent, post deposition annealing, and/or whether they are used in a conventional or inverted architecture. In this study we compared conventional and inverted BHJ solar cells composed of a non-polymeric donor (5Z,5′Z)‐5,5'‐[(5‴,5‴''''‐{4,8‐bis[5‐(2‐ethylhexyl)‐4‐n-hexylthiophen‐2‐yl]benzo[1,2‐b:4,5‐b']dithiophene‐2,6‐diyl}bis{3′,3'',3‴‐trihexyl‐[2,2':5′,2'':5'',2‴‐quaterthiophene]‐5‴,5‐diyl})bis(methanylylidene)]bis[3‐n-hexyl‐2‐thioxothiazolidin‐4‐one] (BQR) and (Zheng et al., 2022; Zheng et al., 2022) [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM) as the acceptor. It was found that the conventional device structure had power conversion efficiencies two and a half times that of the inverted device, 9.0% versus 4.0%. Through a combination of Shockley equivalent circuit fitting, optical modelling, and light intensity dependence photocurrent measurements we identified that the origin of the power losses for the inverted architecture relative to the conventional device structure arose from a larger component of bimolecular recombination. Neutron reflectometry measurements showed that the origin of the larger bimolecular recombination losses for the inverted device was due to the PC71BM phase separating, with a PC71BM rich layer located near the anode reducing the hole extraction efficiency.},
}
@article{rahpeima2022electro,
title={Electro-polymerization rates of diazonium salts are dependent on the crystal orientation of the surface},
author={Rahpeima, Soraya and Le Brun, Anton and Raston, Colin L and Darwish, Nadim},
journal={Journal of Colloid and Interface Science},
year={2022},
doi = {https://doi.org/10.1016/j.jcis.2022.07.014},
publisher={Elsevier},
}
@article{dief2021spontaneous,
title={Spontaneous Grafting of OH-Terminated Molecules on Si- H Surfaces via Si--O--C Covalent Bonding},
author={Dief, Essam M and Brun, Anton P Le and Ciampi, Simone and Darwish, Nadim},
journal={Surfaces},
volume={4},
number={1},
pages={81--88},
year={2021},
doi = {https://doi.org/10.3390/surfaces4010010},
publisher={MDPI},
}
@phdthesis{cheema2022development,
title={Development of electrochemical biosensors using insect odorant receptors},
author={Cheema, Jamal Ahmed},
year={2022},
school={ResearchSpace@ Auckland},
}
@article{milsom2022evolution,
title={The evolution of surface structure during simulated atmospheric ageing of nano-scale coatings of an organic surfactant aerosol proxy},
author={Milsom, Adam and Squires, Adam M and Skoda, Maximilian WA and Gutfreund, Philipp and Mason, Eleonore and Terrill, Nicholas J and Pfrang, Christian},
journal={Environmental Science: Atmospheres},
year={2022},
doi = {https://doi.org/10.1039/D2EA00011C },
publisher={Royal Society of Chemistry},
}
@article{greco2022neural,
title={Neural network analysis of neutron and X-ray reflectivity data: automated analysis using mlreflect, experimental errors and feature engineering},
author={Greco, Alessandro and Starostin, Vladimir and Edel, Evelyn and Munteanu, Valentin and Ru{\ss}egger, Nadine and Dax, Ingrid and Shen, Chen and Bertram, Florian and Hinderhofer, Alexander and Gerlach, Alexander and others},
journal={Journal of applied crystallography},
volume={55},
number={2},
pages={362--369},
year={2022},
doi={https://doi.org/10.1107/S1600576722002230},
publisher={International Union of Crystallography},
}
@article{tassler2022surface,
title={Surface behaviour of 1-alkyl-3-methylimidazolium ionic liquids at the air-water-interface},
author={Ta{\ss}ler, Stephanie and Bonatout, Nathalie and Eus{\'e}bio, Tiago M and Valente, Raquel M and Rego, Tom{\'a}s and Ibrahim, Helen and Morgado, Pedro and Filipe, Eduardo JM and Goldmann, Michel and Fontaine, Philippe},
journal={Journal of Molecular Liquids},
pages={121028},
year={2022},
publisher={Elsevier},
}
@phdthesis{loch2022luminescent,
title={Luminescent materials for the rapid and sensitive detection of low volatility illicit street drugs},
author={Loch, Alex Samuel},
year={2022},
doi={https://doi.org/10.14264/bf1858e},
school={University of Queensland},
}
@Misc{https://doi.org/10.48550/arxiv.2207.10406,
author = {McCluskey, Andrew R. and Caruana, Andrew J. and Kinane, Christy J. and Armstrong, Alexander J. and Arnold, Tom and Cooper, Joshaniel F. K. and Cortie, David L. and Hughes, Arwel V. and Moulin, Jean-François and Nelson, Andrew R. J. and Potrzebowski, Wojciech and Straostin, Vladimir},
title = {Advice on describing Bayesian analysis of neutron and X-ray reflectometry},
year = {2022},
copyright = {Creative Commons Attribution Share Alike 4.0 International},
doi = {10.48550/ARXIV.2207.10406},
keywords = {Applications (stat.AP), Materials Science (cond-mat.mtrl-sci), Soft Condensed Matter (cond-mat.soft), FOS: Computer and information sciences, FOS: Computer and information sciences, FOS: Physical sciences, FOS: Physical sciences},
publisher = {arXiv},
url = {https://arxiv.org/abs/2207.10406},
}
@article{turpin2022investigating,
title={Investigating Adsorption of Cellulose Nanocrystals at Air--Liquid and Solid--Liquid Interfaces in the Presence of Hydrotropes},
author={Turpin, Geosmin A and Nelson, Andrew and Holt, Stephen A and Giles, Luke W and Milogrodzka, Izabela and Teo, Boon M and Raghuwanshi, Vikram S and Horn, Roger G and van't Hag, Leonie and Tabor, Rico F},
journal={Advanced Materials Interfaces},
pages={2200791},
volume={9},
doi={https://doi.org/10.1002/admi.202200791},
year={2022},
}
@article{marevcek2022faster,
title={Faster and lower-dose X-ray reflectivity measurements enabled by physics-informed modeling and artificial intelligence co-refinement},
author={Mare{\v{c}}ek, David and Oberreiter, Julian and Nelson, Andrew and Kowarik, Stefan},
journal={Journal of Applied Crystallography},
volume={55},
number={5},
pages={1305--1313},
doi={https://doi.org/10.1107/S1600576722008056},
year={2022},
publisher={International Union of Crystallography},
}
@article{GRESHAM2022,
title = {Effect of surfactants on the thermoresponse of PNIPAM investigated in the brush geometry},
journal = {Journal of Colloid and Interface Science},
year = {2022},
issn = {0021-9797},
doi = {https://doi.org/10.1016/j.jcis.2022.10.071},
url = {https://www.sciencedirect.com/science/article/pii/S002197972201832X},
author = {Isaac J. Gresham and Joshua D. Willott and Edwin C. Johnson and Peixun Li and Grant B. Webber and Erica J. Wanless and Andrew R.J. Nelson and Stuart W. Prescott},
keywords = {poly(-isopropylacrylamide), polymer brushes, sodium dodecylsulfate, surfactants, responsive polymers},
abstract = {Hypothesis
Anionic surfactants have been reported to interact with poly(N-isopropyl acrylamide) (PNIPAM), suppressing its thermoresponse. Scattering and NMR studies of the anionic sodium dodecylsulfate (SDS) system propose that the PNIPAM-surfactant interaction is purely hydrophobic. However, prior phenomenological investigations of a range of surfactant identities (anionic, cationic, nonionic) show that only anionic surfactants affect the thermoresponse and conformation of PNIPAM, implying that the hydrophilic head–group also contributes. Crucially, the phenomenological experiments do not measure the affinity of the tested surfactants to the polymer, only their effect on its behaviour.
Experiments
We study the adsorption of six surfactants within a planar PNIPAM brush system, elucidating the polymer conformation, thermoresponse, and surfactant adsorption kinetics using ellipsometry, neutron reflectometry (NR), optical reflectometry and the quartz crystal microbalance technique. NR is used to measure the distribution of surfactants within the brush.
