Results 131 to 140 of about 2,403,428 (390)

Numerical Simulations of the Molecular Behavior and Entropy of Non-Ideal Argon [PDF]

arXiv, 2020
A numerical model is built, simulating the principles of kinetic gas theory, to predict pressures of molecules in a spherical pressure vessel; the model tracks a single particle and multiplies the force on the spherical walls by a mole of molecules to predict the net pressure. An intermolecular attractive force is added for high-density simulations, to
arxiv  

Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions [PDF]

, 2022
Abdulrahman Aldossary, Martí Gimferrer, Yuezhi Mao, Hongxia Hao, Akshaya Kumar Das, Pedro Salvador, Teresa Head‐Gordon, Martin Head‐Gordon   +7 more
openalex   +1 more source

Chiral Engineered Biomaterials: New Frontiers in Cellular Fate Regulation for Regenerative Medicine

Advanced Functional Materials, Volume 35, Issue 20, May 16, 2025.
Chiral engineered biomaterials can selectively influence cell behaviors in regenerative medicine. This review covers chiral engineered biomaterials in terms of their fabrication methods, cellular response mechanisms, and applications in directing stem cell differentiation and tissue function.
Yuwen Wang, Xin Zhang, Denghui Xie, Chunying Chen, Zhifeng Huang, Zhong Alan Li   +5 more
wiley   +1 more source

Stable Radical Polymers as New Electroactive Materials: Synthesis, Properties, and Emerging Applications

Advanced Functional Materials, EarlyView.
This review covers the recent advances in the synthesis and properties of stable radical polymers (SRPs) and presents their applications in electronics, magnetics, optoelectronics, and biomedicines. The review concludes with a discussion of the challenges in radical chemistry and functionalization, while shedding light on the groundbreaking potential ...
Yufeng Xiong, Yingjiang Li, Xinfang Cui, Shiwei Li, Xiangdong Peng, Yanyun Ju, Tong Zhou, Rui Feng, Yang Zhang, Zehong Wang, Qing Wang, Lijie Dong   +11 more
wiley   +1 more source

A Physically‐Based Machine Learning Approach Inspires an Analytical Model for Spider Silk Supercontraction

Advanced Functional Materials, Volume 35, Issue 15, April 10, 2025.
Starting from an experimental database, a physically‐based machine learning approach is used to gain new insights into spider silk supercontraction. These insights inspire a microstructure‐based analytical model that quantitatively predicts supercontraction based on protein primary structure properties. New experiments to further elucidate the physical
Vincenzo Fazio, Ali D. Malay, Keiji Numata, Nicola M. Pugno, Giuseppe Puglisi   +4 more
wiley   +1 more source

Ligand-Receptor Interactions

, 2008
The formation and dissociation of specific noncovalent interactions between a variety of macromolecules play a crucial role in the function of biological systems.
Alder B J, Alon R, Amit A G, André P, Antosiewicz J, Ashkin A, Atherton A, Atherton A, Balsera M, Beeson C, Bell G I, Bell G I, Berg H C, Berg H C, Bhat T N, Boland T, Bongrand P, Bongrand P, Brady G P, Brooks B R, Brune D, Brunk D K, Böhm H J, Böhm H J, Cantor C R, Capo C, Chesla S E, Chilkoti A, Choquet D, Chu L, Clackson T, Claesson P M, Collins F C, Connelly P R, Creighton T E, Creighton T E, Curtis A S G, Danmer U, Danmer U, Debye P, deLisi C, Dembo M, Dustin M L, Eisenberg D, Eisenberg D, Erlandsson R, Ermak D L, Evans E, Evans E, Evans E A, Evans E A, Evans E A, Evans E A, Evans E A, Eyring H, Eyring H, Fersht A, Florin E L, Gabdouline R R, Garboczi D N, Gilson M K, Goldsmith H L, Grubmüller H, Grutter M G, Hammer D A, Hammer D A, Helm C, Hill T L, Hirschefelder J O, Hoh J H, Honig B, Israelachvili J N, Israelachvili J N, Israelachvili J N, Izrailev S, Jencks W P, Jorgensen W L, Jorgensen W L, Kabat E A, Kaplanski G, Karplus M, Kishino A, Kozack R E, Kramers H A, Kuo S C, Kupfer A, Kwong D, Lawrence M B, Lawrence M B, Leckband D E, Leckband D E, Lee B, Lee C Y, Lee G U, Liebert R B, Lollo B A, London F, Maitland G C, Margenau H, Marston S B, Martorana V, McClay D R, McCloskey M A, Merkel R, Metropolis M, Meyhöfer E, Miyamoto S, Moy V T, Nishizaka T, Northrup S H, Northrup S H, Ooi T, Page M J, Palecek S P, Pangali C, Patel K D, Pauling L, Pierres A, Pierres A, Pierres A, Piper J W, Pratt L R, Richards F F, Richards F M, Rossky P J, Sato M, Schmid-Schöenbein G W, Schoup D, Schreiber G, Schuster P, Schwartz L, Smith S B, Sommerfeld A, Sommerfeld A, Steward M W, Stone S R, Stossel T P, Strick T R, Sturtevant J M, Szabo A, Szabo A, Szczesniak M M, Tees D F, Tha S P, Tsao Y H, Tulip W R, Vajda S, Valentine R C, van der Merwe P A, Vinckier A, von Andrian U H, von Fuchs, von Smoluchowski M, Voss Jr E W, Weast R C, Weber P C, Williams A-F, Winter C C, Wurmser R, Zurkhov S N   +159 more
core   +1 more source

Hierarchically Engineered Triple‐Defensive Antifouling Coating with Well‐Regulated Structure for Enhanced Wastewater Treatment

Advanced Functional Materials, Volume 35, Issue 16, April 18, 2025.
Inspired by shark skin, which has a hydrophilic “denticle layer” and a low surface energy “mucus layer,” a triple‐defense antifouling coating is developed. This coating features a robust hydrophilic catalytic nanoparticle layer overlaid with dispersed hydrophobic perfluoro‐silane domains, optimizing fouling resistance, release, and degradation for ...
Wenshuai Yang, Dan Yang, Ziqian Zhao, Charley Huang, Bin Yan, Yun Liu, Ling Zhang, Lu Gong, Hongbo Zeng   +8 more
wiley   +1 more source

An Ab Initio Investigation of the Geometries and Binding Strengths of Tetrel-, Pnictogen-, and Chalcogen-Bonded Complexes of CO2, N2O, and CS2 with Simple Lewis Bases: Some Generalizations

Molecules, 2018
Geometries, equilibrium dissociation energies (De), and intermolecular stretching, quadratic force constants (kσ) are presented for the complexes B⋯CO2, B⋯N2O, and B⋯CS2, where B is one of the following Lewis bases: CO, HCCH, H2S, HCN, H2O, PH3 ...
Ibon Alkorta, Anthony C. Legon
doaj   +1 more source

Polaron Crossover in Molecular Solids

, 2004
An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach.
Das, A. N., Zoli, Marco
core   +1 more source

The breakdown of the direct relation between the density scaling exponent and the intermolecular interaction potential for molecular systems with purely repulsive intermolecular forces [PDF]

arXiv
In this work, we question the generally accepted statement that the character of intermolecular interactions can be directly determined from the scaling exponent. Based on detailed studies of polyatomic molecular systems with precisely defined and purely repulsive intermolecular potential, we show that the value of the density scaling exponent ...
arxiv