Results 41 to 50 of about 42,404 (263)

DFT Investigation of Hydrogen Atom Abstraction from NHC-Boranes by Methyl, Ethyl and Cyanomethyl Radicals—Composition and Correlation Analysis of Kinetic Barriers

Molecules, 2020
Understanding the hydrogen atom abstraction (HAA) reactions of N-heterocyclic carbene (NHC)-boranes is essential for extending the practical applications of boron chemistry.
Hong-jie Qu, Lang Yuan, Cai-xin Jia, Hai-tao Yu, Hui Xu   +4 more
doaj   +1 more source

Mechanochemistry‐Assisted Solvent‐Free Supramolecular Engineering for Atomic‐Layered Carbon Nitride Nanosheets with Enhanced Photocatalytic Hydrogen Evolution

Advanced Functional Materials, EarlyView.
A solvent‐free mechanochemistry‐enabled supramolecular engineering strategy is developed to directly synthesize covalent‐interconnected two‐dimensional atomic‐layered carbon nitride nanosheets photocatalyst, bypassing conventional top‐down exfoliation requirements.
Fanglei Yao, Jingwen Sun, Huiru Duan, Yongsheng Fu, Jin Wang, Liming Dai, Jingsan Xu, Junwu Zhu   +7 more
wiley   +1 more source

Density, Dynamic Viscosity and Derived Properties of Binary Mixtures of Methanol, Ethanol, n-Propanol, and n-Butanol with Pyridine at T = (293.15, 303.15, 313.15 and 323.15) K

International Journal of Electrochemical Science, 2012
Densities, viscosities of binary liquid mixtures composed of pyridine and some primary alcohols namely methanol, ethanol, n-propanol and n-butanol were determined at 293.15, 303.15, 313.15 and 323.15 K.
Ezekiel D. Dikio, Simphiwe M. Nelana, David A. Isabirye, Eno E. Ebenso   +3 more
doaj   +1 more source

Tailoring Redox Active Sites with Dual‐Interfacial Electric Fields for Concurrent Photocatalytic Biomass Valorization and H2 Production

Advanced Functional Materials, EarlyView.
A rationally engineered bifunctional photocatalyst is reported, which achieves simultaneous selective oxidation of biomass‐derived 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) and efficient H2 evolution. By precisely positioning Au and Co3O4 on Zn3In2S6 nanosheet, dual interfacial electric fields are well constructed to spatially separate ...
Shiqing Li, Sugang Meng, Huijun Zhang, Alain R. Puente‐Santiago, Zhongliao Wang, Shifu Chen, Mario J. Muñoz‐Batista, Yu‐Ming Zheng, Bo Weng   +8 more
wiley   +1 more source

Strain‐Activated Photo‐Dehalogenation Unlocks Low‐Energy One and Two‐Photon 3D Microfabrication

Advanced Functional Materials, EarlyView.
5,14‐NMI‐Cz acts, conversely to its 7,10‐NMI‐Cz(7,10‐'dibromo‐2‐(2,6‐diisopropylphenyl)‐1H‐benzo[lmn]carbazolo[9,1‐bc][2,8]phenanthroline‐1,3(2H)‐dione) counterpart, as modular photoinitiator with panchromatic photoactivity, featuring a weak C–Br bond from geometric strain for efficient Type I & II initiation. These studies demonstrate applicability of
Kacper Piskorz, Katarzyna Starzak, Malgorzata Noworyta, Konrad Cyprych, Krzysztof Bartkowski, Zahra Badri, Sukhvinder Dhiman, Cina Foroutan‐Nejad, Jaroslaw Mysliwiec, Marcin Lindner, Joanna Ortyl   +10 more
wiley   +1 more source

In silico design of hydrazone antioxidants and analysis of their free radical-scavenging mechanism by thermodynamic studies

Beni-Suef University Journal of Basic and Applied Sciences, 2019
Background Antioxidants are very crucial in maintaining the normal function of body cells, as they scavenge excess free radical in the body. A set of hydrazone antioxidants was designed by in silico screening.
Ikechukwu Ogadimma Alisi, Adamu Uzairu, Stephen Eyije Abechi   +2 more
doaj   +1 more source

Harmonizing the Pyrene and Ether Groups in Covalent Triazine Polymers for Highly Effective H2O2 Photosynthesis via One‐Step Two‐Electron Oxygen Reduction

Advanced Functional Materials, EarlyView.
The pyrene and ether groups are incorporated into the covalent triazine polymer (CTP) structure. The synergistic effect of the two functional groups endows CTP with better electron transfer, light absorption, and oxygen activation properties. An impressive apparent quantum yield (13.2% @420 nm) and a remarkable solar‐to‐chemical conversion efficiency ...
Chong Wang, Jinliang Lv, Yichun Lu, Hanfeng Ye, Xuan Zhang, Leonardo Cancellara, Nadezda Tarakina, Jiande Lin, Xin Gao, Oleksandr Savateev, Jiajia Cheng   +10 more
wiley   +1 more source

Gibbs Free Energy and Enthalpy–Entropy Compensation in Protein–Ligand Interactions

Biophysica
The thermodynamics of protein–ligand interactions seems to be associated with a narrow range of Gibbs free energy. As a consequence, a linear enthalpy–entropy relationship showing an apparent enthalpy–entropy compensation (EEC) is frequently associated ...
Juan S. Jiménez, María J. Benítez
doaj   +1 more source

Modeling of Structure, Thermodynamic Properties and Phase Transition Temperaturesof II-VI Crystals [PDF]

Журнал нано- та електронної фізики, 2016
The work is devoted to the theoretical calculations and experimental study of important thermodynamic parameters of II-VI crystals. Cubic sphalerite and hexagonal wurtzite cluster models of polymorphs for stoichiometric II-VI crystals (ZnX, CdX; X = S ...
T.O. Parashchuk
doaj   +1 more source

Multi‐Ion Doping Controlled CEI Formation in Structurally‐Stable High‐Energy Monoclinic‐Phase NASICON Cathodes for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
The graphical abstract illustrates the synthesis pathway, morphological feature, and thermodynamic feasibility of entropy‐engineered NASICON cathodes for sodium‐ion batteries. Abstract Overcoming the energy density limitations of sodium‐ion batteries (NIBs) requires innovative strategies to optimize cathode materials.
Sharad Dnyanu Pinjari, Vignesh Mahalingam, Purandas Mudavath, Malavika Aarayil, Tasdique Arman, Ipsita Pal, Dipan Kundu, Raghavan Ranganathan, Ashok Kumar Nanjundan, Rohit Ranganathan Gaddam   +9 more
wiley   +1 more source