Findings
We find that only anionic surfactants modify the structure and thermoresponse of PNIPAM, with the greater affinity of anionic surfactants for PNIPAM (relative to cationic and nonionic surfactants) being the primary reason for this behaviour. These results show that the surfactant head–group has a more critical role in mediating PNIPAM-surfactant interaction than previously reported. Taking inspiration from prior molecular dynamics work on the PEO-surfactant system, we propose an interaction mechanism for PNIPAM and SDS that reconciles evidence for hydrophobic interaction with the observed head–group-dependent affinity.},
}
@article{imai2022water,
title={Water-Assisted Microphase Separation of Cationic Random Copolymers into Sub-5 nm Lamellar Materials and Thin Films},
author={Imai, Sahori and Arakawa, Masato and Nakanishi, Yohei and Takenaka, Mikihito and Aoki, Hiroyuki and Ouchi, Makoto and Terashima, Takaya},
journal={Macromolecules},
year={2022},
volume={55},
pages={9113-9125},
doi={https://doi.org/10.1021/acs.macromol.2c01287},
publisher={ACS Publications},
}
@article{robertson2022refellips,
title={refellips: A Python package for the analysis of variable angle spectroscopic ellipsometry data},
author={Robertson, Hayden and Gresham, Isaac J and Prescott, Stuart W and Webber, Grant B and Wanless, Erica J and Nelson, Andrew},
journal={SoftwareX},
volume={20},
pages={101225},
year={2022},
doi={https://doi.org/10.1016/j.softx.2022.101225},
publisher={Elsevier},
}
@Article{Brun2023,
author = {Anton Le Brun and Tzu-Yen Huang and Stewart Pullen and Andrew Nelson and James Spedding and Stephen Holt},
title = {Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor},
journal = {Journal of Applied Crystallography},
year = {2023},
volume = {56},
doi = {https://doi.org/10.1107/S160057672201086X},
}
@article{saadeh2022optical,
title={On the optical constants of cobalt in the M-absorption edge region},
author={Saadeh, Qais and Naujok, Philipp and Thakare, Devesh and Wu, Meiyi and Philipsen, Vicky and Scholze, Frank and Buchholz, Christian and Salami, Zanyar and Abdulhadi, Yasser and Garc{\'\i}a, Danilo Oca{\~n}a and others},
journal={Optik},
pages={170455},
year={2022},
doi={10.1016/j.ijleo.2022.170455},
publisher={Elsevier},
}
@article{causertopical,
title={Topical review of quantum materials and heterostructures studied by polarized neutron reflectometry},
author={Causer, Grace L and Guasco, Laura and Paull, Oliver and Cortie, David},
journal={physica status solidi (RRL)--Rapid Research Letters},
publisher={Wiley Online Library},
year={2022},
doi={https://doi.org/10.1002/pssr.202200421},
}
@article{brearton2022islatu,
title={islatu: A Python package for the reduction of reflectometry data},
author={Brearton, Richard and McCluskey, Andrew and Snow, Tim},
journal={Journal of Open Source Software},
volume={7},
number={77},
pages={4397},
year={2022},
doi={10.21105/joss.04397},
}
@article{cho2022thin,
title={Thin Film Characterization via Synchrotron X-ray Experiments: XRR-TXRF, GIWAXS, 3D RSM},
author={Cho, In Hwa and Kim, Hyo Jung},
journal={Applied Science and Convergence Technology},
volume={31},
number={6},
pages={128--132},
year={2022},
url={https://www.dbpia.co.kr/Journal/articleDetail?nodeId=NODE11173635},
}
@article{ibrahim2023structural,
title={Structural Insights on Ionizable Dlin-MC3-DMA Lipids in DOPC Layers by Combining Accurate Atomistic Force Fields, Molecular Dynamics Simulations and Neutron Reflectivity},
author={Ibrahim, Mohd and Gilbert, Jennifer and Heinz, Marcel and Nylander, Tommy and Schwierz, Nadine},
journal={bioRxiv},
pages={2023--02},
year={2023},
doi={https://doi.org/10.1101/2023.02.28.529897},
publisher={Cold Spring Harbor Laboratory}
}
@article{vagias2023topology,
title={The Topology of Polymer Brushes Determines Their Nanoscale Hydration},
author={Vagias, A and Nelson, A and Wang, P and Reitenbach, J and Geiger, C and Kreuzer, LP and Saerbeck, T and Cubitt, R and Benetti, EM and M{\"u}ller-Buschbaum, P},
journal={Macromolecular Rapid Communications},
pages={2300035},
year={2023},
doi={https://doi.org/10.1002/marc.202300035},
publisher={Wiley Online Library}
}
@article{eby2023extraction,
title={Extraction of Interaction Parameters from Specular Neutron Reflectivities in Thin Films of Diblock Copolymers: An “Inverse Problem”},
author={Eby, Dustin and Jakowski, Mikolaj and Lauter, Valeria and Doucet, Mathieu and Ganesh, Panchapakesan and Fuentes-Cabrera, Miguel and Kumar, Rajeev},
journal={Nanoscale},
year={2023},
publisher={Royal Society of Chemistry}
}
@article{higgins2023equilibration,
title={Equilibration and thermal reversibility in mixtures of model OPV small-molecules and polymers},
author={Higgins, Anthony Martin and Gutfreund, Philipp and Italia, Valeria and Hynes, Elizabeth L},
journal={Journal of Materials Chemistry C},
year={2023},
publisher={Royal Society of Chemistry}
}
@Article{Robertson2023a,
author = {Hayden Robertson and Andrew R. J. Nelson and Stuart W. Prescott and Grant B. Webber and Erica J. Wanless},
title = {Cosolvent effects on the structure and thermoresponse of a polymer brush: PNIPAM in DMSO–water mixtures},
journal = {Polymer Chemistry},
year = {2023},
doi = {10.1039/D2PY01487D},
}
@Article{Turpin,
author = {Geosmin A. Turpin and Andrew Nelson and Stephen A. Holt and Luke W. Giles and Izabela Milogrodzka and Roger G. Horn and Rico F. Tabor, and Leonie van’t Hag},
title = {Investigating Adsorption of Cellulose Nanocrystals at Air–Liquid and Substrate–Liquid Interfaces after pH Manipulation},
journal = {Advanced Materials Interfaces},
year = {2023},
number = {2202452},
doi = {10.1002/admi.202202452},
}
@article{doi:10.1021/acs.jpcb.2c07252,
author = {Andersson, Jakob and Kleinheinz, David and Ramach, Ulrich and Kiesenhofer, Nikolaus and Ashenden, Alex and Valtiner, Markus and Holt, Stephen and Koeper, Ingo and Schmidpeter, Philipp A. M. and Knoll, Wolfgang},
title = {Native Function of the Bacterial Ion Channel SthK in a Sparsely Tethered Lipid Bilayer Membrane Architecture},
journal = {The Journal of Physical Chemistry B},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.jpcb.2c07252},
note ={PMID: 37072125},
URL = {https://doi.org/10.1021/acs.jpcb.2c07252},
eprint = {https://doi.org/10.1021/acs.jpcb.2c07252}
}
@article{correa2023high,
title={High-Density Lipoprotein Function is Modulated by the SARS-CoV-2 Spike Protein in a Lipid-Type Dependent Manner},
author={Correa, Yubexi and Del Giudice, Rita and Waldie, Sarah and Th{\'e}paut, Michel and Micciula, Samantha and Gerelli, Yuri and Moulin, Martine and Delaunay, Clara and Fieschi, Franck and Pichler, Harald and others},
journal={Journal of Colloid and Interface Science},
year={2023},
doi = {https://doi.org/10.1016/j.jcis.2023.04.137},
publisher={Elsevier}
}
@article{bryant2023insights,
title={Insights into Chemical Interactions and Related Toxicities of Deep Eutectic Solvents with Mammalian Cells Observed Using Synchrotron Macro--ATR--FTIR Microspectroscopy},
author={Bryant, Saffron J and Shaw, ZL and Huang, Louisa ZY and Elbourne, Aaron and Abraham, Amanda N and Vongsvivut, Jitraporn and Holt, Stephen A and Greaves, Tamar L and Bryant, Gary},
journal={Biophysica},
volume={3},
number={2},
pages={318--336},
year={2023},
doi={10.3390/biophysica3020021},
publisher={Multidisciplinary Digital Publishing Institute}
}
@article{Katselas2023,
author = {Katselas, Anthony and Gresham, Isaac J. and Nelson, Andrew R. J. and Neto, Chiara},
title = "{Exploring the water capture efficiency of covalently attached liquid-like surfaces}",
journal = {The Journal of Chemical Physics},
volume = {158},
number = {21},
year = {2023},
month = {06},
abstract = "{The capture of moisture from the atmosphere through condensation has the potential to provide a sustainable source of water. Here, we investigate the condensation of humid air at low subcooling condition (11 °C), similar to conditions for natural dew capture, and explore how water contact angle and contact angle hysteresis affect the rates of water capture. We compare water collection on three families of surfaces: (i) hydrophilic (polyethylene oxide, MPEO) and hydrophobic (polydimethylsiloxane, PDMS) molecularly thin coatings grafted on smooth silicon wafers, which produce slippery covalently attached liquid surfaces (SCALSs), with low contact angle hysteresis (CAH = 6°); (ii) the same coatings grafted on rougher glass, with high CAH (20°–25°); (iii) hydrophilic polymer surfaces [poly(N-vinylpyrrolidone), PNVP] with high CAH (30°). Upon exposure to water, the MPEO SCALS swell, which likely further increases their droplet shedding ability. MPEO and PDMS coatings collect similar volume of water (around 5 l m−2 day−1), both when they are SCALS and non-slippery. Both MPEO and PDMS layers collect about 20\\% more water than PNVP surfaces. We present a basic model showing that, under low heat flux conditions, on all MPEO and PDMS layers, the droplets are so small (600–2000 µm) that there is no/low heat conduction resistance across the droplets, irrespective of the exact value of contact angle and CAH. As the time to first droplet departure is much faster on MPEO SCALS (28 min) than on PDMS SCALS (90 min), slippery hydrophilic surfaces are preferable in dew collection applications where the collection time frame is limited.}",
issn = {0021-9606},
doi = {10.1063/5.0146847},
url = {https://doi.org/10.1063/5.0146847},
note = {214708},
eprint = {https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0146847/17964422/214708\_1\_5.0146847.pdf},
}
@article{Nguyen2023,
author = {Nguyen, Ky V. and Gluschke, Jan G. and Mostert, A. Bernardus and Nelson, Andrew and Burwell, Gregory and Lyttleton, Roman W. and Cavaye, Hamish and Welbourn, Rebecca J.L. and Seidl, Jakob and Lagier, Maxime and Miranda, Marta Sanchez and McGettrick, James D. and Watson, Trystan and Meredith, Paul and Micolich, Adam P.},
title = {The Effect of Direct Electron Beam Patterning on the Water Uptake and Ionic Conductivity of Nafion Thin Films},
journal = {Advanced Electronic Materials},
year = {2023},
pages = {2300199},
keywords = {bioelectronics, electron-beam patterning, ionic conductivity, nafion, neuromorphic computing},
doi = {https://doi.org/10.1002/aelm.202300199},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/aelm.202300199},
eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/aelm.202300199},
abstract = {Abstract The effect of electron-beam patterning on the water uptake and ionic conductivity of Nafion films using a combination of X-ray photoelectron spectroscopy, quartz crystal microbalance studies, neutron reflectometry, and impedance spectroscopy is reported. The aim is to further characterize the nanoscale patterned Nafion structures recently used as a key element in novel ion-to-electron transducers by Gluschke et al. To enable this, the electron beam patterning process is developed for large areas, achieving patterning speeds approaching 1 cm2 h−1, and patterned areas as large as 7 cm2 for the neutron reflectometry studies. It is ultimately shown that electron-beam patterning affects both the water uptake and the ionic conductivity, depending on film thickness. Type-II adsorption isotherm behavior is seen for all films. For thick films (≈230 nm), a strong reduction in water uptake with electron-beam patterning is found. In contrast, for thin films (≈30 nm), electron-beam patterning enhances water uptake. Notably, for either thickness, the reduction in ionic conductivity arising from electron-beam patterning is kept to less than an order of magnitude. Mechanisms are proposed for the observed behavior based on the known complex morphology of Nafion films to motivate future studies of electron-beam processed Nafion.}
}
@misc{gilbert2023interactions,
title={On the interactions between RNA and titrateable lipid layers: Implications for RNA delivery with lipid nanoparticles},
author={Gilbert, Jennifer and Ermilova, Inna and Fornasier, Marco and Skoda, Maximilian and Fragneto, Giovanna and Swenson, Jan and Nylander, Tommy},
year={2023},
doi={10.26434/chemrxiv-2023-27ndz},
}
@article{doi:10.1021/acs.langmuir.3c01091,
author = {Liu, Yuwei and Miyata, Noboru and Miyazaki, Tsukasa and Shundo, Atsuomi and Kawaguchi, Daisuke and Tanaka, Keiji and Aoki, Hiroyuki},
title = {Neutron Reflectometry Analysis of Condensed Water Layer Formation at a Solid Interface of Epoxy Resins Under High Humidity},
