Results 231 to 240 of about 663,798 (288)

Exploring Geometrical, Electronic and Spectroscopic Properties of 2-Nitroimidazole-Based Radiopharmaceuticals via Computational Chemistry Methods. [PDF]

Molecules
Crișan G, Stan Ș, Chiș V.
europepmc   +1 more source

Computational studies of copper(II)-binding to model protein fragments, and their associated redox chemistry in an aqueous medium

, 2002
M. Jake Pushie
openalex   +1 more source

3D Bioinspired Hair‐Based Solar Evaporator for Efficient Water Harvesting

Advanced Functional Materials, EarlyView.
A bio‐derived solar evaporator inspired by blackbody radiation is developed using human hair waste. The vertically aligned hair structure enables broadband light absorption, efficient thermal localization, and rapid water transport, achieving high evaporation rates and stable desalination performance.
Yi Liu, Xuhui Sun, Jiaxian Zheng, Xiangfeng Lin, Jianqiushi Ma, Swellam Wafa Abdellatif Ali Sharshir, Liwei Wang, Meng An, Jie Wang, Yusuke Yamauchi, Zhanhui Yuan   +10 more
wiley   +1 more source

Discovery of new tetrazines for bioorthogonal reactions with strained alkenes via computational chemistry. [PDF]

RSC Adv
Májek M, Trtúšek M.
europepmc   +1 more source

High-level computational methods: assessment, development, and applications to problems in organic chemistry and biochemistry

, 2017
Li‐Juan Yu
openalex   +1 more source

Biosupercapacitors for Human‐Powered Electronics

Advanced Functional Materials, EarlyView.
Biosupercapacitors are emerging as biocompatible and integrative energy systems for next‐generation bioelectronics, offering rapid charge–discharge performance and mechanical adaptability. This review systematically categorizes their applications from external to organ‐level systems and highlights their multifunctional roles in sensing, actuation, and ...
Suhyeon Kim, Seungho Baek, Woojung Jung, Hayeon Bae, Junyoung Mun, Yong Ho Kim, Sunkook Kim, Jung Ho Kim   +7 more
wiley   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

THE POTENTIAL AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS OF JATROPHONE FROM JATROPHA PODAGRICA THROUGH MOLECULAR DYNAMIC INTERACTION WITH PENICILLIN-BINDING PROTEIN 2A: INSIGHTS FROM COMPUTATIONAL CHEMISTRY ANALYSIS

Trần Mạnh Hùng, Trương Phú Chí Hiếu, Nguyen Thị Thanh Van, Светлана Носкова, Phu Tran Vinh Pham   +4 more
openalex   +1 more source

Ichor: A Python library for computational chemistry data management and machine learning force field development [PDF]

Yulian T. Manchev, Matthew J. Burn, Paul L. A. Popelier   +2 more
openalex   +1 more source