Results 221 to 230 of about 153,461 (281)

A Covalent 3D CNT@rGO Nano-Hybrid for High-Efficiency Conductivity in Lithium-Ion Batteries. [PDF]

Adv Sci (Weinh)
Tang J, Pang J, Wang J, Liang H, Du A, Kuang L, Cai X, Qin M, Yan C, Zhou W, Cai J.   +10 more
europepmc   +1 more source

Electronic Structure Reorganization in MPS3 via d‐Shell‐Selective Alkali Metal Doping

Advanced Science, EarlyView.
Alkali metal doping of layered MPS3 antiferromagnets reveals d‐shell‐selective responses. While MnPS3 resists charge transfer due to its half‐filled 3d5 shell, FePS3 and NiPS3 behave similarly to CoPS3 by accommodating extra d‐electrons. Yet only CoPS3, with its least stable d‐shell, undergoes pronounced band restructuring and a semiconducting‐to ...
Jonah Elias Nitschke, Preeti Bhumla, Till Willershausen, Patrick Merisescu, David Maximilian Janas, Lasse Sternemann, Michael Gutnikov, Karl Schiller, Valentin Mischke, Michele Capra, Mira Sophie Arndt, Silvana Botti, Mirko Cinchetti   +12 more
wiley   +1 more source

Implicit Solvent Models and Their Applications in Biophysics. [PDF]

Biomolecules
Severoglu YB, Yuksel B, Sucu C, Aral N, Uversky VN, Coskuner-Weber O.   +5 more
europepmc   +1 more source

A Perspective on the Applications of Triphasic Gas Storage in Electrochemical Systems

Advanced Science, EarlyView.
Gas storage in microporous materials positioned locally at an electrode or electrocatalyst surface enhances electrochemical processes. Abstract Microporous materials store gases under dry conditions (e.g., hydrogen or oxygen via physisorption), but in some cases microporous materials also show triphasic (e.g., in a solid|gas|liquid system) gas storage ...
Zhongkai Li, Corin T. Scott, Taku Suzuki‐Osborne, John P. Lowe, Dominic Taylor, Mariolino Carta, Neil B. McKeown, Andrew D. Burrows, Lucia H. Mascaro, Frank Marken   +9 more
wiley   +1 more source

Investigating the Therapeutic Activity of C₄N as a Targeted Drug Delivery System for Acetaminophen and Thioguanine through DFT Simulations. [PDF]

ACS Omega
Nazeer M, Yar M, Ayub K, Bayach I, Almutlaq N, Al Amer K.   +5 more
europepmc   +1 more source

De Novo Multi‐Mechanism Antimicrobial Peptide Design via Multimodal Deep Learning

Advanced Science, EarlyView.
Current AI‐driven peptide discovery often overlooks complex structural data. This study presents M3‐CAD, a generative pipeline that leverages 3D voxel coloring and a massive database of over 12 000 peptides to capture nuanced physicochemical contexts.
Xiaojuan Li, Haifan Gong, Yue Wang, Yinuo Zhao, Lixiang Li, Peijing Bao, Qingzhou Kong, Jialu Fu, Boyao Wan, Yumeng Zhang, Jinghui Zhang, Jiekun Ni, Zhongxue Han, Xueping Nan, Kunping Ju, Longfei Sun, Yuerui Ma, Huijun Chang, Mengqi Zheng, Yanbo Yu, Xiaoyun Yang, Xiuli Zuo, Haina Wang, Yanqing Li   +23 more
wiley   +1 more source

Experimental study and geochemical modeling of the effect of asphaltene during smart water flooding in carbonate reservoirs. [PDF]

Sci Rep
Ghorbani-Bavariani M, Rezaei A, Ahmadi M, Vatanparast H, Hemmati-Sarapardeh A.   +4 more
europepmc   +1 more source

Halogen bonds between ligands and proteins: Can we use them in validation? [PDF]

Protein Sci
de Vries I, Tsiompanaki G, Perrakis A, Joosten RP.   +3 more
europepmc   +1 more source

Structural elucidation and interaction profiling of a novel bismuth-based organic-inorganic hybrid: (C₈H₁₄N₂)₃(BiCl₆)₂. [PDF]

RSC Adv
Alibi A, Elleuch N, Lhoste J, Amiard F, Shova S, Boujelbene M.   +5 more
europepmc   +1 more source

An Evaluation of the Interaction of Brefeldin A with Mitogen-Activated Protein Kinase 1 (MAPK1) and Protein Kinase C Alpha (PrKCα): Insights from Molecular Modelling Studies. [PDF]

Int J Mol Sci
Naidoo V, Achilonu I, Soobben M, Iwuchukwu E, Singh N, Kandhavelu J, Hull R, Mirza S, Penny C.   +8 more
europepmc   +1 more source