journal = {Langmuir},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.langmuir.3c01091},
note ={PMID: 37342903},
URL = {https://doi.org/10.1021/acs.langmuir.3c01091},
eprint = {https://doi.org/10.1021/acs.langmuir.3c01091}
}
@article{doi:10.1021/jacsau.3c00168,
author = {Ferron, Thomas J. and Fiori, Marie E. and Ediger, M. D. and DeLongchamp, Dean M. and Sunday, Daniel F.},
title = {Composition Dictates Molecular Orientation at the Heterointerfaces of Vapor-Deposited Glasses},
journal = {JACS Au},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/jacsau.3c00168},
URL = {https://doi.org/10.1021/jacsau.3c00168},
eprint = {https://doi.org/10.1021/jacsau.3c00168}
}
@article{warias2023photoinduced,
title={Photoinduced bidirectional switching in lipid membranes containing azobenzene glycolipids},
author={Warias, Jonas E and Reise, Franziska and H{\"o}velmann, Svenja C and Giri, Rajendra P and R{\"o}hrl, Michael and Kuhn, Jule and Jacobsen, Malte and Chatterjee, Kuntal and Arnold, Thomas and Shen, Chen and others},
journal={Scientific Reports},
volume={13},
number={1},
pages={11480},
year={2023},
doi={10.1038/s41598-023-38336-x},
publisher={Nature Publishing Group UK London}
}
@article{https://doi.org/10.1002/anie.202308008,
author = {Gresham, Isaac and Lilley, Seamus and Nelson, Andrew and Koynov, Kaloian and Neto, Chiara},
title = {Nanostructure Explains the Behavior of Slippery Covalently Attached Liquid Surfaces},
journal = {Angewandte Chemie International Edition},
year = {2023},
pages = {e202308008},
keywords = {slippery surfaces, droplet mobility, self-assembled monolayers, polymer brush, single-molecule force spectroscopy},
doi = {https://doi.org/10.1002/anie.202308008},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202308008},
eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/anie.202308008},
abstract = {Slippery covalently-attached liquid surfaces (SCALS) with low contact angle hysteresis (CAH, <5◦) and nanoscale thickness display impressive anti-adhesive properties, similar to lubricant-infused surfaces. Their efficacy is generally attributed to the liquid-like mobility of the constituent tethered chains. However, the precise physico-chemical properties that facilitate this mobility are unknown, hindering rational design. This work quantifies the chain length, grafting density, and microviscosity of a range of polydimethylsiloxane (PDMS) SCALS, elucidating the nanostructure responsible for their properties. Three prominent methods are used to produce SCALS, with characterization carried out via single-molecule force measurements, neutron reflectometry, and fluorescence correlation spectroscopy. CO2 snow-jet cleaning was also shown to reduce the CAH of SCALS via a modification of their grafting density. SCALS behavior can be predicted by reduced grafting density, Σ, with the lowest water CAH achieved at Σ ≈ 2. This study provides the first direct examination of SCALS grafting density, chain length, and microviscosity and supports the hypothesis that SCALS properties stem from a balance of layer uniformity and mobility.}
}
@article{grava2023combining,
title={Combining molecular dynamics simulations and X-ray scattering techniques for the accurate treatment of protonation degree and packing of ionizable lipids in monolayers},
author={Grava, Miriam and Ibrahim, Mohd and Sudarsan, Akhil and Pusterla, Julio and Philipp, Julian and Raedler, Joachim O and Schwierz, Nadine and Schneck, Emanuel},
journal={bioRxiv},
pages={2023--08},
year={2023},
publisher={Cold Spring Harbor Laboratory}
}
@article{uyama2023microscopic,
title={Microscopic Analysis of the Water/Glycerol/EO30PS System in Bulk and on a Solid Substrate},
author={Uyama, Makoto and Steitz, Roland and Trapp, Marcus and Noirez, Laurence and Bayer, Sebastian and Gradzielski, Michael},
journal={Langmuir},
doi={10.1021/acs.langmuir.3c01490},
year={2023},
publisher={ACS Publications}
}
@article{robertson2023b,
author = {Robertson, Hayden and Elliott, Gareth R. and Nelson, Andrew R. J. and Le Brun, Anton P. and Webber, Grant B. and Prescott, Stuart W. and Craig, Vincent S. J. and Wanless, Erica J. and Willott, Joshua D.},
title = {Underscreening in concentrated electrolytes: re-entrant swelling in polyelectrolyte brushes},
journal = {Physical Chemistry Chemical Physics},
volume = {n/a},
number = {n/a},
year = {2023},
doi = {https://doi.org/10.1039/d3cp02206d},
abstract = {Hypersaline environments are ubiquitous in nature and are found in myriad technological processes. Recent empirical studies have revealed a significant discrepancy between the predicted and observed screening lengths at high salt concentrations, a phenomenon referred to as underscreening. Herein we investigate underscreening using a cationic polyelectrolyte brush as an exemplar. Poly(2-(methacryloyloxy)ethyl)trimethylammonium (PMETAC) brushes were synthesised and their internal structural changes and swelling response monitored with neutron reflectometry and spectroscopic ellipsometry. Both techniques revealed a monotonic brush collapse as the concentration of symmetric monovalent electrolyte increased. However, a non-monotonic change in brush thickness was observed in all multivalent electrolytes at higher electrolyte concentrations, known as re-entrant swelling; indicative of underscreening. For all electrolytes, numerical self-consistent field theory predictions align with experimental studies in the low salt concentration (Debye–Hu ̈ckel) region. Analysis suggests that the classical theory of electrolytes is insufficient to describe the screening lengths observed at high salt concentrations and that the re-entrant polyelectrolyte brush swelling in the high salt concentration region is consistent with regular underscreening.}
}
@article{bulut2023diblock,
title={Diblock copolymer pattern protection by silver cluster reinforcement},
author={Bulut, Yusuf and Sochor, Benedikt and Harder, Constantin and Reck, Kristian Amand and Drewes, Jonas and Xu, Zhuijun and Jiang, Xiongzhuo and Meinhardt, Alexander and Jeromin, Arno and Kohantorabi, Mona and others},
journal={Nanoscale},
year={2023},
doi={10.1039/D3NR03215A},
publisher={Royal Society of Chemistry},
}
@article{neville2023interactions,
title={Interactions of Choline and Geranate (CAGE) and Choline Octanoate (CAOT) Deep Eutectic Solvents with Lipid Bilayers},
author={Neville, George M and Dobre, Ana-Maria and Smith, Gavin J and Micciulla, Samantha and Brooks, Nick J and Arnold, Thomas and Welton, Tom and Edler, Karen J},
journal={Advanced Functional Materials},
pages={2306644},
year={2023},
doi={10.1002/adfm.202306644},
publisher={Wiley Online Library}
}
@article{lai2023polysaccharide,
title={Polysaccharide-Targeting Lipid Nanoparticles to Kill Gram-Negative Bacteria},
author={Lai, Xiangfeng and Chow, Seong Hoong and Le Brun, Anton P and Muir, Benjamin W and Bergen, Phillip J and White, Jacinta and Yu, Heidi H and Wang, Jiping and Danne, Jill and Jiang, Jhih-hang and others},
journal={Small},
pages={2305052},
year={2023},
doi={10.1002/smll.202305052},
publisher={Wiley Online Library}
}
@article{mallo2023effect,
title={The effect of fluorination on the low and high frequency dielectric constants of non-polymeric organic semiconductors--towards homojunction solar cells},
author={Mallo, Neil and McAnally, Shaun and Chu, Ronan and Babazadeh, Mohammad and Jin, Hui and Burn, Paul L and Gentle, Ian R and Shaw, Paul E},
journal={Journal of Materials Chemistry C},
year={2023},
doi={10.1039/D3TC02740F},
publisher={Royal Society of Chemistry}
}
@article{GRESHAM2023,
title = {Comparing polymer-surfactant complexes to polyelectrolytes},
journal = {Journal of Colloid and Interface Science},
year = {2023},
issn = {0021-9797},
doi = {https://doi.org/10.1016/j.jcis.2023.10.101},
url = {https://www.sciencedirect.com/science/article/pii/S0021979723020349},
author = {Isaac J. Gresham and Edwin C. Johnson and Hayden Robertson and Joshua D. Willott and Grant B. Webber and Erica J. Wanless and Andrew R.J. Nelson and Stuart W. Prescott},
keywords = {poly(N-isopropylacrylamide), polymer brushes, sodium dodecylsulfate, surfactants, responsive polymers, electrolyte},
abstract = {Hypothesis
Understanding the complex interactions between polymers and surfactants is required to optimise commercially relevant systems such as paint, toothpaste and detergent. Neutral polymers complex with surfactants, forming ‘pearl necklace’ structures that are often conceptualised as pseudo-polyelectrolytes. Here we pose two questions to test the limits of this analogy: Firstly, in the presence of salt, do these polymer-surfactant systems behave like polyelectrolytes? Secondly, do polymer-surfactant complexes resist geometric confinement like polyelectrolytes?
Experiments
We test the limits of the pseudo-polyelectrolyte analogy through studying a poly(N-isopropylacrylamide) (PNIPAM) brush in the presence of sodium dodecylsulfate (SDS). Brushes are ideal for interrogating pseudo-polyelectrolytes, as neutral and polyelectrolyte brushes exhibit distinct and well understood behaviours. Spectroscopic ellipsometry, quartz crystal microbalance with dissipation monitoring (QCM-D), and neutron reflectometry (NR) were used to monitor the behaviour and structure of the PNIPAM-SDS system as a function of NaCl concentration. The ability of the PNIPAM-SDS complex to resist geometric confinement was probed with NR.
Findings
At a fixed SDS concentration below the zero-salt CMC, increasing NaCl concentration Image 1 promoted brush swelling due to an increase in osmotic pressure, not dissimilar to a weak polyelectrolyte. At these salt concentrations, the swelling of the brush could be described by a single parameter: the effective CMC. However, at high NaCl concentrations (e.g., Image 2) no brush collapse was observed at all (non-zero) concentrations of SDS studied, contrary to what is seen for many polyelectrolytes. Study of the polymer-surfactant system under confinement revealed that the physical volume of surfactant dominates the structure of the strongly confined system, which further differentiates it from the polyelectrolyte case.}
}
@article{doi:10.1021/acsami.3c11767,
author = {Lankage, Upeksha Mirissa and Holt, Stephen A. and Bridge, Samara and Cornell, Bruce and Cranfield, Charles G.},
title = {Triglyceride-Tethered Membrane Lipase Sensor},
journal = {ACS Applied Materials \& Interfaces},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acsami.3c11767},
note ={PMID: 37931023},
URL = {https://doi.org/10.1021/acsami.3c11767},
eprint = {https://doi.org/10.1021/acsami.3c11767}
}
@article{DOLORESMERCHAN2023,
title = {Structure of graphene oxide-phospholipid monolayers: A grazing incidence X-ray diffraction and neutron and X-ray reflectivity study},
journal = {Journal of Colloid and Interface Science},
year = {2023},
issn = {0021-9797},
doi = {10.1016/j.jcis.2023.11.022},
url = {https://www.sciencedirect.com/science/article/pii/S0021979723021227},
author = {M. {Dolores Merchán} and Nisha Pawar and Andreas Santamaria and Rosalía Sánchez-Fernández and Oleg Konovalov and Armando Maestro and M. {Mercedes Velázquez}},
keywords = {Graphene oxide, Dipalmitoyl--glycerol-3-phosphocholine, Air-water interface, Neutron reflectometry, X-Ray reflectometry, Grazing incident X-ray diffraction},
abstract = {Hypothesis
Graphene oxide-based nanotechnology has aroused a great interest due to its applications in the biomedical and optoelectronic fields. The wide use of these materials makes it necessary to study its potential toxicity associated with the inhalation of Graphene Oxide (GO) nanoparticles and its interaction with the lung surfactant. Langmuir monolayers have proven to be an excellent tool for studying the properties of the lung surfactant and the effect of intercalation of nanoparticles on its structure and properties. Therefore, to know the origin of the phospholipids/GO interaction and the structure of the lipid layer with GO, in this work we study the effect of the insertion of GO sheets on a Langmuir film of 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine (DPPC).
Experiments
Surface pressure-area isotherms, Neutron (NR) and X-ray Reflectivity (XRR) and Grazing Incidence X-ray Diffraction (GIXD) measurements of hydrogenated and deuterated DPPC monolayers with and without GO have been carried out.
