Article
Chemistry, Medicinal
Antonino N. Fallica, Valeria Sorrenti, Agata G. D'Amico, Loredana Salerno, Giuseppe Romeo, Sebastiano Intagliata, Valeria Consoli, Giuseppe Floresta, Antonio Rescifina, Velia D'Agata, Luca Vanella, Valeria Pittala
Summary: Novel HO-1 inhibitors were designed and synthesized, showing potent anticancer activity against various cancer cells, with compound 7l demonstrating the best performance by reducing cell invasiveness through modulation of HO-1 expression.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Chemistry, Physical
Pablo Pinacho, Swantje V. M. Caliebe, Maria Mar Quesada-Moreno, Sabrina Zinn, Melanie Schnell
Summary: This study reports the reinvestigation of the high-resolution rotational spectrum of estradiol. A large number of unassigned spectral lines were found in the spectrum, and the detection of certain patterns led to the identification of two new sets of experimental rotational constants. The study highlights the potential of high-resolution rotational spectroscopy in discerning structurally related molecules and determining their gas-phase structures without prior information.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Vishwesh Mishra, Nitish Kumar Sinha, Natesan Thirupathi
Summary: By reacting with Hg(OC(O)CF3)(2), separate reactions of cycloplatinated 2-tolyl- and 2-anisylguanidine complexes yielded a one-dimensional coordination polymer and a discrete tetrametallic complex with different structures and properties. The formation mechanisms and structural characteristics of these products were explained in detail, with important characterization information provided by multinuclear NMR spectroscopy and single-crystal X-ray diffraction studies.
INORGANIC CHEMISTRY
(2021)
Article
Crystallography
Sehyeok Im, Hackwon Do, Jisub Hwang, Youn-Soo Shim, Jun Hyuck Lee
Summary: The crystal structure of the FolD enzyme from Porphyromonas gingivalis was determined, revealing its role in the chemical modification of tetrahydrofolate. Comparison with previously known FolD enzymes showed differences in substrate-binding site residue composition.
Article
Infectious Diseases
Julia A. Hotinger, Allison Hannah Gallagher, Aaron E. May
Summary: New antibiotic targets are urgently needed to combat antimicrobial-resistant bacteria. Phage-related ribosomal proteases (Prps) have been identified as a structurally characterized antibiotic target that can inhibit the function of ribosomes. This study provides a comprehensive analysis of the discovery and structural characteristics of known Prps, which can guide the design of therapeutics targeting Prps.
Article
Polymer Science
Xiang Shi, Pierre-Antoine Albouy, Pascale Launois
Summary: This study presents a different view that the evolution of X-ray patterns reflects changes in crystalline texture rather than polymorphism. This enables a quantitative description of X-ray fiber patterns but also highlights some fundamental structural issues.
Article
Biochemistry & Molecular Biology
Jian-Ting Han, Yongchang Zhu, Da-Bo Pan, Hong-Xiang Xue, Shuang Wang, Yali Peng, Huanxiang Liu, Yong-Xing He, Xiaojun Yao
Summary: FKBP51 is a cochaperone of Hsp90 and is involved in various human diseases, making it an attractive drug target. Peptide-inhibitors designed through structure-based drug design exhibit similar binding modes with FK506 on FKBP51.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2021)
Article
Chemistry, Inorganic & Nuclear
Ziyan Lv, Rukang Li
Summary: In this study, a tantalum phosphate crystal Na11Ta8P7O43 with a moderate second harmonic response was synthesized using self-fluxes method. The crystal was found to have unique structural features and moderate nonlinear effects. It exhibits phase-matchable second harmonic generation, a shorter cutoff edge than known materials LiTaO3 and KTiOPO4, and high transmittance in the visible to near infrared band, suggesting its potential as a nonlinear optical crystal.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ziyan Lv, Rukang Li
Summary: In this study, a tantalum phosphate crystal with a moderate second harmonic response and unique structural features was successfully synthesized. It has the potential to serve as a nonlinear optical crystal.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Laurenzo D. V. Alba, Tsubasa Hatanaka, Francisco C. Franco, Masaki Nojiri, Marissa G. Noel, Yasuhiro Funahashi
Summary: The crystal structure of a new silver complex of O-acetylsinigrin demonstrates chelating bonds of sulfated thiohydroximate and an η(2)-bond of the ethylene moiety with Ag(I). Mechanistic studies through H-1 NMR measurements and theoretical calculations suggest relevance to glucosinolate degradation in biological systems.
DALTON TRANSACTIONS
(2021)
Article
Medicine, Research & Experimental
Hironori Suzuki, Masahito Matsushima, Masataka Ito, Shuji Noguchi
Summary: Sulfur K-edge X-ray absorption near-edge spectroscopy (XANES) can be used to distinguish crystal polymorphs of active pharmaceutical ingredients (APIs) containing sulfur atoms. The shape of XANES spectra is influenced by the C-S-C bond angle of molecules and intermolecular hydrogen bonds and S-S interaction, while the peak energy values can vary with hydrogen bonds and S-S interaction. Linear combination fitting of XANES spectra can quantify the ratio of crystal forms in mixed powders, demonstrating the utility of XANES measurements for evaluating crystal polymorphism in pharmaceutical formulations containing sulfur atoms.
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Multidisciplinary
Shuhui Dong, Bin Lin, Xiaobian Xue, Ming Bai, Xiaoxiao Huang, Shaojiang Song
Summary: Nine new sesquiterpenoid derivatives were isolated from Tripterygium wilfordii leaves, with their structures and configurations determined by spectroscopic data and X-ray diffraction. These compounds exhibited neuroprotective activities against H2O2-induced cell injury in human neuroblastoma cells, with compounds 5 and 6 showing significant improvement in cell viability.
CHINESE JOURNAL OF CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Marina Abe, Ryo Suzuki, Keiichi Hirano, Haruhiko Koizumi, Kenichi Kojimaa, Masaru Tachibana
Summary: The growth of high-quality protein crystals is essential for protein structure analysis. Twisting is identified as one of the main residual defects in high-quality crystals, determining their perfection. The handedness of twisting may be attributed to the interaction of chiral protein molecules with asymmetric units in crystal forms. This study provides insights into the growth mechanism and control of high-quality crystals.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Multidisciplinary Sciences
Daisuke Sawada, Yoshiharu Nishiyama, Riddhi Shah, V. Trevor Forsyth, Estelle Mossou, Hugh Michael O'Neill, Masahisa Wada, Paul Langan
Summary: The study reveals that during mercerization of bacterial cellulose, chains fold back on themselves in a zigzag pattern to form crystalline anti-parallel domains. This finding provides important insights into the molecular-level mechanism of this industrial process.
NATURE COMMUNICATIONS
(2022)
Article
Multidisciplinary Sciences
Dominique Laniel, Florian Trybel, Bjoern Winkler, Florian Knoop, Timofey Fedotenko, Saiana Khandarkhaeva, Alena Aslandukova, Thomas Meier, Stella Chariton, Konstantin Glazyrin, Victor Milman, Vitali Prakapenka, Igor A. Abrikosov, Leonid Dubrovinsky, Natalia Dubrovinskaia
Summary: This study presents the chemical and structural diversity of lanthanum hydrides synthesized under high pressure, providing clues for the search of other hydrides and high-temperature superconductors. However, assessing potentially superconducting phases and the nature of electronic transitions remains a challenge.
NATURE COMMUNICATIONS
(2022)