Results 131 to 140 of about 129,978 (318)

An Elastocaloric Polymer with Ultra‐High Solid‐State Cooling via Defect Engineering

Advanced Science, EarlyView.
This work reports a defect‐engineering strategy that enables a record‐high adiabatic temperature change of up to 8.14 ± 1.76 °C in elastomers at an elevated temperature above 65 °C. Combined experimental and theoretical efforts reveal that increasing dangling‐chain defects nonmonotonically impacts the elastocaloric cooling performance of polymers due ...
Zhaohan Yu, Duo Xu, Zumrat Usmanova, Chuwei Ye, Aditya Swarnkar, Emma Scott, Sizhe Huang, Siyuan Rao, Xinyue Liu, Svetlana V. Boriskina, Ruobing Bai, Shaoting Lin   +11 more
wiley   +1 more source

Advancing predictive modeling in computational chemistry through quantum chemistry, molecular mechanics, and machine learning

Discover Chemistry
Computational chemistry plays a critical role in advancing molecular science by bridging theoretical frameworks and experimental observations. It provides detailed insight into the structural, electronic, and reactive properties of molecules and ...
Adekunle B. Rowaiye, Abiodun Abidemi Folarin, Tobilola Akingbade, Joy C. Okoli, Oluwabukunmi Ifedamola Rowaiye, Temitope Ruth Folorunso, Doofan Bur   +6 more
doaj   +1 more source

Review on molecular modeling-facilitated design of porous membranes

Advanced Membranes
Molecular modeling techniques are regarded as an effective approach to study various advanced membranes at the microscale. These investigations of porous membranes are devoted to better understanding their chemical structures, pore topology and ...
Wei Yang, Meina Xiong, Dongliang Jin, Jing Zhong   +3 more
doaj   +1 more source

Multi‐Tissue Genetic Regulation of RNA Editing in Pigs

Advanced Science, EarlyView.
This study presents the first multi‐tissue map of RNA editing and its genetic regulation in pigs. By integrating RNA editing profiles, edQTL mapping, GWAS, and cross‐species comparisons, this work establishes RNA editing as a distinct regulatory layer linking genetic variation to complex traits, highlighting its functional and evolutionary significance.
Xiangchun Pan, Wentao Gong, Xiaodian Cai, Jinyan Teng, Jiali Cai, Haonan Zeng, Wondossen Ayalew, Qingpeng Shen, Zhanming Zhong, Yifei Wang, Wenjing Zhang, Yuhan Tian, Dantong Xu, Yahui Gao, Hongwei Yin, Yuebo Zhang, Jiahui Hou, Tianru Zhou, Jiaqi Li, Lingzhao Fang, Xiaolong Yuan, Zhe Zhang   +21 more
wiley   +1 more source

Development of Novel Analgesics Related to TRPV1 Antagonism – In Silico Approach

Acta Chimica Slovenica
In the context of pharmacological intervention for pain, Transient Receptor Potential Vanilloid, member 1 (TRPV1), as a non-selective cation channel belonging to the transient receptor potential (TRP) family of ion channels, has emerged as a promising ...
Mladjan Golubovic, Velimir Peric, Marija Stosic, Vladimir Stojiljkovic, Tomislav Kostic, Aleksandar Kamenov, Milan Lazarevic, Dalibor Stojanović, Aleksandar Veselinovic   +8 more
doaj   +1 more source

Atomic Structure of Zro2-Doped Li2o–Sio2-Based Multi-Component Glasses: Molecular Dynamics–Reverse Monte Carlo Modeling Based on Anomalous X-Ray and Neutron Scattering Data

, 2023
Ryuichiro Toyoda, Keisuke Usui, Tomoya Hirota, Koji Kimura, Yohei Onodera, Maria Rita Cicconi, Renan Belli, Martin Brehl, Julia Lubauer, Ulrich Lohbauer, Hiroo Tajiri, Kazutaka Ikeda, Tomokatsu Hayakawa, Dominique de Ligny, Shinji Kohara, Kouichi Hayashi   +15 more
openalex   +1 more source

Generating large starting configurations for molecular Reverse Monte Carlo modelling of an unique non-linear optical amorphous solid [PDF]

, 2020
Benjamin Danilo Klee, B. Paulus, Shinya Hosokawa, Michael T. Wharmby, Eike Dornsiepen, Stefanie Dehnen, W-C Pilgrim   +6 more
openalex   +1 more source

Critical Limitations in Cryogenic Laser Cooling of Solids: Symmetry‐Related Fluorescence Trapping and Condensation‐Induced Parasitic Heating

Advanced Science, EarlyView.
This study uncovers two overlooked bottlenecks in cryogenic laser cooling of solids: symmetry‐driven fluorescence trapping and water vapor condensation. We demonstrate that breaking sample symmetry enhances fluorescence escape, while condensation dominates parasitic heating below 135 K.
Biao Zhong, Jiayi Zhang, Haodong Yang, Lianzhong Deng, Mauro Tonelli, Ercang Luo   +5 more
wiley   +1 more source

Engineering Active Metal and Nonmetal Sites in Porous Structures of Metal‐Hydroxide Clusters for Enhanced D2/H2 Uptake and Separation

Advanced Science, EarlyView.
Two supramolecular assembly frameworks, constructed from metal‐hydroxide clusters, are synthesized via coordination‐driven self‐assembly mediated by Co2+ and Cu2+ metal centers. One of them demonstrates exceptional D2 and H2 uptake capabilities, achieving the second‐highest uptake capacity for D2.
Zhuozhou Xie, Zhu Zhuo, Zi‐Ang Nan, Qing Li, Wenlin Wu, Yunzhe Zhou, Zi‐Xiu Lu, Jin Liu, Luyao Liu, Wenjing Wang, Daqiang Yuan, You‐Gui Huang   +11 more
wiley   +1 more source

VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search

, 2023
Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno   +5 more
openalex   +1 more source