Findings
The results outline a strong interaction between the GO and the zwitterionic form of DPPC and prove that GO is in three regions of the DPPC monolayer, the aliphatic chains of DPPC, the head groups and water in the subphase. Comparison between results obtained with hydrogenated and deuterated DPPC allows concluding that both, electrostatic attractions, and dispersion forces are responsible of the interaction GO/DPPC. Results also demonstrated that the insertion of GO into the DPPC aliphatic chains does not induce significant changes on unit cell of DPPC.}
}
@article{doi:10.1021/acs.macromol.3c01722,
author = {Sujita, Ryota and Imai, Sahori and Ouchi, Makoto and Aoki, Hiroyuki and Terashima, Takaya},
title = {Microphase Separation of Cationic Homopolymers Bearing Alkyl Ammonium Salts into Sub-4 nm Lamellar Materials with Water Intercalation Channels},
journal = {Macromolecules},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.macromol.3c01722},
URL = {https://doi.org/10.1021/acs.macromol.3c01722},
eprint = {https://doi.org/10.1021/acs.macromol.3c01722},
}
@article{yadav2023interfacial,
title={Interfacial spin structures in Pt/Tb 3 Fe 5 O 12 bilayer films on Gd 3 Ga 5 O 12 substrates},
author={Yadav, Roshni and Bake, Abdulhakim and Lee, Wai Tung and Liu, Yu-Kuai and Mitchell, David RG and Yang, Xin-Ren and Cortie, David L and Lin, Ko-Wei and Leung, Chi Wah},
journal={Physical Review Materials},
volume={7},
number={12},
pages={124407},
year={2023},
publisher={APS},
doi={10.1103/PhysRevMaterials.7.124407}
}
@article{hurtado2023galinstan,
title={Galinstan Liquid Metal Electrical Contacts for Monolayer-Modified Silicon Surfaces},
author={Hurtado, Carlos and Andreoli, Tony and Le Brun, Anton P and MacGregor, Melanie and Darwish, Nadim and Ciampi, Simone},
journal={Langmuir},
year={2023},
publisher={ACS Publications},
doi={10.1021/acs.langmuir.3c02340},
}
@article{doi:10.1021/acs.langmuir.3c02596,
author = {Robertson, Hayden and Gresham, Isaac J. and Nelson, Andrew R. J. and Gregory, Kasimir P. and Johnson, Edwin C. and Willott, Joshua D. and Prescott, Stuart W. and Webber, Grant B. and Wanless, Erica J.},
title = {Solvent-Modulated Specific Ion Effects: Poly(N-isopropylacrylamide) Brushes in Nonaqueous Electrolytes},
journal = {Langmuir},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.langmuir.3c02596},
note ={PMID: 38117209},
URL = {https://doi.org/10.1021/acs.langmuir.3c02596},
eprint = {https://doi.org/10.1021/acs.langmuir.3c02596},
abstract = { Pertinent to cryopreservation as well as energy storage and batteries, nonaqueous electrolytes and their mixtures with water were investigated. In particular, specific ion-induced effects on the modulation of a poly(N-isopropylacrylamide) (PNIPAM) brush were investigated in various dimethyl sulfoxide (DMSO)–water solvent mixtures. Spectroscopic ellipsometry and neutron reflectometry were employed to probe changes in brush swelling and structure, respectively. In water-rich solvents (i.e., pure water and 6 mol \% DMSO), PNIPAM undergoes a swollen to collapsed thermotransition with increasing temperature, whereby a forward Hofmeister series was noted; K+ and Li+ electrolytes composed of SCN– and I– salted-in (stabilized) PNIPAM chains, and electrolytes of Cl– and Br– salted-out (destabilized) the polymer. The cation was seen to play a lesser role than that of the anion, merely modulating the magnitude of the anion effect. In 70 mol \% DMSO, a collapsed to swollen thermotransition was noted for PNIPAM. Here, concentration-dependent specific ion effects were observed; a forward series was observed in 0.2 mol \% electrolytes, whereas increasing the electrolyte concentration to 0.9 mol \% led to a series reversal. While no thermotransition was observed in pure DMSO, a solvent-induced specific ion series reversal was noted; SCN– destabilized the brush and Cl– stabilized the brush. Both series reversals are attributed to the delicate balance of interactions between the solvent, solute (ion), and substrate (brush). Namely, the stability of the solvent clusters was hypothesized to drive polymer solvation. }
}
@article{armstrong2024experimental,
title={Experimental and simulation study of self-assembly and adsorption of glycerol monooleate in n-dodecane with varying water content onto iron oxide},
author={Armstrong, Alexander J and Ap{\'o}stolo, Rui FG and McCoy, Thomas Malcolm and Allen, Finian J and Doutch, James and Cattoz, Beatrice and Dowding, Peter John and Welbourn, Rebecca and Routh, Alexander and Camp, Philip James},
journal={Nanoscale},
year={2024},
doi={10.1039/D3NR05080G},
publisher={Royal Society of Chemistry}
}
@article{higgins2024hysteresis,
title={Hysteresis in phase volumes, compositions and interfacial roughness in model OPV-small-molecule/polymer thin-films},
author={Higgins, Anthony Martin and Gutfreund, Philipp and Italia, Valeria and Nelson, Andrew RJ and Cabral, Joao T and Hynes, Elizabeth L},
journal={Soft Matter},
year={2024},
doi={10.1039/D3SM01066J},
publisher={Royal Society of Chemistry}
}
@article{pradeepkumar2024epitaxial,
title={Epitaxial graphene growth on cubic silicon carbide on silicon with high temperature neutron reflectometry: an operando study},
author={Pradeepkumar, Aiswarya and Cortie, David and Smyth, Erin and Le Brun, Anton P and Iacopi, Francesca},
journal={RSC Advances},
volume={14},
number={5},
pages={3232--3240},
year={2024},
doi={10.1039/D3RA08289J},
publisher={Royal Society of Chemistry}
}
@article{gudlur2024ph,
title={pH-dependent interactions of coacervate-forming histidine-rich peptide with model lipid membranes},
author={Gudlur, Sushanth and Ferreira, Filipe Viana and Ting, Javier Shu Ming and Domene, Carmen and Maricar, Syed and Le Brun, Anton P and Yepuri, Nageshwar and Moir, Michael and Russell, Robert and Darwish, Tamim and others},
journal={Frontiers in Soft Matter},
volume={3},
pages={1339496},
year={2024},
doi={10.3389/frsfm.2023.1339496},
publisher={Frontiers}
}
@article{chen2024trifluoromethyl,
title={Trifluoromethyl-Substituted Perylene Diimides for Rapid and Sensitive Film-Based Fluorescence Detection of Methamphetamine and Cocaine Hydrochloride},
author={Chen, Ming and Chu, Ronan and Babazadeh, Mohammad and Kistemaker, Jos CM and Burn, Paul L and Gentle, Ian R and Shaw, Paul E},
journal={Advanced Functional Materials},
pages={2311328},
year={2024},
doi={10.1002/adfm.202311328},
publisher={Wiley Online Library}
}
@article{doi:10.1021/acsami.3c18687,
author = {Muthwill, Moritz S. and Bina, Maryame and Paracini, Nicolò and Coats, John Peter and Merget, Severin and Yorulmaz Avsar, Saziye and Messmer, Daniel and Tiefenbacher, Konrad and Palivan, Cornelia G.},
title = {Planar Polymer Membranes Accommodate Functional Self-Assembly of Inserted Resorcinarene Nanocapsules},
journal = {ACS Applied Materials \& Interfaces},
volume = {16},
number = {10},
pages = {13291-13304},
year = {0},
doi = {10.1021/acsami.3c18687},
note ={PMID: 38422470},
URL = {https://doi.org/10.1021/acsami.3c18687},
eprint = {https://doi.org/10.1021/acsami.3c18687},
abstract = { Solid-supported polymer membranes (SSPMs) offer great potential in material and life sciences due to their increased mechanical stability and robustness compared to solid-supported lipid membranes. However, there is still a need for expanding the functionality of SSPMs by combining them with synthetic molecular assemblies. In this study, SSPMs served as a flexible matrix for the insertion of resorcinarene monomers and their self-assembly into functional hexameric resorcinarene capsules. Resorcinarene capsules provide a large cavity with affinity specifically for cationic and polyhydroxylated molecules. While the capsules are stable in apolar organic solvents, they disassemble when placed in polar solvents, which limits their application. Here, a solvent-assisted approach was used for copolymer membrane deposition on solid support and simultaneous insertion of the resorcinarene monomers. By investigation of the molecular factors and conditions supporting the codeposition of the copolymer and resorcinarene monomers, a stable hybrid membrane was formed. The hydrophobic domain of the membrane played a crucial role by providing a sufficiently thick and apolar layer, allowing for the self-assembly of the capsules. The capsules were functional inside the membranes by encapsulating cationic guests from the aqueous environment. The amount of resorcinarene capsules in the hybrid membranes was quantified by a combination of quartz-crystal microbalance with dissipation and liquid chromatography–mass spectrometry, while the membrane topography and layer composition were analyzed by atomic force microscopy and neutron reflectometry. Functional resorcinarene capsules inside SSPMs can serve as dynamic sensors and potentially as cross-membrane transporters, thus holding great promise for the development of smart surfaces. }
}
@article{Schumi-Marecek:jo5099,
author = "Schumi-Mare{\v{c}}ek, David and Bertram, Florian and Mikul{\'\i}k, Petr and Varshney, Devanshu and Nov{\'{a}}k, Ji{\v{r}}{\'\i} and Kowarik, Stefan",
title = "{Millisecond X-ray reflectometry and neural network analysis: unveiling fast processes in spin coating}",
journal = "Journal of Applied Crystallography",
year = "2024",
volume = "57",
number = "2",
pages = "314--323",
month = "Apr",
doi = {10.1107/S1600576724001171},
url = {https://doi.org/10.1107/S1600576724001171},
abstract = {X-ray reflectometry (XRR) is a powerful tool for probing the structural characteristics of nanoscale films and layered structures, which is an important field of nanotechnology and is often used in semiconductor and optics manufacturing. This study introduces a novel approach for conducting quantitative high-resolution millisecond monochromatic XRR measurements. This is an order of magnitude faster than in previously published work. Quick XRR (qXRR) enables real time and {\it in situ} monitoring of nanoscale processes such as thin film formation during spin coating. A record qXRR acquisition time of 1.4ms is demonstrated for a static gold thin film on a silicon sample. As a second example of this novel approach, dynamic {\it in situ} measurements are performed during PMMA spin coating onto silicon wafers and fast fitting of XRR curves using machine learning is demonstrated. This investigation primarily focuses on the evolution of film structure and surface morphology, resolving for the first time with qXRR the initial film thinning via mass transport and also shedding light on later thinning via solvent evaporation. This innovative millisecond qXRR technique is of significance for {\it in situ} studies of thin film deposition. It addresses the challenge of following intrinsically fast processes, such as thin film growth of high deposition rate or spin coating. Beyond thin film growth processes, millisecond XRR has implications for resolving fast structural changes such as photostriction or diffusion processes.},
keywords = {X-ray reflectometry, spin coating, neural network analysis, X-ray reflectometry, millisecond XRR},
}
@article{doi:10.1021/acsmacrolett.3c00743,
author = {Ikami, Takaya and Aoki, Hiroyuki and Terashima, Takaya},
title = {Lamellar Microphase Separation and Phase Transition of Hydrogen-Bonding/Crystalline Statistical Copolymers: Amide Functionalization at the Interface},
journal = {ACS Macro Letters},
volume = {13},
number = {4},
pages = {446-452},
year = {2024},
doi = {10.1021/acsmacrolett.3c00743},
note = {PMID: 38547521},
URL = {https://doi.org/10.1021/acsmacrolett.3c00743},
eprint = {https://doi.org/10.1021/acsmacrolett.3c00743}
}
@article{doi:10.1021/acsaem.4c00140,
author = {Mallo, Neil and McAnally, Shaun and Jin, Hui and Babazadeh, Mohammad and Packman, Lachlan and Chu, Ronan and Burn, Paul L. and Gentle, Ian R. and Shaw, Paul E.},
title = {The Effect of Fluorinated Benzothiadiazole-dicyanovinyl Acceptors on the Dielectric Constants of Organic Photovoltaic Materials},
journal = {ACS Applied Energy Materials},
volume = {7},
number = {8},
pages = {3393-3405},
year = {2024},
doi = {10.1021/acsaem.4c00140},
URL = {https://doi.org/10.1021/acsaem.4c00140},
eprint = {https://doi.org/10.1021/acsaem.4c00140}
}
@article{doi:10.1021/acs.jpclett.4c00467,
