Results 51 to 60 of about 10,366 (238)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Decoding the genomic landscape of chromatin-associated biomolecular condensates

Nature Communications
Biomolecular condensates play a significant role in chromatin activities, primarily by concentrating and compartmentalizing proteins and/or nucleic acids.
Zhaowei Yu, Qi Wang, Qichen Zhang, Yawen Tian, Guo Yan, Jidong Zhu, Guangya Zhu, Yong Zhang   +7 more
doaj   +1 more source

Time-dependent effect of 1,6-hexanediol on biomolecular condensates and 3D chromatin organization

Genome Biology, 2021
Background Biomolecular condensates have been implicated in multiple cellular processes. However, the global role played by condensates in 3D chromatin organization remains unclear.
Xinyi Liu, Shaoshuai Jiang, Lin Ma, Jiale Qu, Longying Zhao, Xing Zhu, Junjun Ding   +6 more
doaj   +1 more source

Theory and simulations of toroidal and rod-like structures in single-molecule DNA condensation

, 2015
DNA condensation by multivalent cations plays a crucial role in genome packaging in viruses and sperm heads, and has been extensively studied using single-molecule experimental methods. In those experiments, the values of the critical condensation forces
Barbi, Maria, Caré, Bertrand R., Cortini, Ruggero, Victor, Jean-Marc   +3 more
core   +2 more sources

Optical cooling and trapping: introduction [PDF]

, 2015
The year 2015 is an auspicious year for optical science, as it is being celebrated as the International Year of Light and Light-Based Technologies. This focus issue of the journals Optics Express and Journal of the Optical Society of America B has been ...
Jones, PH, Luo, L, Marago, OM, Neves, AAR   +3 more
core   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

Advanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source

Invariant Manifolds and Rate Constants in Driven Chemical Reactions [PDF]

, 2019
Reaction rates of chemical reactions under nonequilibrium conditions can be determined through the construction of the normally hyperbolic invariant manifold (NHIM) [and moving dividing surface (DS)] associated with the transition state trajectory. Here,
Bardakcioglu, Robin, Bartsch, Thomas, Feldmaier, Matthias, Hernandez, Rigoberto, Junginger, Andrej, Lober, Melissa, Main, Jörg, Reiff, Johannes, Schraft, Philippe, Tschöpe, Martin   +9 more
core   +2 more sources

Thermo‐Fluorescent Bactericidal Quantum Dots Based Smart Multifunctional Textiles via Molecular Surface Engineering and 3D‐Printed Interlocked Architectures

Advanced Healthcare Materials, EarlyView.
A versatile approach is presented for fabricating smart multifunctional textiles by integrating thermo‐fluorescent carbon dot/polymer nanocomposite coatings with 3D‐printed interlocked architectures. The fabrics exhibit temperature‐responsive fluorescence, durable hydrophobicity, strong antibacterial and antioxidant activity, and enhanced UV protection.
Poushali Das, Sayan Ganguly, Parham Khoshbakht Marvi, Misha Muthalali, Fatemeh Parniani, Shiza Hassan, Xiaowu (Shirley) Tang, Seshasai Srinivasan, Amin Reza Rajabzadeh   +8 more
wiley   +1 more source

Tau forms synaptic nano-biomolecular condensates controlling the dynamic clustering of recycling synaptic vesicles

Nature Communications, 2023
Neuronal communication relies on the release of neurotransmitters from various populations of synaptic vesicles. Despite displaying vastly different release probabilities and mobilities, the reserve and recycling pool of vesicles co-exist within a single
Shanley F. Longfield, Mahdie Mollazade, Tristan P. Wallis, Rachel S. Gormal, Merja Joensuu, Jesse R. Wark, Ashley J. van Waardenberg, Christopher Small, Mark E. Graham, Frédéric A. Meunier, Ramón Martínez-Mármol   +10 more
doaj   +1 more source

Recapitulating Endochondral Ossification for Bone Repair: From Development to Engineering Strategy

Advanced Healthcare Materials, EarlyView.
This review summarizes the developmental basis of endochondral ossification (ECO) and its applications in bone tissue engineering (BTE). It first outlines the key biological processes and signaling pathways underlying ECO, then discusses biomaterial‐based engineering strategies derived from these principles, and finally highlights future directions for
Yiqi Su, Zihao He, Qianqian Chen, Long Chen, Caiyi Wei, Zijin Zhou, Jianhao Lin, Hui Li, Dan Xing   +8 more
wiley   +1 more source