Results 181 to 190 of about 9,273,531 (285)

Efficient Synthesis of Chemically Recyclable Polyamides via Substituent Effects-Enabled Mechanistic Pathway. [PDF]

Angew Chem Int Ed Engl
Ma Y, Zheng C, Raphaël Bréas D, Slor G, Molleyres APA, Liao Q, Stellacci F.   +6 more
europepmc   +1 more source

Computational and Data‐Driven Strategies for Lignocellulosic Biomass Valorization: From Multiscale Modeling to Digitalized Biorefinery Design

Advanced Science, EarlyView.
This Review critically connects structural recalcitrance, molecular modeling, solvent and catalyst design, pyrolysis, machine learning, reactor simulation, and FAIR digital infrastructure. Emphasis is placed on experimentally validated information transfer across scales, uncertainty and applicability domains, and the recycle, durability, techno ...
Abdullahi Bello Umar, Jiaxian Zheng, Xiangfeng Lin, Hongwu Liao, Haoqian Xu, Yufei Huang, Zaharaddeen Nasiru Garba, Adamu Uzairu, Weiwei Zhao, Zhanhui Yuan   +9 more
wiley   +1 more source

Zwitterionic Pathway in the Diels-Alder Reaction: Solvent and Substituent Effects from ωB97XD/6-311G(d) Calculations. [PDF]

Molecules
Łapczuk A.
europepmc   +1 more source

Engineering an Artificial Metalloenzyme for Efficient Photo‐Enzymatic CO2 Conversion

Advanced Science, EarlyView.
We built a light‐driven artificial metalloenzyme by covalently conjugating formate dehydrogenase (FDH) with a tailored rhodium complex (Rh‐L6) to overcome spatial‐separation‐limited electron transfer. This integration boosts NADH regeneration and CO2 conversion, giving 2.31‐fold higher formate yield than physical mixtures, due to a narrowed bandgap and
Mengxue Kang, Yan Chu, Zhichun Xu, Jiao Feng, Ganlu Li, Kequan Chen, Hui Li   +6 more
wiley   +1 more source

Development and Validation of Atomic Group Descriptors for Substituent Effects. [PDF]

J Comput Chem
Lefrancois-Gagnon K, Mawhinney R.
europepmc   +1 more source

Self‐Healing Pd(II) Cage Metallogels for Iodine Capture in Water and Heterogeneous Photocatalysis

Advanced Science, EarlyView.
Two carbazole‐derived metal‐organic cages hierarchically self‐assemble into supramolecular metallogels that integrate autonomous self‐healing, reversible stimuli responsiveness, high‐capacity aqueous iodine capture, and visible‐light‐driven photocatalytic sulfide oxidation within a single multifunctional platform.
Monotosh Dalapati, Raghunath Singha, Debashree Manna, Dipak Samanta   +3 more
wiley   +1 more source

Regulating Oxygen‐Mediated Reconstruction during Cooling: A New Design Principle for High‐Capacity Sodium Manganese Oxide Cathodes

Advanced Science, EarlyView.
The cooling process during the solid‐state synthesis of sodium manganese oxides governs oxygen‐mediated reconstruction. Slow cooling promotes a stacking‐fault‐rich framework that suppresses Mn migration, mitigates O2 release, and stabilizes oxygen redox with reduced voltage hysteresis.
Seungmin Lee, Daseul Han, Jae‐Ho Park, Eunji Kwon, Elang Barruna, Sang Hyuk Gong, Mingony Kim, Yiseul Yoo, Seungho Yu, Kyung Yoon Chung, Kyung‐Wan Nam, Se Young Kim, Hyung‐Seok Kim   +12 more
wiley   +1 more source

Triarylpyrylium-based fluorescent DNA-binding dyes - facile synthesis, substituent effects, and sensing mechanism. [PDF]

RSC Adv
Domahidy F, Cseri L, Turczel G, Huszár B, Rózsa BJ, Mucsi Z, Kovács E.   +6 more
europepmc   +1 more source

Phosphine Coordination to Ce, Nd, Np, and Pu in ArBiAMPtBu‐Supported Complexes and Their 2H and 13C Isotopologues

Advanced Science, EarlyView.
A dianionic ligand designed to encourage metal‐phosphine coordination—bis((3,5‐dimethylphenyl)amidomethyl)tertbutylphosphine (ArBiAMPtBu)—was employed in the synthesis of paramagnetic complexes of Ce, Nd, Np, and Pu, producing MI(ArBiAMPtBu)(thf)3.
Novan A. G. Gray, Yury Minko, Brenna K. Cashman, R. Joseph Lastowski, Adam R. Altenhof, Harris E. Mason, Daniel J. Lussier, Frank MacGregor, Andrew J. Gaunt, Aaron M. Tondreau   +9 more
wiley   +1 more source

In Silico Study About Substituent Effects, Electronic Properties, and the Biological Potential of 1,3-Butadiene Analogues. [PDF]

Int J Mol Sci
Kula K, Kuś E.
europepmc   +1 more source