author = {Doucet, Mathieu and Candeago, Riccardo and Wang, Hanyu and Browning, James F. and Su, Xiao},
title = {Studying Transient Phenomena in Thin Films with Reinforcement Learning},
journal = {The Journal of Physical Chemistry Letters},
volume = {15},
number = {16},
pages = {4444-4450},
year = {2024},
doi = {10.1021/acs.jpclett.4c00467},
note ={PMID: 38626466},
URL = {https://doi.org/10.1021/acs.jpclett.4c00467},
eprint = {https://doi.org/10.1021/acs.jpclett.4c00467},
abstract = { Neutron reflectometry has long been a powerful tool to study the interfacial properties of energy materials. Recently, time-resolved neutron reflectometry has been used to better understand transient phenomena in electrochemical systems. Those measurements often comprise a large number of reflectivity curves acquired over a narrow q range, with each individual curve having lower information content compared to a typical steady-state measurement. In this work, we present an approach that leverages existing reinforcement learning tools to model time-resolved data to extract the time evolution of structure parameters. By mapping the reflectivity curves taken at different times as individual states, we use the Soft Actor-Critic algorithm to optimize the time series of structure parameters that best represent the evolution of an electrochemical system. We show that this approach constitutes an elegant solution to the modeling of time-resolved neutron reflectometry data. }
}
@article{kee2024additive,
title={Additive roles of antiferromagnetically coupled elements in the magnetic proximity effect in the GdFeCo/Pt system},
author={Kee, Jung Yun and Kim, Kook Tae and Lee, In Hak and Seo, Ilwan and Chang, Jun-Young and Lee, Ah-Yeon and Noh, Woo-suk and Chang, Young Jun and Park, Seung-Young and Choe, Sug-Bong and others},
journal={Scientific Reports},
volume={14},
number={1},
pages={9476},
year={2024},
publisher={Nature Publishing Group UK London}
}
@article{PhysRevMaterials.8.055801,
title = {Epitaxial strain-tuned oxygen vacancy formation, reduction behavior, and electronic structure of perovskite $\mathrm{SrIr}{\mathrm{O}}_{3}$},
author = {Sweers, Matthew E. and Ma, Qing and Donahue, Patrick M. and Nordlund, Dennis and Haile, Sossina M. and Seitz, Linsey C.},
journal = {Phys. Rev. Mater.},
volume = {8},
issue = {5},
pages = {055801},
numpages = {9},
year = {2024},
month = {May},
publisher = {American Physical Society},
doi = {10.1103/PhysRevMaterials.8.055801},
url = {https://link.aps.org/doi/10.1103/PhysRevMaterials.8.055801}
}
@article{MILOGRODZKA2024,
title = {HIV and influenza fusion peptide interactions with (dis)ordered lipid bilayers: Understanding mechanisms and implications for antimicrobial and antiviral approaches},
journal = {Journal of Colloid and Interface Science},
year = {2024},
issn = {0021-9797},
doi = {https://doi.org/10.1016/j.jcis.2024.05.066},
url = {https://www.sciencedirect.com/science/article/pii/S0021979724010464},
author = {Izabela Miłogrodzka and Anton P. {Le Brun} and Mark M. {Banaszak Holl} and Leonie {van 't Hag}},
keywords = {Biomimetic surfaces, membrane interactions, monolayer, Bilayer, Quartz crystal microbalance, Neutron reflectometry},
abstract = {The study investigates the interactions of viral fusion peptides from influenza (E4K and Ac-E4K) and human immunodeficiency virus (gp41 and Ac-gp41) with planar lipid bilayers. A combination of surface-sensitive techniques, including quartz crystal microbalance with dissipation (QCM-D), Langmuir area-pressure isotherms with Micro-Brewster angle microscopy, and neutron reflectometry, was employed. Differences in the interactions of the viral fusion peptides with lipid bilayers featuring ordered and disordered phases, as well as lipid rafts, were revealed. The HIV fusion peptide (gp41) exhibited strong binding to the DOPC/DOPS bilayer, comprising a liquid disordered phase, with neutron reflectometry (NR) showing interaction with the bilayer's headgroup area. Conversely, negligible binding was observed with lipid bilayers in a liquid ordered phase. Notably, the influenza peptide (E4K) demonstrated slower binding kinetics with DOPC/DOPS bilayers and distinct interactions compared to gp41, as observed through QCM-D. This suggests different mechanisms of interaction with the lipid bilayers: one peptide interacts more within the headgroup region, while the other is more involved in transmembrane interactions. These findings hold implications for understanding viral fusion mechanisms and developing antimicrobials and antivirals targeting membrane interactions. The differential binding behaviours of the viral fusion peptides underscore the importance of considering membrane composition and properties in therapeutic strategy design}
}
@phdthesis{wang2024macromolecular,
title={Macromolecular avenues for the creation of bio-inspired hierarchically structured surfaces},
author={Wang, Yu-Min},
year={2024},
school={Univerzita Karlova, P{\v{r}}{\'\i}rodov{\v{e}}deck{\'a} fakulta},
publisher={Univerzita Karlova, P{\v{r}}{\'\i}rodov{\v{e}}deck{\'a} fakulta}
}
@article{DELGIUDICE2024134365,
title = {Towards natural care products: structural and deposition studies of bio-based polymer and surfactant mixtures},
journal = {Colloids and Surfaces A: Physicochemical and Engineering Aspects},
pages = {134365},
year = {2024},
issn = {0927-7757},
doi = {https://doi.org/10.1016/j.colsurfa.2024.134365},
url = {https://www.sciencedirect.com/science/article/pii/S0927775724012263},
author = {Alessandra {Del Giudice} and Marta Gubitosi and Adrien Sthoer and Sebastian Köhler and Sophie Ayscough and Maximilian W.A. Skoda and Tommy Nylander and Tobias Halthur},
keywords = {Surfactants, fatty acids, biopolymers, coacervates, deposition, bulk characterisation},
abstract = {Oppositely charged polymer-surfactant systems are expected to interact with formation of coacervate complexes near composition of charge-neutrality. Such behaviour is widely used in formulated products (e.g. household and personal care), where the co-deposition of coacervates and active ingredients on various surfaces is triggered by dilution. A transition towards the use of more sustainable ingredients is currently ongoing as a response to the need of more environmentally conscious choices in production, albeit slowed down by the often more complex and not fully understood bulk and interfacial behaviour of new ingredients. In this work, mixtures of a medium-chain fatty acid (sodium decanoate) and two grades of bio-based cationic modified inulin were studied. The phase behaviour was determined in a wide composition matrix. The formation of coacervate complexes was observed for the mixture with the higher charge density polymer at a surfactant concentration of 1-3wt%, close to the surfactant critical micellar concentration in pure water. Such behaviour was confirmed by DLS and SAXS data, suggesting surfactant-polymer complexation in a concentrated phase of packed micelles with a micelle-to-micelle distance of ~4.5nm. In situ ellipsometry and neutron reflectometry experiments were conducted to study the effect on surface deposition when diluting. The ellipsometry showed an adsorbed mass of ~1.3-1.9mg/m2, consistent with the deposition of a coacervate layer, and considerably higher than the neat, adsorbed polymer layer of ~0.3mg/m2. In the case of the neutron reflectometry experiments, dilution was performed before contact with the surface (pre-mixing), and no adsorption of coacervates was observed, but rather the adsorption of a polymer layer (0.49-0.85mg/m2). The different results obtained with the different techniques highlight the kinetic nature of bulk coacervate formation and deposition, and the competition between these two phenomena. Maximal deposition can be achieved if one can control this time window either by tuning the composition of the system or the experimental set-up, to mimic the conditions of a specific application.}
}
@article{ROBERTSON2024103238,
title = {Illuminating the nanostructure of diffuse interfaces: Recent advances and future directions in reflectometry techniques},
journal = {Advances in Colloid and Interface Science},
pages = {103238},
year = {2024},
issn = {0001-8686},
doi = {https://doi.org/10.1016/j.cis.2024.103238},
url = {https://www.sciencedirect.com/science/article/pii/S0001868624001611},
author = {Hayden Robertson and Isaac J. Gresham and Andrew R.J. Nelson and Stuart W. Prescott and Grant B. Webber and Erica J. Wanless},
keywords = {Solvated interfaces, Diffuse interfaces, Soft matter, Polymer brushes, Monolayers, Reflectometry techniques, X-ray reflectometry, Neutron reflectometry, Ellipsometry, Interfacial phenomena, Nanoscale characterisation},
abstract = {Diffuse soft matter interfaces take many forms, from end-tethered polymer brushes or adsorbed surfactants to self-assembled layers of lipids. These interfaces play crucial roles across a multitude of fields, including materials science, biophysics, and nanotechnology. Understanding the nanostructure and properties of these interfaces is fundamental for optimising their performance and designing novel functional materials. In recent years, reflectometry techniques, in particular neutron reflectometry, have emerged as powerful tools for elucidating the intricate nanostructure of soft matter interfaces with remarkable precision and depth. This review provides an overview of selected recent developments in reflectometry and their applications for illuminating the nanostructure of diffuse interfaces. We explore various principles and methods of neutron and X-ray reflectometry, as well as ellipsometry, and discuss advances in their experimental setups and data analysis approaches. Improvements to experimental neutron reflectometry methods have enabled greater time resolution in kinetic measurements and elucidation of diffuse structure under shear or confinement, while innovation in analysis protocols has significantly reduced data processing times, facilitated co-refinement of reflectometry data from multiple instruments and provided greater-than-ever confidence in proposed structural models. Furthermore, we highlight some significant research findings enabled by these techniques, revealing the organisation, dynamics, and interfacial phenomena at the nanoscale. We also discuss future directions and potential advancements in reflectometry techniques. By shedding light on the nanostructure of diffuse interfaces, reflectometry techniques enable the rational design and tailoring of interfaces with enhanced properties and functionalities.}
}
@article{han2024arginine,
title={Arginine catabolism is essential to polymyxin dependence in Acinetobacter baumannii},
author={Han, Mei-Ling and Alsaadi, Yasser and Zhao, Jinxin and Zhu, Yan and Lu, Jing and Jiang, Xukai and Ma, Wendong and Patil, Nitin A and Dunstan, Rhys A and Le Brun, Anton P and others},
journal={Cell Reports},
volume={43},
number={7},
doi={10.1016/j.celrep.2024.114410},
year={2024},
publisher={Elsevier}
}
@article{doi:10.1021/acsami.4c07752,
author = {Uchida, Kazuto and Masuda, Tsukuru and Hara, Shintaro and Matsuo, Youichi and Liu, Yuwei and Aoki, Hiroyuki and Asano, Yoshihiko and Miyata, Kazuki and Fukuma, Takeshi and Ono, Toshiya and Isoyama, Takashi and Takai, Madoka},
title = {Stability Enhancement by Hydrophobic Anchoring and a Cross-Linked Structure of a Phospholipid Copolymer Film for Medical Devices},
journal = {ACS Applied Materials \& Interfaces},
volume = {16},
number = {30},
pages = {39104-39116},
year = {2024},
doi = {10.1021/acsami.4c07752},
note = {PMID: 39036941},
URL = {https://doi.org/10.1021/acsami.4c07752},
eprint = {https://doi.org/10.1021/acsami.4c07752}
}
@article{doi:10.1021/acsanm.4c02865,
author = {Huang, Tzu-Yen and Le Brun, Anton P. and Sochor, Benedikt and Wu, Chun-Ming and Bulut, Yusuf and Müller-Buschbaum, Peter and Roth, Stephan V. and Yang, Yan-Ling},
title = {Nanometer-Thick ITIC Bulk Heterojunction Films as Non-Fullerene Acceptors in Organic Solar Cells},
journal = {ACS Applied Nano Materials},
volume = {7},
number = {0},
pages = {17588-17595},
year = {2024},
doi = {10.1021/acsanm.4c02865},
URL = {https://doi.org/10.1021/acsanm.4c02865},
eprint = {https://doi.org/10.1021/acsanm.4c02865}
}
@article{starostin2024fast,
