Results 121 to 130 of about 2,372,774 (365)

Effective Penetration of the Oxidized Keratin‐Rebonding Materials Into Hair Shafts Based on Charge Conversion

Advanced Healthcare Materials, EarlyView.
We have developed a smart hair‐repair ingredient based on β‐carboxylic acid amide that undergoes negative‐to‐positive charge conversion under mildly acidic conditions. The initial negative charge facilitates deep penetration into the hair fiber, while the subsequent positive charge enables re‐bonding with sulfonate groups in damaged hair keratin.
Sunyoung Kang, Serena Serin Park, Sugyeong Jeong, Seoyeon Kyung, Minjae Kim, Seok Kyun Yun, Hyun‐Na Kim, Seunghyun Kang, Yan Lee   +8 more
wiley   +1 more source

Thermal rectifier from deformed carbon nanohorns

, 2008
We study thermal rectification in single-walled carbon nanohorns (SWNHs) by using non-equilibrium molecular dynamics (MD) method. It is found that the horns with the bigger top angles show larger asymmetric heat transport due to the larger structural ...
Baowen Li, Bonetto F, Brenner D W, Gang Wu, Yang N   +4 more
core   +1 more source

Pioneering the Future: Principles, Advances, and Challenges in Organic Electrodes for Aqueous Ammonium‐Ion Batteries

Advanced Materials, Volume 37, Issue 13, April 2, 2025.
Leveraging the numerous advantages of ammonium‐ion (NH₄⁺)—including cost‐effectiveness, low corrosiveness, preferential orientation, and rapid diffusion kinetics—aqueous NH₄⁺ batteries (AAIBs) have gained significant attention. This review highlights and evaluates the progress of AAIBs utilizing organic electrode materials such as small molecules ...
Mangmang Shi, Xiaoyan Zhang
wiley   +1 more source

Atomic force microscopy simulations for CO-functionalized tips with deep learning

Machine Learning: Science and Technology
Atomic force microscopy (AFM) operating in the frequency modulation mode with a metal tip functionalized with a CO molecule is able to image the internal structure of molecules with an unprecedented resolution. The interpretation of these images is often
Jaime Carracedo-Cosme, Prokop Hapala, Rubén Pérez   +2 more
doaj   +1 more source

Implementation of non-uniform FFT based Ewald summation in Dissipative Particle Dynamic method

, 2013
The ENUF method, i.e., Ewald summation based on the Non-Uniform FFT technique (NFFT), is implemented in Dissipative Particle Dynamics (DPD) simulation scheme to fast and accurately calculate the electrostatic interactions at mesoscopic level. In a simple
Laaksonen, Aatto, Lu, Zhong-Yuan, Wang, Yong-Lei   +2 more
core   +1 more source

Structure, Flexibility and Intramolecular Forces Observed on Individual Proteins Using Afm

Microscopy and Microanalysis, 1999
Abstract Atomic force microscopy (AFM) allows the surfaces of native biological macromolecules to be imaged in aqueous solution with submolecular resolution. Short range forces govern the interactions between the AFM tip and the sample and produce the submolecular information of high resolution topographs.
Daniel J Müller, Andreas Engel
openaire   +1 more source

Unravelling the Atomic Structure of a Metal‐Covalent Organic Framework Assembled from Ruthenium Metalloligands

Advanced Materials, Volume 37, Issue 13, April 2, 2025.
Metal‐covalent organic frameworks (MCOFs) are novel porous materials that exhibit the advantages of covalent and metal‐organic frameworks. However, it is extremely difficult to resolve their atomic structure and better understand their structure‐properties relation. This work utilizes a synergistic combination of advanced microscopy, spectroscopic, and
Seán Hennessey, Roberto González‐Gómez, Nicolás Arisnabarreta, Anna Ciotti, Jing Hou, Nadezda V. Tarakina, Andrey Bezrukov, Kunal S. Mali, Michael Zaworotko, Steven De Feyter, Max García‐Melchor, Pau Farràs   +11 more
wiley   +1 more source

Toward a general neural network force field for protein simulations: Refining the intramolecular interaction in protein [PDF]

, 2023
Pan Zhang, Weitao Yang
openalex   +1 more source

Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions.

Journal of Chemical Theory and Computation, 2019
Molecular dynamics (MD) simulations became a leading tool for investigation of structural dynamics of nucleic acids. Despite recent efforts to improve the empirical potentials (force fields, ffs), RNA ffs have persisting deficiencies, which hamper their ...
Petra Kührová, V. Mlýnský, Marie Zgarbová, Miroslav Krepl, G. Bussi, R. Best, M. Otyepka, J. Šponer, P. Banáš   +8 more
semanticscholar   +1 more source

Intrinsically Disordered Protein‐Inspired Nanovector‐Based Coacervates for the Direct Cytosolic Transport of Biomacromolecules

Advanced Materials, EarlyView.
Intrinsically disordered protein‐inspired nanovectors (IDP‐NVs) form stable nanocoacervates (NCs) with diverse biomacromolecules. In situ conformational changes confer stability and adaptability to NCs under dynamically changing physiological conditions.
Soyeong Jin, Hyemin Park, Seuk‐Min Ryu, Dagyeong Guk, Jaeeun Lee, Seongeon Jin, Changjoon Keum, Jinyoung Park, Myoung‐Hwan Park, Chaekyu Kim, Hojun Kim, Jaegeun Noh, Kwan Hyi Lee, Ja‐Hyoung Ryu, Youngdo Jeong   +14 more
wiley   +1 more source