Results 201 to 210 of about 174,741 (346)

Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy. [PDF]

Angew Chem Int Ed Engl, 2016
Piccini G, Alessio M, Sauer J.
europepmc   +1 more source

Genetic Control of Tissue Remodeling by a Non‐Coding SNP in ITGA8 Explains Carotenoid‐Based Color Polymorphism in Marine Mollusks

Advanced Science, EarlyView.
In this study, the orange‐muscle giant abalone (Haliotis gigantea) is used as a model to identify a non‐coding SNP that disrupts the interaction between ITGA8 pre‐mRNA and the splicing factor ILF2, leading to altered ITGA8 splicing. These splicing changes promote carotenoid accumulation in abalone muscle through the regulation of tissue remodeling ...
Xiaohui Wei, Wenzhu Peng, Zekun Huang, Bingye Yang, Yiyu Wu, Minzhen Han, Yi Wang, Bingling Peng, Guosheng Hu, Jiawei Hong, Guijia Liu, Linwei Nie, Yang Gan, Miaoqin Huang, Xuan Luo, Weiwei You, Wen Liu, Caihuan Ke   +17 more
wiley   +1 more source

Which <i>ab initio</i> calculation methods describe the charge transfer in ionic liquid vapors? Case study on EMIM-OTF reveals the frontier orbitals and the ionization threshold. [PDF]

RSC Adv
Kuusik I, Kivimäki A, Kisand V.
europepmc   +1 more source

Ab-initio calculations of physical properties of alkali chloride XCl (X = K, Rb and Li) under pressure

, 2015
Bahattin Erdinç, Mehmet Nurullah Secuk, Murat Aycibin, Sinem Erden Gülebagan, Emel Kılıt Dogan, Harun Akkuş   +5 more
openalex   +1 more source

Facilitated alkali ion transfer at the water 1,2-dichloroethane interphase: Ab-initio calculations concerning alkaline metal cation - 1,10-phenanthroline complexes [PDF]

, 1997
Cristián G. Sánchez, S.A. Dassie, Ana M. Baruzzi, Ezequiel P. M. Leiva   +3 more
openalex   +1 more source

Development and Structural Characterization of UTE‐156, a Covalent Inhibitor of the VCP/p97 AAA+ ATPase

Advanced Science, EarlyView.
The AAA+ ATPase Valosin‐containing protein (VCP/p97) regulates protein homeostasis by unfolding ubiquitinated substrates. Here, we describe UTE‐156, a novel irreversible covalent inhibitor that modifies Cys522 in the D2 ATPase motor domain. Although its pharmacochemical limitations preclude immediate therapeutic use, UTE‐156 serves as a valuable ...
Daniela Tamayo‐Jaramillo, Subramanya Hegde, Xuan Jia, Kimberly Coffman, Hariprasad Vankayalapati, David Bearss, Kevin B. Jones, Alex W. Stark, Peter S. Shen   +8 more
wiley   +1 more source

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys

Advanced Science, EarlyView.
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin, Cheng‐Wei Lee, Nate S.P. Bernstein, Thi Nguyen, Ande Bryan, Eli Cooper, John S. Mangum, Sage R. Bauers, Andriy Zakutayev, Keisuke Yazawa, Prashun Gorai, Rebecca W. Smaha   +11 more
wiley   +1 more source

Transmission of Radio‐Frequency Waves and Nuclear Magnetic Resonance in Lanthanum Superhydrides

Advanced Science, EarlyView.
1H NMR and radio‐frequency transmission measurements of lanthanum superhydrides at 165 GPa reveals a transition at 260–280 K by a strong suppression of the signal intensity, significant changes in NMR spectra, including a dramatic decrease of the relaxation rate 1/T1T, and pronounced shielding effect, which may have a superconducting nature.
Dmitrii V. Semenok, Florian Bärtl, Di Zhou, Toni Helm, Sven Luther, Joachim Wosnitza, Ivan A. Troyan, Viktor V. Struzhkin, Hannes Kühne   +8 more
wiley   +1 more source

Interfacial Synergy in a Band‐Aligned Low‐Dimensional Heterojunction Toward Broadband Photodetection

Advanced Science, EarlyView.
Monolithically integrating sensing and communication, a Ta2NiSe5/Sb2Te3 heterojunction achieves visible‐to‐near‐infrared photovoltaics with high‐speed terahertz photo‐thermoelectric detection at room temperature. By engineering a Type‐II van der Waals heterojunction, we overcome the intrinsic spectral limitations and disparate physical requirements of ...
Yuanfeng Wen, Kening Xiao, Yao Yang, Mengjie Jiang, Libo Zhang, Shicong Hou, Hang Ma, Yunduo Zhang, Wenqi Mo, Yiran Tan, Bolang Peng, Jinqiu Huang, Xueyuan Wei, Chunming Liu, Bangjian Zhao, Jiale He, Qing Li, Songyuan Ding, Yi Zhou, Guanhai Li, Xiaoshuang Chen   +20 more
wiley   +1 more source