title = {Fast and Reliable Probabilistic Reflectometry Inversion with Prior-Amortized Neural Posterior Estimation},
author = {Starostin, Vladimir and Dax, Maximilian and Gerlach, Alexander and Hinderhofer, Alexander and Tejero-Cantero, {\'A}lvaro and Schreiber, Frank},
journal = {arXiv preprint arXiv:2407.18648},
url = {https://arxiv.org/abs/2407.18648},
year = {2024}
}
@misc{pawar2024exploring,
title={Exploring the interaction of lipid bilayers with curcumin-laponite nanoparticles: implications for drug delivery and therapeutic applications},
author={Pawar, Nisha and Pe{\~n}a-Figueroa, Miriam and Verde-Sesto, Ester and Maestro, Armando and Alvarez-Fernandez, Alberto},
year={2024},
doi={10.26434/chemrxiv-2024-xxlpl},
}
@article{lai2024enhanced,
title={Enhanced Nitric Oxide Delivery Through Self-Assembling Nanoparticles for Eradicating Gram-Negative Bacteria},
author={Lai, Xiangfeng and Yu, Lei and Huang, Xiangyi and Gardner, Wil and Bamford, Sarah E and Pigram, Paul J and Wang, Shuhong and Brun, Anton P Le and Muir, Benjamin W and Song, Jiangning and others},
journal={Advanced Healthcare Materials},
pages={2403046},
year={2024},
doi={https://doi.org/10.1002/adhm.202403046},
publisher={Wiley Online Library}
}
@article{cozzolino2024mimicking,
title={Mimicking the hair surface for neutron reflectometry},
author={Cozzolino, Serena and Gutfreund, Philipp and Vorobiev, Alexei and Devishvili, Anton and Greaves, Andrew and Nelson, Andrew and Yepuri, Nageshwar and Luengo, Gustavo S and Rutland, Mark W},
journal={Soft Matter},
year={2024},
doi={10.1039/D4SM00784K},
publisher={Royal Society of Chemistry}
}
@article{doi:10.1021/acs.langmuir.4c02344,
author = {Bulut, Yusuf and Sochor, Benedikt and Reck, Kristian A. and Schummer, Bernhard and Meinhardt, Alexander and Drewes, Jonas and Liang, Suzhe and Guan, Tianfu and Jeromin, Arno and Stierle, Andreas and Keller, Thomas F. and Strunskus, Thomas and Faupel, Franz and Müller-Buschbaum, Peter and Roth, Stephan V.},
title = {Investigating Gold Deposition with High-Power Impulse Magnetron Sputtering and Direct-Current Magnetron Sputtering on Polystyrene, Poly-4-vinylpyridine, and Polystyrene Sulfonic Acid},
journal = {Langmuir},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.langmuir.4c02344},
note ={PMID: 39402930},
URL = {https://doi.org/10.1021/acs.langmuir.4c02344},
eprint = {https://doi.org/10.1021/acs.langmuir.4c02344}
}
@article{vagias2024grazing,
title={Grazing-incidence small-angle neutron scattering at high pressure (HP-GISANS): a soft matter feasibility study on grafted brush films},
author={Vagias, Apostolos and Manouras, Theodore and Buchner, Andreas and Gutfreund, Philipp and Porcar, Lionel and Jacques, Mark and Chiappisi, Leonardo and Kosbahn, David P and Wolf, Marcell and Guasco, Laura and others},
journal={Applied Crystallography},
volume={57},
number={6},
year={2024},
doi={10.1107/S1600576724009130},
publisher={International Union of Crystallography}
}
@article{doi:10.1021/acs.macromol.4c02053,
author = {Reitenbach, Julija and Wang, Peixi and Huber, Linus F. and Wegener, Simon A. and Cubitt, Robert and Schanzenbach, Dirk and Laschewsky, Andr{\'e} and Papadakis, Christine M. and M{\"u}ller-Buschbaum, Peter},
title = {Salt-Mediated Tuning of the Cononsolvency Response Behavior of PNIPMAM Thin Films},
journal = {Macromolecules},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.macromol.4c02053},
URL = {https://doi.org/10.1021/acs.macromol.4c02053},
eprint = {https://doi.org/10.1021/acs.macromol.4c02053}
}
@article{guasco2024understanding,
title={Understanding the Role of Hydrogen and Oxygen in Electronic Phase Changes of Nickelates},
author={Guasco, Laura and Pons, Rebecca and Cortie, David and Bannenberg, Lars J and Wochner, Peter and Goering, Eberhard and Nagel, Peter and Schuppler, Stefan and Hayashida, Shohei and Merkle, Rotraut and others},
journal={Advanced Functional Materials},
pages={2419253},
year={2024},
publisher={Wiley Online Library}
}
@article{lafon2025near,
title={Near-Surface Concentration Profile of Sheared Semidilute Polymer Solutions},
author={Lafon, Suzanne and Outerelo Corvo, Tiago and Grzelka, Marion and H{\'e}lary, Arnaud and Gutfreund, Philipp and L{\'e}ger, Liliane and Chennevi{\`e}re, Alexis and Restagno, Fr{\'e}d{\'e}ric},
journal={Langmuir},
year={2025},
doi={10.1021/acs.langmuir.4c04005},
publisher={ACS Publications}
}
@article{siddiqueinvestigating,
title={Investigating Impacts of Amino Acids on the Structural Stability of Anionic Biomembranes},
author={Siddique, Arslan and Lowe, Lauren A and Kanti De, Soumya and Loo, Daniel WK and Le Brun, Anton P and Nelson, Andrew RJ and Wang, Anna},
journal={ChemSystemsChem},
pages={e202400065},
year={2025},
doi={10.1002/syst.202400065},
publisher={Wiley Online Library}
}
@article{paracini2025depth,
title={Depth-Resolved Temperature-Dependent Penetration of Polymyxin B in Phospholipids/Lipopolysaccharide Asymmetric Bilayers},
author={Paracini, Nicoló and Lakey, Jeremy H and Clifton, Luke A},
journal={ACS Omega},
year={2025},
publisher={ACS Publications}
}
@article{doi:10.1021/jacs.4c16219,
author = {Horiike, Yuki and Aoki, Hiroyuki and Ouchi, Makoto and Terashima, Takaya},
title = {Water-Intercalated and Humidity-Responsive Lamellar Materials by Self-Assembly of Sodium Acrylate Random Copolymers},
journal = {Journal of the American Chemical Society},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/jacs.4c16219},
note ={PMID: 39950680},
URL = {https://doi.org/10.1021/jacs.4c16219},
eprint = {https://doi.org/10.1021/jacs.4c16219}
}
@article{PARACINI2025150,
title = {The interaction of human serum components with model membranes containing phospholipids and lipopolysaccharides},
journal = {Journal of Colloid and Interface Science},
volume = {688},
pages = {150-160},
year = {2025},
issn = {0021-9797},
doi = {https://doi.org/10.1016/j.jcis.2025.02.131},
url = {https://www.sciencedirect.com/science/article/pii/S0021979725004916},
author = {Nicolò Paracini and Yubexi Correa and Rita {Del Giudice} and Martine Moulin and Harald Pichler and Eva Bengtsson and V. Trevor Forsyth and Maximilian W.A. Skoda and Luke A. Clifton and Marité Cárdenas},
keywords = {Lipoproteins, Calcium, Lipopolysaccharide, Lipid bilayer, Neutron reflection},
abstract = {Lipoproteins, key mediators of lipid transport, facilitate the bidirectional transfer of lipids such as fatty acids, triglycerides, and cholesterol between soluble particles and cell membranes. High-density lipoproteins (HDL) primarily engage in reverse cholesterol transport, while low-density lipoproteins (LDL) predominantly deposit lipids, affecting cardiovascular health with a well-known role in the formation of the atherosclerotic plaque. In addition, lipoproteins play an important role in neutralizing bacterial lipopolysaccharides (LPS), the major component of Gram-negative bacterial outer membranes, which act as potent TLR4 agonists and can trigger severe immune responses. Lipoproteins bind LPS in plasma, with HDL showing strong binding affinity and LDL contributing to LPS clearance under specific conditions. Here, we explore the interaction of LDL and human serum albumin (HSA), another serum lipid-binding protein, with model lipid bilayers containing either phospholipids or LPS. Using neutron reflectometry and attenuated total reflection infrared spectroscopy, we characterize lipid transfer processes influenced by calcium levels and lipid composition. Calcium plays a key role in receptor-mediated LDL binding, but less is known on its effect on LDL-mediated lipid transfer in the absence of LDL receptors. Our results show that elevated calcium levels enhance stable LDL adsorption onto mammalian phospholipid-cholesterol membranes, promoting lipid cargo deposition despite the absence of specific LDL-receptors. Conversely, LDL showed no stable binding to LPS reconstituted in asymmetric outer membrane models but was able to deposit phospholipids in the membrane. In contrast, HSA removed lipids from mammalian membranes and exhibited minimal interaction with LPS-containing models. The findings elucidate the distinct lipid exchange mechanisms of LDL and HSA and their roles in modulating lipid transfer at membrane interfaces. Receptor-free enhanced LDL lipid deposition in calcium-enriched environments may have implications for cardiovascular disease progression. Conversely, the minimal interaction of LDL with bacterial LPS suggests a limited ability to extract LPS from membrane environments. This study provides structural insights into the interplay between lipoproteins, calcium, and membrane composition, with relevance to atherosclerosis and systemic endotoxemia.}
}
@article{chen2025probing,
title={Probing Hf0. 5Zr0. 5O2 Ferroelectricity: Neutron Reflectivity Reveals Critical Interface Effects},
author={Chen, Hsing-Yang and Mo, Chi-Lin and Shyue, Jing-Jong and Huang, Tzu-Yen and Chen, Miin-Jang},
journal={ACS Applied Materials \& Interfaces},
year={2025},
publisher={ACS Publications},
doi={https://doi.org/10.1021/acsami.4c18056},
}
@article{BOSE2025162930,
title = {In-situ investigation of V3Si phase formation at high temperature and resulting superconductivity},
journal = {Applied Surface Science},
volume = {696},
pages = {162930},
year = {2025},
issn = {0169-4332},
doi = {https://doi.org/10.1016/j.apsusc.2025.162930},
url = {https://www.sciencedirect.com/science/article/pii/S0169433225006440},
author = {Manjith Bose and David L. Cortie and Sergey Rubanov and Anton P. {Le Brun} and Trevor R. Finlayson and Jeffrey C. McCallum},
keywords = {Thin films, VSi, Superconductivity, Neutron reflectometry, Magnetization},
abstract = {Vanadium silicide (V3Si) is a promising superconductor for integration with silicon-based electronics, however the interfacial growth kinetics have a strong influence on the resulting superconducting properties and are not yet fully understood. In this study, we have used neutron reflectometry to reveal the phase transformation during thin film growth driven by different annealing strategies. We examined the silicide formation when a thin layer of vanadium undergoes reactive diffusion with a silicon dioxide film on silicon at temperatures from 650–800 °C. To further investigate the time evolution of different phases under various annealing temperatures, a chemical model was developed and subsequent simulations were performed. The results of this model were validated using X-ray diffraction and cross-sectional TEM analysis. Correlations were observed between the structure and superconducting properties. Over-annealing films leads to complete depletion of the SiO2 barrier layer, forming diffuse interfaces and driving the formation of undesirable silicon-rich silicides. Avoiding this by controlling time and temperature, allows higher quality superconducting films to be achieved. The Tc of the films was found to be 13 K, and the annealing conditions influenced the critical fields and the paramagnetic Meissner effect near Tc. For optimally-annealed films, superconducting order parameters were calculated.}
}
@article{annurev:/content/journals/10.1146/annurev-matsci-080323-040123,
author = "Grabner, Devin and Heilman, Harlan and Patterson, Acacia and Melody, Tanner M. and Collins, Brian A.",
title = "Resonant Soft X-Ray Scattering in Polymer Materials",
journal = "Annual Review of Materials Research",
issn = "1531-7331",
year = "2025",
publisher = "Annual Reviews",
url = "https://www.annualreviews.org/content/journals/10.1146/annurev-matsci-080323-040123",
doi = "https://doi.org/10.1146/annurev-matsci-080323-040123",
abstract = "Resonant soft X-ray scattering (RSoXS) is a powerful tool for chemically and orientationally resolved nano-to-mesoscale characterization of complex molecular materials. Through its development over the past 15 years, its use has been extended to uniquely characterize structures, not only dry, thin films for devices, coatings, photolithography, and liquid crystalline ordering, but also solvated nanostructures in biology for therapeutics and hydrated membranes for filtration or biosensing. Here, we review progress in this exciting and maturing technique with an eye toward the materials scientist or engineer who has little experience with RSoXS but would like to know more about how the technique would fit into their toolset."
