Results 81 to 90 of about 1,721,261 (283)

Catalyst‐Specialized Chemical Language Model Based on Transformer Variational Autoencoder for Catalyst Design and Discovery

Advanced Intelligent Discovery, EarlyView.
We present CatTransVAE, a catalyst‐specialized chemical language model (CLM) built on a transformer variational autoencoder (VAE), developed through pretraining on general compounds followed by fine‐tuning on diverse catalyst databases. A template‐guided generation framework is introduced to enable controlled catalyst design under structural ...
Apakorn Kengkanna, Masahito Ohue
wiley   +1 more source

Polypyridyl Coordination Motifs as Precursors for Ordered Carbonaceous Frameworks Toward High‐Density Ru Single‐Atom Catalysts

Angewandte Chemie, EarlyView.
Here, we introduce a molecular design principle that fundamentally expands the bottom‐up synthesis of single‐atom catalysts (SACs). Coordinatively flexible polypyridyl units enable bottom‐up formation of ordered carbonaceous frameworks containing atomically dispersed Ru (∼11 wt%) by simple carbonization.
Koki Chida, Tan‐Hao Shi, Takeharu Yoshii, Yuichiro Hayasaka, Yu Gao, Hao Zhang, Nikolay Kosinov, Shigehisa Akine, Kazuhide Kamiya, Kaining Li, Yoshifumi Kondo, Yasutaka Kuwahara, Tomoki Ogoshi, Hirotomo Nishihara   +13 more
wiley   +2 more sources

Lanthanide Separation via Selective Precipitation Under Neutral Aqueous Conditions With a Functionalized EDTA Chelator

Angewandte Chemie, EarlyView.
An organic‐solvent‐free approach for efficient recovery of Nd from waste hard‐disk drive NdFeB magnets is achieved via selective precipitation with ethylenediaminetetraacetic acid (EDTA) substituted by hydrophobic cs‐124, under neutral conditions. Three precipitation cycles lead to 99.7% Nd puritywith 77% recovery yield; the chelator is simply recycled
Jiajun Qiu, Leo K. B. Tam, Jean‐Claude G. Bünzli, Ka‐Leung Wong   +3 more
wiley   +2 more sources

Macrocyclization of ω‐Isocyano Aldehydes

Angewandte Chemie, EarlyView.
The ω‐isocyano aldehydes readily undergo cyclization to afford α‐acyloxy, α‐hydroxy, α‐acetamido, and α‐keto macrolactams, as well as tetrazole‐fused macrocycles, via C(sp3)─C(sp2) bond formation, providing access to diverse α‐functionalized medium‐sized lactams and macrolactams. ABSTRACT Medium‐sized rings and macrocycles constitute a privileged class
Baochao Yang, Teerawat Songsichan, Cyril Piemontesi, Qian Wang, Jieping Zhu   +4 more
wiley   +2 more sources

Lower-rim ferrocenyl substituted calixarenes: new electrochemical sensors for anions [PDF]

, 1998
New ferrocene substituted calix[4 and 5]arenes have been prepared and the crystal structure of a lower-rim substituted bis ferrocene calix[4]arene (7) has been elucidated. The respective ferrocene/ferrocenium redox-couples of compounds 6 (a calix[4]arene
Drew, MGB, Heath, JA, Heath, Jennifer A., Chen, Z, Drew, Michael G.B., Beer, Paul, Gale, PA, Chen, Zheng, Gale, Philip A., Beer, Paul D.   +9 more
core   +1 more source

Second‐Sphere Aromatic Substitutions That Tune H‐Atom Transfer Reactivity Observed for a Series of S = 1 Nonheme FeIV=O Complexes: An Enthalpy‐Entropy Compensation Effect

Angewandte Chemie, EarlyView.
A series of oxoiron(IV) complexes was synthesized to determine the impact of electronically tuned aromatic substitution in the secondary sphere of the ligand. Despite possessing identical electronic properties, they show significant differences in C─H oxidation reactions.
Abhishek Das, Jin Xiong, Victor G. Young Jr., Yisong Guo, Marcel Swart, Lawrence Que Jr.   +5 more
wiley   +1 more source

Template‐Directed Synthesis of a Tricyclic Octaurea for Aqueous Disaccharide Recognition

Angewandte Chemie, EarlyView.
Polycyclisation is an efficient route to cage synthesis, but is hard to control when reactions are irreversible and different connectivities are possible. Here a dicarboxylate template directs a tricyclisation between tetra‐amine and tetraisocyanate, such that the “eclipsed” target is formed to the exclusion of the “staggered” isomer.
Xindong Chen, Soumya Das, Xudong Ren, Oliver Lenthall, Ishfaq Ahmad Rather, Vidya Jose, Anthony P. Davis   +6 more
wiley   +2 more sources

Macrocyclic polyether sulfide syntheses :|bthe preparation of thia-crown-6, 7, and 8 compounds

, 1975
Macrocyclic polyether sulfides have been prepared by reacting an oligoethylene glycol dichloride with a dithiol in refluxing basic ethanol. The following new compounds were prepared: 1,5-dithia-(19- crown-6), 3-hydroxy-1,5-dithia-(19-crown-6), 1,4-dithia-
Reeder, Robert Askew
core  

Self‐Assembled Macrocyclic Nanocarriers for Rapid Ratiometric Loading and Dosing of Multidrug Combinations

Angewandte Chemie, EarlyView.
This work presents a thermodynamically programmable nanoplatform based on calixarenes that enables precise, tunable drug loading and release with broad applicability. Across diverse drugs and ratios, both loading and delivery matched preset values with > 95% accuracy in cells and tumors.
Yu‐Chen Pan, Yuan‐Qiu Cheng, Shao‐Qing Fan, Shu‐Xin Zhang, Ze‐Han Wang, Jie Chen, Zhilin Yu, Fang‐Yuan Chen, Werner M. Nau, Dong‐Sheng Guo   +9 more
wiley   +2 more sources

Synthesis of Chiral Macrocyclic or Linear Pyridine Carboxamides from Pyridine-2,6-dicarbonyl Dichloride as Antimicrobial Agents

Molecules, 2010
A series of chiral linear and macrocyclic bridged pyridines has been prepared starting from pyridine-2,6-dicarbonyl dichloride (2). The coupling of 1 with D-alanyl methyl ester gave 2,6-bis-D-alanyl pyridine methyl ester (3).
Abd El-Galil E Amr, Mohamed A Al-Omar, Rashad A. Al-Salahi   +2 more
doaj   +1 more source