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We report a comprehensive study of aqueous halide adsorption on nanoparticles of gold and palladium that addresses several limitations hampering the use of atomistic modeling as a tool for understanding and improving wet-chemical synthesis…

Materials Science · Physics 2021-08-17 Joakim Löfgren , J. Magnus Rahm , Joakim Brorsson , Paul Erhart

Garc\'ia-Aguilar et al. [Phys. Rev. Lett 126, 038001 (2021)] have shown that the deformations of "shape-shifting droplets" are consistent with an elastic model, that, unlike previous models, includes the intrinsic curvature of the frozen…

Soft Condensed Matter · Physics 2021-06-30 Pierre A. Haas , Raymond E. Goldstein , Diana Cholakova , Nikolai Denkov , Stoyan K. Smoukov

Recently, Rozovsky et al. reported on the morphology and dynamics of superstructures in three-component lipid bilayers containing saturated and unsaturated lipids as well as cholesterol [J. Am. Chem. Soc. 127, 36 (2005)]. We comment that…

Soft Condensed Matter · Physics 2012-01-31 S. Komura , N. Shimokawa , D. Andelman

Gaining access to the cell interior is fundamental for many applications, such as electrical recording, drug and biomolecular delivery. A very promising technique consists of culturing cells on nano/micro pillars. The tight adhesion and…

Preparation of nanoemulsions of triglyceride oils in water usually requires high mechanical energy and sophisticated equipment. Recently, we showed that alpha-to-beta (viz. gel-to-crystal) phase transition, observed with most lipid…

Soft Condensed Matter · Physics 2021-07-07 Diana Cholakova , Desislava Glushkova , Slavka Tcholakova , Nikolai Denkov

In the recently published article by T.M. Gray et al. "Microdosimetric and radiobiological effects of gold nanoparticles at therapeutic radiation energies" (IJRB 2023, 99(2), 308-317) results of Monte Carlo simulations and radiobiological…

Medical Physics · Physics 2023-08-15 Hans Rabus , Miriam Schwarze , Leo Thomas

Due to the hierarchical organization of RNA structures and their pivotal roles in fulfilling RNA functions, the formation of RNA secondary structure critically influences many biological processes and has thus been a crucial research topic.…

Lipid membranes have complex compositions and modeling the thermodynamic properties of multi-component lipid systems remains a remote goal. In this work we attempt to describe the thermodynamics of binary lipid mixtures by mapping…

Soft Condensed Matter · Physics 2024-09-04 L. Berezovska , R. Kociurzynski , F. Thalmann

In an effort to understand ``rafts'' in biological membranes, we propose phenomenological models for saturated and unsaturated lipid mixtures, and lipid-cholesterol mixtures. We consider simple couplings between the local composition and…

Soft Condensed Matter · Physics 2009-11-10 Shigeyuki Komura , Hisashi Shirotori , Peter D. Olmsted , David Andelman

A new method is proposed for the analysis of specular and off-specular reflectivity from supported lipid bilayers. Both thermal fluctuations and the "static" roughness induced by the substrate are carefully taken into account. Examples from…

Soft Condensed Matter · Physics 2009-10-08 Linda Malaquin , Thierry Charitat , Jean Daillant

A series of coarse-grained models have been developed for the study of the molecular dynamics of RNA nanostructures. The models in the series have one to three beads per nucleotide and include different amounts of detailed structural…

Quantitative Methods · Quantitative Biology 2015-05-18 Maxim Paliy , Roderick Melnik , Bruce A. Shapiro

This chapter summarizes several approaches combining theory, simulation and experiment that aim for a better understanding of phenomena in lipid bilayers and membrane protein systems, covering topics such as lipid rafts, membrane mediated…

Biological Physics · Physics 2014-12-17 Markus Deserno , Kurt Kremer , Harald Paulsen , Christine Peter , Friederike Schmid

Review paper on computer simulations of the structure of amorphous silica.

Statistical Mechanics · Physics 2007-05-23 Kurt Binder , Walter Kob

Precise control over the flow behavior of liquids is a critical problem and is demanding for multifaceted applications. Introducing surface-engineered nanoparticles into the liquid can tune the flow behavior. However, the extent of…

Materials Science · Physics 2025-03-10 Prama Adhya , Sachin M. B. Gautham , Tarak K Patra , Manish Kaushal , Titash Mondal

A recent area of interest in thermal applications has been nanofluids, with extensive research conducted in the field, and numerous publications expounding on new results coming to the fore. The properties of such fluids depend on their…

Applied Physics · Physics 2019-05-14 Ansab Jan , Burhan Mir , Ahmad A Mir

Three comments on a recent paper entitled ``Macroscopic surface charges from microscopic simulations'' [J. Chem. Phys. 153, 164709 (2020)]

Chemical Physics · Physics 2021-06-24 Zhonghan Hu

Self-associates of nucleic acid components (stacking trimers and tetramers of the base pairs of nucleic acids) and short fragments of nucleic acids are nanoparticles (linear sizes of these particles are more than 10 A. Modern…

Biomolecules · Quantitative Biology 2012-09-06 Yu. V. Rubin , L. F. Belous

The self-assembly of photonic nanostructures in insects involves chitin, proteins, and lipids. While synthetic photonic systems have been extensively studied, current lipid-based self-assembly systems are limited in periodicity to…

Soft Condensed Matter · Physics 2026-05-29 Rushna Quddus , Meron Debas , Stefan Salentinig , Ullrich Steiner , Viola Vogler-Neuling

In recent experiments [T. Basta et al., Proc. Natl. Acad. Sci. U.S.A. 111, 670 (2014)] lipids and membrane proteins were observed to self-assemble into membrane protein polyhedral nanoparticles (MPPNs) with a well-defined polyhedral protein…

Biological Physics · Physics 2017-04-28 Di Li , Osman Kahraman , Christoph A. Haselwandter

Membrane organization is essential for cellular functions such as signal transduction and membrane trafficking. A major challenge is to understand the lateral heterogeneous structures in membranes and membrane fluidity in the presence of…

Soft Condensed Matter · Physics 2007-11-09 Chun-Lai Ren , Yu-qiang Ma