}
@article{Larsen:jl5103,
author = "Larsen, Andreas Haahr",
title = "{Optimal weights and priors in simultaneous fitting of multiple small-angle scattering datasets}",
journal = "Journal of Applied Crystallography",
year = "2025",
volume = "58",
number = "3",
pages = "",
month = "Jun",
doi = {10.1107/S1600576725002390},
url = {https://doi.org/10.1107/S1600576725002390},
abstract = {Small-angle X-ray and neutron scattering (SAXS and SANS) are powerful techniques in materials science and soft matter. This study addressed how multiple SAXS or SANS datasets are best weighted when performing simultaneous fitting. Three weighting schemes were tested: (1) equal weighting of all datapoints, (2) equal weighting of each dataset through normalization with the number of datapoints and (3) weighting proportional to the information content. The weighting schemes were assessed by model refinement against synthetic data under numerous conditions. The first weighting scheme led to the most accurate parameter estimation, especially when one dataset substantially outnumbered the other(s). Furthermore, it was demonstrated that inclusion of Gaussian priors significantly improves the accuracy of the refined parameters, as compared with common practice, where each parameter is constrained uniformly within an allowed interval.},
keywords = {co-refinement, small-angle scattering, SAXS, SANS, simultaneous fitting, Bayesian refinement, weighting schemes, priors},
}
@article{WANASINGHA2025103530,
title = {Nano-structured antibiofilm coatings based on recombinant resilin},
journal = {Advances in Colloid and Interface Science},
pages = {103530},
year = {2025},
issn = {0001-8686},
doi = {https://doi.org/10.1016/j.cis.2025.103530},
url = {https://www.sciencedirect.com/science/article/pii/S0001868625001411},
author = {Nisal Wanasingha and Rajkamal Balu and Sheeana Gangadoo and Amanda N. Abraham and Agata Rekas and Jitendra P. Mata and Anton P. {Le Brun} and Naba K. Dutta and Namita Roy Choudhury},
keywords = {Rec1-resilin, Silk fibroin, Nanocoatings, Atomic force microscopy, Neutron reflectometry, Antibacterial, Cell adhesion},
abstract = {Application of responsive biomaterials for tuning cell-surface interactions have been recently explored due to their unique switchable characteristics. However, rational design of surfaces using suitable biomacromolecules to attain optimal physicochemical performance, biocompatibility, cell adhesion and anti-fouling properties is quite challenging. Resilin-mimetic polypeptides (RMPs) are intrinsically disordered biomacromolecules that exhibit multi-stimuli responsive behaviour, including reversible dual-phase thermal behaviour forming self-assembled nano- to microstructures. However, there is a limited understanding of the effect of morphological features of RMP-based nanostructures, and their influence on surface properties. Therefore, in this study, a family of responsive RMP-based nanostructured coatings (nano-coacervates, nanogels and nano-bioconjugates) are fabricated to investigate their various surface properties that influence cell-surface interactions. The effects of their physicochemical properties, such as conformation, packing density, charge, roughness, and stiffness, are investigated using atomic force microscopy, neutron scattering and reflectometry techniques. Biocompatibility and microbiological testing show that these nanostructured switchable responsive coatings can be applied to a wide range of substrates to modulate biofilm formation and attribute antimicrobial characteristics. The developed nanocoatings have the potential to find applications in many areas, including implantable medical devices, and drug delivery.}
}
@article{10.1063/5.0251290,
author = {Lapkin, Dmitry and Nasro, Roody and Hagara, Jakub and Hofferberth, Bernd and Hinderhofer, Alexander and Gerlach, Alexander and Schreiber, Frank},
title = {Vacuum chamber for deposition of gradient thin films: Toward high-throughput structure–property correlative studies},
journal = {Review of Scientific Instruments},
volume = {96},
number = {5},
pages = {053905},
year = {2025},
month = {05},
abstract = {The advancement of materials science and application in complex multi-component systems is increasingly dependent on high-throughput studies that can efficiently explore the vast compositional space of materials. However, traditional sample preparation methods often struggle to keep pace with modern characterization techniques and data analysis capabilities. To address this challenge, we present a vacuum deposition chamber designed to produce gradient thin films. This chamber enables the deposition of single-component films with thickness gradients or multi-component films with continuous compositional gradients in a single experimental run. Our approach features a custom-designed moving shutter mechanism, which allows precise control over the deposition process and eliminates the need for multiple samples with discrete compositions. This significantly reduces research time and minimizes inconsistencies associated with the production of several individual samples. As a proof of concept, we deposited single-component gradient films of pentacene and diindenoperylene, which are widely studied in thin films for organic optoelectronic applications, and their corresponding binary gradient film. X-ray reflectivity measurements confirm the linear thickness gradients in the former and the linear compositional gradient in the latter samples.},
issn = {0034-6748},
doi = {10.1063/5.0251290},
url = {https://doi.org/10.1063/5.0251290},
eprint = {https://pubs.aip.org/aip/rsi/article-pdf/doi/10.1063/5.0251290/20515222/053905\_1\_5.0251290.pdf},
}
@article{shen2025enhanced,
title = {Enhanced Antibacterial Properties of Lyotropic Liquid Crystalline Nanoparticles via Curvature Modulation},
author = {Shen, Hsin-Hui and Lai, XiangFeng and Le Brun, Anton and Ding, Chen-guang and Hsu, Hsien-Yi and Wang, Yajun and Peleg, Anton},
year = {2025},
journal = {Nature portfolio preprint},
doi = {10.21203/rs.3.rs-6551164},
}
@article{MACHATSCHEK2025138021,
title = {Direct observation of alkaline and enzymatic Poly(Ethylene Terephthalate) hydrolysis via neutron Reflectivity: Kinetics and mechanistic insights},
journal = {Journal of Colloid and Interface Science},
pages = {138021},
year = {2025},
issn = {0021-9797},
doi = {https://doi.org/10.1016/j.jcis.2025.138021},
url = {https://www.sciencedirect.com/science/article/pii/S0021979725014122},
author = {Rainhard Machatschek and Natalia A. Tarazona and Maria Balk and Frederike Göttsch and Ren Wei and Uwe T. Bornscheuer and Jean-François Moulin and Manuela Keller and Nicole Schneider and Philipp Gutfreund and Martin Müller and Francesca M. Toma and Gaetano Mangiapia},
keywords = {PET, Enzymatic hydrolysis, Neutron reflectivity},
abstract = {One of the challenges in achieving industrial enzymatic depolymerization of poly(ethylene terephthalate) (PET) is the rapid loss of catalytic activity leading to incomplete polymer hydrolysis. While there are several possible explanations for this phenomenon, there is a lack of methods that can measure polymer hydrolysis directly, which makes it challenging to reliably infer mechanistic details. Here, we introduce neutron reflectivity of polymer thin films as a method that allows for direct assessment of the hydrolysis rate of polymers like PET. Through matching and variation of the isotopic contrasts, one can directly observe the reaction kinetics, while simultaneously obtaining structural information on the polymer/enzyme/water system. We show that the Michaelis-Menten theory describes well the enzymatic chain scission kinetics, whereas the alkaline one follows a (pseudo)-first order kinetics. At the concentrations used in the experiments, the areal density of enzymes at the polymer surface is very low, ruling out surface passivation or overcrowding as inhibition mechanisms.}
}
@article{doi:10.1021/acsbiomaterials.4c02299,
author = {Huang, Xiangyi and Lai, Xiangfeng and Yu, Lei and Hsu, Hsien-Yi and Le Brun, Anton P. and Wu, Chun-Ming and Muir, Benjamin W. and White, Jacinta F. and Wang, Yajun and Rajesh, Sarigama and Ding, Chenguang and Chan, Philip Wai Hong and Shen, Hsin-Hui},
title = {Antimicrobial Activity of Nitric Oxide Delivery Nanoparticles for Lipopolysaccharides-Deficient Gram-Negative Bacteria},
journal = {ACS Biomaterials Science \& Engineering},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acsbiomaterials.4c02299},
note ={PMID: 40454623},
URL = {https://doi.org/10.1021/acsbiomaterials.4c02299},
eprint = {https://doi.org/10.1021/acsbiomaterials.4c02299}
}
@Article{D5EB00052A,
author = "Huang, Lixu and Maleki, Mahin and Salado, Manuel and Porro, José M. and Petrenko, Viktor and Le Brun, Anton and Fraysse, Kilian Shani and Li, Hua and Zhang, Xuedong and Atkin, Rob and Huang, Jianyu and Chen, Fangfang and Makhlooghiazad, Faezeh and Howlett, Patrick C. and Forsyth, Maria",
title = "Interphase design from ionic liquid cation mixtures and multi-mode surface analysis for safe and stable Na metal batteries",
journal = "EES Batteries",
year = "2025",
pages = "-",
publisher = "RSC",
doi = "10.1039/D5EB00052A",
url = "http://dx.doi.org/10.1039/D5EB00052A",
abstract = "Enhancing the cycling performance of sodium metal batteries requires deliberate electrolyte design to optimize interfacial structuring and sodium deposition. This study explores novel ionic liquid (IL) electrolyte mixtures containing 20 mol% phosphonium cations ((tributylmethyl phosphonium) P1444+ and (trimethyl isobutyl phosphonium) P111i4+) as co-solvent additives in a base (N-propyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide) C3mpyrFSI electrolyte. The effects of these mixtures on electrochemical performance{,} physicochemical properties{,} interfacial nano-structuring{,} and sodium deposition morphology are investigated using a multifaceted approach{,} including cell cycling{,} cyclic voltammetry (CV){,} differential scanning calorimetry (DSC){,} ionic conductivity measurements{,} and in situ techniques such as neutron reflectometry (NR){,} atomic force microscopy (AFM){,} and optical microscopy (OM). The addition of the larger P1444+ cation{,} while decreasing ionic conductivity{,} surprisingly exhibits reduced polarisation overpotential and significantly extended lifespan and improved solid electrolyte interphase (SEI) formation kinetics. Our results{,} supported by NR{,} AFM{,} and in situ optical studies{,} reveal that incorporating P1444+ as a co-solvent disrupts interfacial nano-structuring. Under applied negative potentials{,} this disruption increases the presence of Na+ cations at the interface and their coordinated FSI− anions{,} leading to enhanced SEI formation kinetics as evidenced by CV results. This facilitates improved cycling stability and more uniform sodium deposition morphology. This work highlights the potential of mixed-cation ILs in achieving long-term performance and stability in sodium metal batteries. By shedding light on the poorly understood mechanisms underlying SEI-related performance improvements{,} it provides new strategies for optimizing interfacial structuring and electrolyte design."
