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, 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)
Article
Chemistry, Physical
Burak Guzelturk, Thomas Winkler, Tim W. J. Van de Goor, Matthew D. Smith, Sean A. Bourelle, Sascha Feldmann, Mariano Trigo, Samuel W. Teitelbaum, Hans-Georg Steinruck, Gilberto A. de la Pena, Roberto Alonso-Mori, Diling Zhu, Takahiro Sato, Hemamala Karunadasa, Michael F. Toney, Felix Deschler, Aaron M. Lindenberg
Summary: Diffuse X-ray scattering with femtosecond resolution reveals the formation and relaxation of polaronic distortions in halide perovskites. These structural changes are quantified and correlated to transient changes in carrier effective mass.
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
Nagendar Pendem, Yella-Reddy Nelli, Leonie Cussol, Claude Didierjean, Brice Kauffmann, Christel Dolain, Gilles Guichard
Summary: Oligomers with a helix-turn-helix super-secondary structure were prepared by covalently bridging aliphatic oligourea foldamer helices with either rigid aromatic or flexible aliphatic spacers. The relative orientation of the helices in these dimers was studied using high-resolution X-ray diffraction analysis. Racemic crystallography was employed in some cases to facilitate crystallization and structure determination. All structures were solved using direct methods. Well-defined parallel helical hairpin motifs were observed in all cases when 4,4'-methylene diphenyl diisocyanate was used as a dimerizing agent, regardless of the primary sequence and chain length.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Xiang Lin, Bohan Kou, Jinlian Cao, Peimin Weng, Xiaosheng Yan, Zhao Li, Yun-Bao Jiang
Summary: The formation of orthogonal homochiral supramolecular helices is proposed as a method to achieve spontaneous resolution, and chiral resolution is successfully achieved through the introduction of acetylalanine as the building block and a halogen atom.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
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, Inorganic & Nuclear
Bruno A. Correia Bicho, Robin Guthardt, Clemens Bruhn, David Grosshennig, Till Orth, Florian Pfeiffer, Ulrich Siemeling
Summary: By multiple reaction steps, various organic iron compounds were synthesized successfully and their transformations were investigated. These synthetic products have potential applications.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(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, 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
Sudha Shankar, Deeti Jyothi, Junaid Ur Rahim, Purna Chandra Pal, Umesh Prasad Singh, Rajkishor Rai
Summary: This study investigates the conformation of achiral alpha/beta hybrid peptides through X-ray crystallography. Peptides P1 and P2 exhibit different folded conformations and hydrogen bond orientation, while no hydrogen bond is observed in peptide P3. The study also reveals differences in torsional preferences of the achiral alpha/beta peptides compared to chiral ones.
Article
Chemistry, Multidisciplinary
Florian Massuyeau, Thibault Broux, Florent Coulet, Aude Demessence, Adel Mesbah, Romain Gautier
Summary: This article introduces a machine learning-based method that utilizes X-ray diffraction patterns to automatically determine whether unknown materials are perovskite-type materials, providing a new efficient approach for determining crystal structures.
ADVANCED MATERIALS
(2022)
