Article
Chemistry, Multidisciplinary
Jifu Duan, Anja Hemschemeier, David J. Burr, Sven T. Stripp, Eckhard Hofmann, Thomas Happe
Summary: In this study, the crystal structures of CN--treated [FeFe]-hydrogenase CpI from Clostridium pasteurianum were obtained, revealing that extrinsic CN- binds to the open coordination site of the cofactor. The binding of CN- leads to conformational changes in conserved residues within the proton transfer pathway, potentially facilitating efficient proton transfer. This observation provides important insights into the mechanism of CN- inhibition and proton transfer in hydrogenases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Shohei Tashiro, Kosuke Nakata, Ryunosuke Hayashi, Mitsuhiko Shionoya
Summary: This paper demonstrates the molecular recognition of amino acid and peptide derivatives by multipoint hydrogen bonding in a porous metal-macrocycle framework revealed by single-crystal X-ray diffraction analysis. l-Serine residues are site-selectively and residue-specifically adsorbed on the pore surface via multiple hydrogen bonds. A serine derivative is diastereoselectively recognized on the (P)- or (M)-side of the enantiomeric pore surface, and the conformation of the peptide is highly regulated, incorporating a poly-L-proline type I helix-like structure into the pore.
Article
Chemistry, Physical
Nourdine Boukabcha, Abdelmadjid Benmohammed, Mohammed Hadj Mortada Belhachemi, Meriem Goudjil, Salem Yahiaoui, Youcef Megrouss, Ahmed Djafri, Nawel Khelloul, Zohra Douaa Benyehlou, Ayada Djafri, Abdelkader Chouaih
Summary: This study evaluates and understands the structural and vibrational properties of FBID using a combination of theoretical and experimental methods. The results indicate that FBID exhibits good charge transfer interaction and nonlinear optical (NLO) properties, with the most reactive sites being around the oxygen atoms. The intermolecular interactions were analyzed using Hirshfeld surface analysis and the reduced density gradient (RDG) method.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Samuel R. Baird, Emanuel Hupf, Ian C. Watson, Michael J. Ferguson, Eric Rivard
Summary: A tetramer shaped indium(I) organometallic compound supported by anionic N-heterocyclic olefin ligands is reported. The monomeric unit of this compound shows both Lewis acidic and basic properties at indium, and the steric profile of the N-heterocyclic olefin ligand enables the isolation of a rare monomeric imide.
CHEMICAL COMMUNICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Lisa Ehrlich, Robert Gericke, Erica Brendler, Jorg Wagler
Summary: In this study, a series of Ru-based complexes were synthesized and characterized, and their coordination behaviors were investigated through computational analyses, revealing that the nature of the ligands significantly affects the structure and properties of the complexes.
Article
Physics, Multidisciplinary
Liang Ma, Kui Wang, Yu Xie, Xin Yang, Yingying Wang, Mi Zhou, Hanyu Liu, Xiaohui Yu, Yongsheng Zhao, Hongbo Wang, Guangtao Liu, Yanming Ma
Summary: The discovery of superconductive rare earth and actinide superhydrides has opened up a new era of high-pressure superconductivity research. The successful synthesis of CaH6 and its remarkable superconducting properties highlight the potential for further exploration and development of high-temperature superconducting materials.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Andrey Y. Baranov, Elena A. Pritchina, Alexey S. Berezin, Denis G. Samsonenko, Vladimir P. Fedin, Nataliya A. Belogorlova, Nina P. Gritsan, Alexander V. Artem'ev
Summary: The discovery of a novel triply bridging phosphine ligand in coordination with copper atoms has resulted in complexes with outstanding blue phosphorescence and potential practical applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Lasse Hunger, Loai Al-Sheakh, Dzmitry H. Zaitsau, Sergey P. Verevkin, Andreas Appelhagen, Alexander Villinger, Ralf Ludwig
Summary: This research reveals that a carboxyl-functionalized ionic liquid exhibits three types of hydrogen bonding, including single hydrogen bonds between cation and anion, as well as single and double hydrogen bonds between cations of like charge. Through various experimental and computational methods, the hydrogen bonding in the solid, liquid, and gaseous states of the ionic liquid is analyzed and characterized.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Zhizai Li, Guoqiang Peng, Huanyu Chen, Chang Shi, ZhenHua Li, Zhiwen Jin
Summary: Metal-free perovskites have attracted attention for their chemical diversity and eco-friendly properties, and have recently been used for X-ray detection with superior carrier behavior. By introducing multiple hydrogen bonds, we successfully synthesized a metal-free perovskite with enhanced lattice stability and inhibited ionic migration. This material exhibits low trap density, high mu tau products, and structural flexibility, enabling a flexible X-ray detector with high sensitivity, low detection limit, and superior spatial resolution.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Joseph M. Parr, Clarissa Olivar, Thomas Saal, Ralf Haiges, Michael S. Inkpen
Summary: This study presents a method for synthesizing osmium(IV) tetraaryl complexes using new precursors with lower risk. The relationship between yield and ligand steric bulk is explored by synthesizing different complexes. The results indicate that larger aryl substituents lead to higher yields. Additionally, the study demonstrates the ability to fine-tune the oxidation-reduction properties of the complexes by varying the aryl substituents.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Mariya Grudova, Victor N. Khrustalev, Alexey S. Kubasov, Pavel Strashnov, Zhanna Matsulevich, Julia M. Lukiyanova, Galina N. Borisova, Andreii S. Kritchenkov, Maria M. Grishina, Alexey A. Artemjev, Ivan Buslov, Vladimir K. Osmanov, Valentine G. Nenajdenko, Nguyen Q. Trung, Alexander Borisov, Alexander G. Tskhovrebov
Summary: The supramolecular chemistry of chalcogenadiazoles is widely used in materials chemistry and is gaining increasing attention. This study presents a facile method for the synthesis of a range of 1,2,4-selenadiazoles using the coupling reaction of 2-pyridylselenenyl halides with unactivated nitriles. These compounds act as novel supramolecular building blocks, engaging in various chalcogen bonding interactions. The research also discovers adducts derived from alpha-halogenated nitriles, which form stable dimers featuring specific 2Se-2N square, Hal· · ·Hal, and Se· · ·Hal noncovalent interactions.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Julia Krueger, Christoph Woelper, Stephan Schulz
Summary: The reactivity study showed the nucleophilic character of the pnictogen and the electrophilic nature of the Ga atom in LGaEGa(Cl)L. Depending on the reaction conditions, different compounds can be synthesized.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Lena Staiger, Tim Kratky, Sebastian Guenther, Ondrej Tomanek, Radek Zboril, Richard W. Fischer, Roland A. Fischer, Mirza Cokoja
Summary: Phosphanes have been found to increase both the reaction rate and selectivity towards olefins, with the ligand's steric and electronic effects playing a crucial role in catalyst performance.
Article
Chemistry, Physical
M. M. Abdelkader, Mohamed Abdelmohsen, A. Aboud
Summary: A new hybrid material was synthesized and characterized electrically and thermally. It showed paramagnetic behavior with antiferromagnetic interaction at very low temperatures. The structural phase transition was suggested based on hydrogen bonding systems.
CHEMICAL PHYSICS LETTERS
(2021)