Results 131 to 140 of about 1,416,280 (277)

Theoretical monitoring of aromaticity induction from noble gases to Borole structure

Scientific Reports
Density functional theory (DFT) calculations were conducted to examine the inductive charge transferring from noble gas (Ng) atoms to borole structure. The calculations indicate that all noble gas atoms especially heavier ones can induce charge to the B ...
Ayda Atri, Morteza Rouhani, Zohreh Mirjafary   +2 more
doaj   +1 more source

Specific Position of Halogen in Crystalline TADF Scintillators Enables Efficient Triplet Harvesting Through Vibrational Modulation of Spin–Orbit Coupling

Advanced Materials, EarlyView.
Specific ortho‐halogenation transforms crystalline TADF emitters into efficient organic scintillators. Fluorine reduces the effective singlet–triplet separation, while chlorine combines near‐degenerate excited states with vibrational modulation of spin–orbit coupling.
Illia E. Serdiuk, Michał Mońka, Artur Sikorski, Konrad J. Drozdowski, Mohanad S. Eid, Krzysztof Wisniewski, Damian Trzybiński, Marcin E. Witkowski, Winicjusz Drozdowski   +8 more
wiley   +1 more source

Sustainable and Multifunctional Natural Macromolecular Polymers for Aqueous Zn Metal Batteries

Advanced Materials, EarlyView.
We comprehensively review the structure‐function relationships and regulatory mechanism of natural macromolecular polymers in stabilizing zinc anodes at the microscopic and mesoscopic scales. The interactions among polymer structures, optimization strategies, and regulatory mechanisms are discussed systematically summarizing recent related research ...
Yunuo Shi, Bo Jiang, Jingcheng Zhang, Xiaodong Shao, Peixun Xiong, Lutong Shan, Shengyang Huang, Mengfang Liang, Mengyao Chang, Fangyan Liu, Wenwu Li, Baoyu Xia, Wei Ji, Ho Seok Park   +13 more
wiley   +1 more source

QUBO Problem Formulation of Fragment-Based Protein–Ligand Flexible Docking

Entropy
Protein–ligand docking plays a significant role in structure-based drug discovery. This methodology aims to estimate the binding mode and binding free energy between the drug-targeted protein and candidate chemical compounds, utilizing protein tertiary ...
Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake, Yutaka Akiyama   +3 more
doaj   +1 more source

S‐Nitrosothiols as Thiol‐Protecting Groups for Controlled Thiol‐Maleimide Crosslinking of Homogeneous Soft Hydrogels

Advanced Materials, EarlyView.
Rapid thiol‐maleimide addition frequently outpaces mixing, resulting in heterogeneous hydrogels. S‐nitrosothiols act as thiol‐protecting groups, allowing uniform mixing with maleimide‐functionalized polymers before gelation. Sodium thiosulfate or sodium ascorbate then regenerates thiols on demand, triggering controlled thiol‐maleimide crosslinking ...
Julian A. Serna, Michelle J. Iwohn, Maximilian Seifermann, Stefan Heißler, Maike Schliephake, Franziska Dopp, Claudia Muhle‐Goll, Pavel A. Levkin   +7 more
wiley   +1 more source

Cation‐π Interaction‐Based Biointerface for Low‐Cost PD‐1 Detection Toward NSCLC Immunotherapy Monitoring

Advanced Materials Interfaces, EarlyView.
A cation‐π interaction‐based biointerface is engineered on a CNT‐FET for label‐free detection of PD‐1. PD‐1 monoclonal antibodies are orientedly immobilized via cation‐π interactions between PCz‐wrapped semiconducting single‐walled carbon nanotubes and the Fc region of the monoclonal antibody.
Chunmin Jia, Yimin Lei, Hong Xu, Xin Meng, Yuxiang Wei, Peixian Li, Xiaohua Ma, Yue Hao, Xiaohui Jia   +8 more
wiley   +1 more source

Computational Insights into Acrylamide Fragment Inhibition of SARS-CoV-2 Main Protease

Current Issues in Molecular Biology
The pathogen of COVID-19, SARS-CoV-2, has caused a severe global health crisis. So far, while COVID-19 has been suppressed, the continuous evolution of SARS-CoV-2 variants has reduced the effectiveness of vaccines such as mRNA-1273 and drugs such as ...
Ping Chen, Liyuan Wu, Bo Qin, Haodong Yao, Deting Xu, Sheng Cui, Lina Zhao   +6 more
doaj   +1 more source

Al2O3 Ring Array by Infiltration Synthesis in Polystyrene Antidot Template

Advanced Materials Interfaces, EarlyView.
Different morphologies, such as full dots for genuine PS‐b‐PMMA, residual dots for the PS antidot array (resulting from an Acetic Acid (AA) last PS‐b‐PMMA), and rings for the modified PS antidot array (derived from an O2 plasma last PS‐b‐PMMA), originated from SIS process in PS‐b‐PMMA BCP array, due to the different reaction sites for the TMA precursor
Gabriele Seguini, Alessia Motta, Jacopo Frascaroli, Guido Rademaker, Ahmed Gharbi, Raluca Tiron, Michele Perego, Graziella Tallarida   +7 more
wiley   +1 more source

Reprogramming the lipid peroxidation product 4-ONE as a chemoselective cleavable crosslinker

Nature Communications
Lipid peroxidation products modify proteins during oxidative stress, but the residue-pair connectivity and structural consequences of these reactions remain difficult to define.
Zachary E. Paikin, John M. Talbott, Anthony M. Ciancone, Samrat Kundu, Sukhendu Manna, Bao Quang Gia Le, Hitendra Negi, Kylie J. Walters, Francis J. O’Reilly, Monika Raj   +9 more
doaj   +1 more source

Molybdenum Disulfide Bilayers Hybridized With Reduced Graphene Oxide Nanosheets for Enhanced Hydrogen Evolution Reaction

Advanced Materials Interfaces, EarlyView.
The integration of reduced graphene oxide nanosheet‐hybridized molybdenum disulfide bilayers to enhance hydrogen evolution reaction capabilities unveils thrilling opportunities for strain engineering, defect manipulation, and sophisticated twist‐angle assemblies with 2D heterostructures.
Bruno Ferreira Brischi, Gabriela Frajtag, João Pedro da Silva Mariano, Laís Fernanda Medeiros Ruela, Gustavo Duarte Verçosa, Camila Desiderio Fernandes, Murilo Santhiago, Letícia Mariê Minatogau Ferro, Leandro Merces   +8 more
wiley   +1 more source