}
@article{doi:10.1021/acsami.5c07863,
author = {Liu, Yuwei and Miyata, Noboru and Miyazaki, Tsukasa and Shundo, Atsuomi and Kawaguchi, Daisuke and Tanaka, Keiji and Aoki, Hiroyuki},
title = {Neutron Reflectometry Study on the Interfacial Layer of Epoxy Resin To Improve Adhesion Strength},
journal = {ACS Applied Materials \& Interfaces},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acsami.5c07863},
note ={PMID: 40495260},
URL = {https://doi.org/10.1021/acsami.5c07863},
eprint = {https://doi.org/10.1021/acsami.5c07863}
}
@article{AYSCOUGH2025138110,
title = {Neutron reflectometry reveals conformational changes in a mechanosensitive protein induced by an antimicrobial peptide in tethered lipid bilayers},
journal = {Journal of Colloid and Interface Science},
volume = {699},
pages = {138110},
year = {2025},
issn = {0021-9797},
doi = {https://doi.org/10.1016/j.jcis.2025.138110},
url = {https://www.sciencedirect.com/science/article/pii/S0021979725015012},
author = {Sophie E. Ayscough and Maximilian W.A. Skoda and James Doutch and Andrew Caruana and Christy Kinane and Luke Clifton and Simon Titmuss},
keywords = {Mechanosensitive ion channel, MscL, Tethered bilayer, Neutron reflectivity, Small-angle neutron scattering},
abstract = {Hypothesis Membrane proteins serve a wide range of vital roles in the functioning of living organisms. They are responsible for many cellular functions, such as signalling, ion and molecule transport, binding and catalytic reactions. Compared to other classes of proteins, determining membrane protein structures remains a challenge, in large part due to the difficulty in establishing experimental conditions that can preserve the correct conformation and function of the protein in isolation from its native environment. Many therapeutics target membrane proteins which are accessible on the surface of cells. Here we hypothesize that the observed efficacy of antimicrobial peptides (AMPs) that interact with bacterial membranes may in part be associated with their triggering of a conformational change in the Mechansensitive Ion Channel of Large Conductance (MscL).
Experiments We investigated the ion channel in lipid vesicles and in a planar lipid bilayer. We developed a novel method for protein-lipid planar bilayer formation, avoiding the use of detergents. By using a polymeric tether our planar membrane mimetic was not constrained by the underlying solid substrate, making it sufficiently flexible to allow for increases in bilayer curvature and changes in membrane tension. We used quartz crystal microbalance with dissipation (QCM-D), and polarised neutron reflectivity (PNR) to show the formation of MscL containing phospholipid bilayers, tethered with a high density PEG layer onto gold substrates from vesicle rupture. The MscL containing vesicles were separately characterised with small angle neutron scattering (SANS).
Findings MscL was expressed into vesicles using cell free protein expression. Analysing these vesicles with small angle neutron scattering, the radius of gyration of the protein was determined to be between 26-29 Å, consistent with the crystal structure of individual MscL channels. The MscL composition of the formed bilayer was 14%v/v, close to the initial composition of the vesicles, and a protein protrusion extending ca. 46 Å into the solvent was determined by PNR. Addition of 1.6 and 3.2 μM pexiganan resulted in a decrease in the protrusion of MscL (from ∼46 to ∼38 Å). To our knowledge, these findings represent the first direct experimental evidence of a structural change in the C-terminus containing protrusion of MscL, triggered by an antimicrobial peptide.}
}
@article{doi:10.1021/acs.langmuir.4c04444,
author = {Finney, Tanner J. and Bull, Michael R. and Frank, Skye L. and Solano, Lucas N. and Zhao, Junwei and Lam, Kit S. and Chen-Izu, Ye and Kuhl, Tonya L.},
title = {Planar, Kinked, or Twisted? Molecular Structures of Blue and Red Phase Polydiacetylene Langmuir Films},
journal = {Langmuir},
volume = {0},
number = {0},
pages = {null},
year = {0},
doi = {10.1021/acs.langmuir.4c04444},
note ={PMID: 40532034},
URL = {https://doi.org/10.1021/acs.langmuir.4c04444},
eprint = {https://doi.org/10.1021/acs.langmuir.4c04444}
}
@article{johnson2025neutron,
title={Neutron reflectometry can capture the rapid collapse and swelling of a polymer brush},
author={Johnson, Edwin C and Robertson, Hayden and Wanless, Erica J and Webber, Grant B and Humphreys, Ben A},
journal={Journal of Colloid and Interface Science},
pages={138248},
doi={10.1016/j.jcis.2025.138248},
year={2025},
publisher={Elsevier}
}
@article{chen2025naphthalimide,
title={Naphthalimide Derivatives as Film-Based Fluorescent Sensors for Rapid Detection of Illicit Drugs},
author={Chen, Ming and Stitt, Harrison and Chu, Ronan and Kistemaker, Jos CM and Wood, Ian A and Burn, Paul L and Gentle, Ian R and Shaw, Paul E},
journal={Advanced Sensor Research},
pages={e00063},
year={2025},
doi={10.1002/adsr.202500063},
publisher={Wiley Online Library}
}
@article{doi:10.1021/acs.jpclett.5c01538,
author = {Helstroffer, Swen and Gardr{\'e}, Ludovic and Fragneto, Giovanna and Hemmerle, Arnaud and Henry, L{\'e}o and Joly, Laurent and Thalmann, Fabrice and Loison, Claire and Muller, Pierre and Charitat, Thierry},
title = {The Role of Confined Water in the Emergence of Electrostatic Strong Coupling As Revealed by Nanoseparated Charged Lipid Layers},
journal = {The Journal of Physical Chemistry Letters},
volume = {0},
number = {0},
pages = {8369-8376},
year = {0},
doi = {10.1021/acs.jpclett.5c01538},
note ={PMID: 40772857},
URL = {https://doi.org/10.1021/acs.jpclett.5c01538},
eprint = {https://doi.org/10.1021/acs.jpclett.5c01538}
}
@article{ATIL2025111842,
title = {Pea protein isolates adsorption on phospholipid bilayer interfaces: a quartz crystal microbalance and neutron reflectometry study},
journal = {Food Hydrocolloids},
pages = {111842},
year = {2025},
issn = {0268-005X},
doi = {https://doi.org/10.1016/j.foodhyd.2025.111842},
url = {https://www.sciencedirect.com/science/article/pii/S0268005X25008021},
author = {Gökhan Uğur Atıl and Marshall R. Machingauta and Alessandra Luchini and Alexei Vorobiev and Milena Corredig and Tommy Nylander},
keywords = {pea proteins, phospholipids interactions, QCM-D, Neutron Reflectometry},
abstract = {Legumin and vicilin, the main storage proteins from peas, are increasingly employed as functional ingredients for food. Purpose of this work was to better understand the interactions between these proteins and selected lipids, due to their potential consequences on interfacial functionality of protein preparations. .Legumin and vicilin isolates were obtained after isoelectric precipitation followed by further purification using size exclusion chromatography. The interactions were studied using DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine): DOPE (1,2-dioleoyl-sn-glycero-3 phosphoethanolamine) as mixed supported lipid bilayers, using quartz crystal microbalance with dissipation monitoring (QCM-D) and complementary neutron reflectometry (NR) experiments. This approach, fundamental in nature, allowed to observe interactions at the molecular level in the presence of phospholipids interfaces. QCM-D data suggested that legumin did not show any significant affinity for the investigated lipid interface. On the contrary there were changes in the bilayer with vicilin injection. NR experiments also supported these observations, and modelling of the experimental data also suggested a structural reorganization of of the bilayer after vicilin injection and rinsing. This unique fundamental study of legumin and vicilin leads to the hypothesis that vicilin forms complexes with phospholipids bilayers which can be dispersed and removed by rinsing. Altogether, this study adds to the current debate on the importance of endogenous and non-endogenous phospholipids presence in affecting surface functionality of pea protein isolates.}
}
@incollection{seyfouri2025laboratory,
title={Laboratory X-Ray Diffraction Analysis of Oxide Thin Films},
author={Seyfouri, Mohammad Moein and Evans, Paul G and Valanoor, Nagarajan and Sando, Daniel},
booktitle={X-Ray Scattering Techniques for Epitaxial Oxide Thin Films},
pages={7--48},
year={2025},
publisher={Springer}
}
@article{collada2025escaping,
title={Escaping from flatland: the role of proteins SP-B and SP-C in the formation of 3D structures in interfacial pulmonary surfactant films},
author={Collada, Ainhoa and Carrascosa-Tejedor, Javier and S{\'a}nchez-Puga, Pablo and Liguori, Alessio and Gutfreund, Philipp and Santamaria, Andreas and Castillo-S{\'a}nchez, Jos{\'e} Carlos and Maestro, Armando and Cruz, Antonio and P{\'e}rez-Gil, Jes{\'u}s},
journal={Journal of Colloid and Interface Science},
pages={138769},
year={2025},
doi={https://doi.org/10.1016/j.jcis.2025.138769},
publisher={Elsevier}
}
@Comment{jabref-meta: databaseType:bibtex;}
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