Results 121 to 130 of about 6,874,902 (263)

Non‐Buckling Stacks of Nanocarbon Molecules

Angewandte Chemie, EarlyView.
A nanometer‐sized nanocarbon molecule with a central octagon was synthesized by optimizing a tetrameric macrocyclization via concentration‐dependent yield analysis (CYAN). The slightly contorted molecular structure was found to be frozen in a dimeric stack in solution, whereas dissociation into monomers liberated the molecule to undergo buckling ...
Koki Ikemoto, Reijiro Yamamoto, Renki Sakai, Yuzuka Shoji, Shunji Takemura, Elisa Nobre, Toshiya M. Fukunaga, Xinyi Xiao, Hiroyuki Isobe   +8 more
wiley   +2 more sources

Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity

Frontiers in Molecular Biosciences
We report the biochemical, structural, and functional characterization of the protein coded by gene PA4880 in the P. aeruginosa PAO1 genome. The PA4880 gene had been annotated as coding a probable bacterioferritin.
Nimesha Rajapaksha, Huili Yao, Aisha Cook, Steve Seibold, Lijun Liu, Kevin P. Battaile, Leo Fontenot, Fabrizio Donnarumma, Scott Lovell, Mario Rivera   +9 more
doaj   +1 more source

Current high pressure powder X-ray crystallography [PDF]

, 2002
With the availability of powerful synchrotron X-Ray sources and sensitive and fast detectors, X-ray crystallography is now being widely used to solve the problems related to structural variations of materials under high pressures.
Sikka, S. K., Sharma, Surinder M.
core  

Crystal Structure Prediction of Inorganic Materials: A Benchmark and Modern Evaluation

Advanced Intelligent Discovery, EarlyView.
Predicting a crystal’s structure from composition alone is a long‐standing challenge in materials discovery. The CSP180 benchmark of 180 inorganic crystals evaluates thirteen crystal structure prediction algorithms requiring no density functional theory (DFT) against DFT‐based baselines across twelve metrics.
Lai Wei, Sadman Sadeed Omee, Rongzhi Dong, Nihang Fu, Yuqi Song, Edirisuriya M. Dilanga Siriwardane, Meiling Xu, Ming Hu, Chris Wolverton, Jianjun Hu   +9 more
wiley   +1 more source

Aromatic Pummerer‐Promoted Stereospecific Cross‐Coupling of Thiazoles With Boronic Esters

Angewandte Chemie, EarlyView.
A lithiation–borylation–aromatic Pummerer (LiBAP) strategy enables stereospecific, C5‐selective C(sp2)–C(sp3) cross‐coupling of thiazoles with boronic esters. By using exocyclic sulfoxide activation to overcome the low nucleophilicity that frustrates SEAr‐type coupling, the method delivers enantioenriched alkylated thiazoles bearing a versatile C2 ...
Mark John P. Mandigma, Julien Lefranc, Louise Eagling, Jasper L. Tyler, Varinder K. Aggarwal   +4 more
wiley   +2 more sources

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Unveiling the Complete Biosynthetic Pathway of Azacitidine: A Rare 1,3,5‐Triazine Nucleoside Derived From GTP

Angewandte Chemie, EarlyView.
The azacitidine biosynthetic gene cluster (aza BGC) was identified by the resistance‐gene‐guided comparative genomics method in Streptomyces mobaraensis IPIO2. The complete biosynthetic pathway of azacitidine, which follows a “base‐first‐then‐glycosylation” logic, was elucidated through in vivo and in vitro experiments.
Dan Wang, Qingxu Meng, Lingqi Hua, Mengjun Sun, Qianjin Kang, Min‐Juan Xu, Linquan Bai   +6 more
wiley   +2 more sources

Dimensional Reduction of Transition Metal Dichalcogenides by Oxide Insertion: Quasi‐1D Oxychalcogenide Semiconductors

Angewandte Chemie, EarlyView.
Molecular Scissors: Oxide insertion slices the layers of MQ2 transition metal dichalcogenides (TMDs) into one‐dimensional [M3Q6] nanoribbons, giving a new family of A2Hf3Q6O (A = K, Rb, Cs; Q = S, Se) oxychalcogenides. The heteroanion‐driven dimensional reduction yields direct‐gap semiconductors with optical absorption that is tunable across the ...
Ayat Tassanov, Azamat Yessengazin, Huiju Lee, Pedro R. Trinidad‐Pérez, Daniel G. Chica, Yi Xia, James M. Hodges   +6 more
wiley   +2 more sources

Beyond Nature's Blueprint: Macrocyclic Peptides Containing Unnatural Amino Acids in Therapeutic Development

Angewandte Chemie, EarlyView.
Strategic incorporation of unnatural amino acids transforms macrocyclic peptides into drug‐like molecules capable of engaging challenging targets. These building blocks enhance stability, permeability, and bioavailability, accelerating the development of next‐generation peptide therapeutics.
Krishna K. Sharma, Komal Sharma, Anku Sharma, Kamya Rao, Rahul Jain, Brett VanVeller   +5 more
wiley   +2 more sources

Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature

IUCrJ
Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature structure of a ...
Julian C.-H. Chen, Miroslaw Gilski, Changsoo Chang, Dominika Borek, Gerd Rosenbaum, Alex Lavens, Zbyszek Otwinowski, Maciej Kubicki, Zbigniew Dauter, Mariusz Jaskolski, Andrzej Joachimiak   +10 more
doaj   +1 more source