Results 81 to 90 of about 64,700 (251)

Unveiling Mechanisms of SEI Formation and Sodium Loss in Sodium Batteries via Interface Reactor Sampling

Advanced Science, EarlyView.
An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu, Ziliang Wang, Zherui Chen, Jianchun Sha, Fengzijun Pan, Pingyang Zhang, Yinghe Zhang   +6 more
wiley   +1 more source

Generalizable Strategies for the Synthesis of Cereblon‐Recruiting PROTAC Prodrugs

Angewandte Chemie, EarlyView.
Cereblon‐recruiting PROTACs remain challenging to derivatize for prodrug‐based delivery. In this study, three complementary conjugation strategies enabled the efficient synthesis of cleavable PROTAC prodrugs with tunable release kinetics that can be incorporated into a library of PEGylated constructs and bottlebrush prodrugs.
Aiden X. Wang, Bin Liu, Elise M. Ackerman, Yichen Xiang, Hung V.‐T. Nguyen, Yivan Jiang, Angela N. Koehler, Jeremiah A. Johnson   +7 more
wiley   +2 more sources

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

Advanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su, Xitao Wang, Musen Li, Guanhua Qin, Shunbo Hu, Tong‐Yi Zhang   +5 more
wiley   +1 more source

[O─I─O]+ Halogen‐Bonded Complexes of Pyridine N‐Oxides

Angewandte Chemie, EarlyView.
The missing puzzle of 3‐center‐4‐electron halogen‐bonded complexes viz. [O─I─O]+ of pyridine N‐oxides are structurally characterized by x‐ray diffraction. Monodentate N‐oxide O‐atom acts as the halogen bond acceptor. Their solution complexations are characterized by 15N NMR spectroscopy.
Rakesh Puttreddy, Sergi Burguera, Antonio Frontera, Kari Rissanen   +3 more
wiley   +2 more sources

Cymenes. 1. Modern state of processes for producing cymenes

Тонкие химические технологии, 2012
The article analyzes methods for the preparation of cymenes based on using petrochemical raw materials: toluene and propylene/isopropanol. It is concluded that at present advanced technologies for the production of individual cymenes are absent, and the ...
T. N. Nesterova, G. N. Koshel, Yu. B. Rumyantseva, E. A. Kurganova, S. V. Vostrikov, V. A. Shakun   +5 more
doaj  

Study on the regioselectivity of the N-ethylation reaction of N-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Beilstein Journal of Organic Chemistry, 2019
4-Oxoquinolines are a class of organic substances of great importance in medicinal chemistry, due to their biological and synthetic versatility. N-1-Alkylated-4-oxoquinoline derivatives have been associated with different pharmacological activities such ...
Pedro N. Batalha, Luana da S. M. Forezi, Maria Clara R. Freitas, Nathalia M. de C. Tolentino, Ednilsom Orestes, José Walkimar de M. Carneiro, Fernanda da C. S. Boechat, Maria Cecília B. V. de Souza   +7 more
doaj   +1 more source

METTL7A Downregulation Drives SLC1A5‐Mediated Glutamine Competition to Promote Tumor Proliferation and Suppress CD8+ T Cell Immunity in Gastric Cancer

Advanced Science, EarlyView.
GC cells enhance glutamine accumulation by upregulating SLC1A5 expression. This upregulation not only boosts GC cell proliferation, but also outcompetes CD8+ T cells for glutamine and suppresses their antitumor immunity. Mechanistically, METTL7A deficiency in GC induces SLC1A5 overexpression via an m6A‐dependent pathway and N‐glycosylation ...
Mingjun Sun, Shuwei Dang, Dazhi Zhou, Lixian Ding, Xun Sun, Wei Suo, Jirui Niu, Qingzhu Yang, Zhicheng Zhang, Yanyan Sun, Jinxing Li, Zhongsheng Chen, Tao Ban, Yingji Wang, Tianzhu Li, Ming Liu, Guodong Li   +16 more
wiley   +1 more source

Remote Desaturation of Unprotected Amines and C─H Amination of Alkanes by Polarity‐Matched N‐Radical Cations

Angewandte Chemie, EarlyView.
Highly electrophilic N‐radical cations enable efficient and selective H‐atom transfer (HAT) of unprotected amines. In this exceedingly practical strategy, simple CuCl catalyzes an interrupted Hofmann–Löffler–Freytag (HLF) reaction to afford δ desaturated amines, aza‐heterocycles, and C─H aminated alkanes without protecting groups.
Pavitra Laohapaisan, Ross M. Dare, Meredith L. Rudich, Jacob J. A. Garwood, Siyuan Gong, R. Thomas Simons, David A. Nagib   +6 more
wiley   +2 more sources

A challenging redox neutral Cp*Co(III)-catalysed alkylation of acetanilides with 3-buten-2-one: synthesis and key insights into the mechanism through DFT calculations

Beilstein Journal of Organic Chemistry, 2018
Traditional, established palladium cross-coupling procedures are widely applied in complex molecule synthesis; however, there is a significant disadvantage in the requirement for pre-functionalised substrates (commonly halides/triflates).
Andrew Kenny, Alba Pisarello, Arron Bird, Paula G. Chirila, Alex Hamilton, Christopher J. Whiteoak   +5 more
doaj   +1 more source

Molecular Interfacial Regulators Enable Stable Sulfide Electrolytes for High‐Performance All‐Solid‐State Batteries

Advanced Energy Materials, EarlyView.
Molecular surface regulation enabled by fluoropyridines stabilizes sulfide electrolyte interfaces across both reductive and oxidative regimes. By suppressing interfacial decomposition, the modified LPSClBr enables high‐voltage operation, stable stripping/plating of Li metal, and long‐life full cells with uncoated cathodes.
Laras Fadillah, Hanna Türk, Weicheng Hua, Leonie Braks, Mingliang Liu, Jihoon Oh, Michele Ceriotti, Mario El Kazzi, Jang Wook Choi, Ali Coskun   +9 more
wiley   +1 more source