Article
Multidisciplinary Sciences
Jin Du, Michael Estrella, Kristina Solorio-Kirpichyan, Philip D. Jeffrey, Alexei Korennykh
Summary: This study presents the structure of the human mitochondrial kinase NADK2 and reveals its divergence from other NADKs in terms of structure and biochemical characteristics. NADK2 contains a unique tetramer disruptor/dimerization element that alters the activation mechanism of the enzyme. This structural adaptation enables a unique regulation of NADP(H) synthesis in animal mitochondria.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Multidisciplinary
Anni Taponen, Awatef Ayadi, Manu K. Lahtinen, Itziar Oyarzabal, Sebastien Bonhommeau, Mathieu Rouzieres, Corine Mathoniere, Heikki M. Tuononen, Rodolphe Clerac, Aaron Mailman
Summary: The co-crystallization of TCNQ-· and 3-MepyDTDA+· resulted in solvates with pi dimers at high temperatures and a transition to a diamagnetic phase at lower temperatures, showcasing cooperative interactions leading to magnetic bistability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Xiaoyun Lan, Xing Huang, Meiyan Cui, Zhiying Zhao, Zhangzhen He
Summary: A new selenite compound CaCu(SeO3)(2) with a spin-dimer structure was synthesized by a hydrothermal method. It exhibits a nonmagnetic singlet ground state and a large spin gap of ~329 K. The spin-gap behavior is attributed to the change in bonding geometry of spin dimers caused by the substitution of Ca2+ ions for Hg2+ ions. The compound also has an optical band gap of 2.71 eV.
JOURNAL OF SOLID STATE CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Yundi Quan, P. J. Hirschfeld, Richard G. Hennig
Summary: The electronic structure, phonon properties, and electron-phonon coupling of gallium in different phases affect its superconductivity. The Ga chain structure in the beta phase promotes strong electron-phonon coupling, enhancing superconductivity.
Article
Chemistry, Inorganic & Nuclear
Jian-Ding Li, Jun-Yang Feng, Qing-Xu Wang, Gang Li
Summary: Investigating the proton conductivity of crystalline materials based on supramolecular complexes shows promise for application. In this study, a novel three-dimensional supramolecular complex was prepared using hydrothermal reaction and its crystal structure was characterized. The complex exhibited good water and thermal stability, and its proton conductivity was found to be temperature and humidity dependent. The conductive mechanism was attributed to the abundant presence of hydrogen bonding networks within the solid-state structure.
JOURNAL OF SOLID STATE CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Miha Pavsic
Summary: Trop2 is a cell-surface transmembrane glycoprotein that plays a role in maintaining epithelial tissue integrity and is an important marker for carcinoma. The crystal structure comparison with EpCAM reveals structural differences between the two proteins, highlighting their divergent evolutionary paths and potential for structure-based therapy.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Luigi Russo, Giulia Salzano, Andrea Corvino, Edoardo Bistaffa, Fabio Moda, Luigi Celauro, Gianluca D'Abrosca, Carla Isernia, Danilo Milardi, Gabriele Giachin, Gaetano Malgieri, Giuseppe Legname, Roberto Fattorusso
Summary: This study investigates the mechanism of thermal unfolding of human prion protein and reveals that the transient electrostatic interactions between the N- and C-terminal domains play a key role in regulating the folding process. The study also provides a clear molecular description of the initial phases of prion misfolding using fluorescence fibrillization assays.
Article
Fisheries
Yaqian Li, Lei Ma, Zaixiao Rao, Peng Zhou, Huijun Zheng, Rui Luo
Summary: The duck IKK beta gene was cloned and characterized for the first time, showing wide distribution in tissues and promoting NF-kappa B activation and antiviral activity against Duck Tembusu virus. These findings provide insights into the role of duIKK beta in avian innate immunity.
DEVELOPMENTAL AND COMPARATIVE IMMUNOLOGY
(2021)
Article
Chemistry, Physical
Ismail Warad
Summary: A new water-soluble dimer complex was successfully synthesized and thoroughly characterized in terms of structure and properties. The formation of Cu bridges, confirmation of complex formula, and isolation as a specific structural isomer were confirmed. The dimer exhibited stable structure and unique molecular dynamic properties, which were supported by various analysis methods.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Multidisciplinary
Matthew P. Heaney, Daniel K. Unruh, Tomce Runcevski
Summary: Beta-naphthol reds are widely used pigments with significant historical, commercial, and cultural importance. This research focuses on the structural characterization of two prominent beta-naphthol reds, pigment red 40 (PR40) and pigment red 4 (PR4). The study confirms that both pigments exist as keto/hydrazones in the solid state, and suggests that they should not be mistakenly labeled as azo pigments. The research also investigates the lightfastness of the pigments, finding that while they remain stable in the solid state, degradation occurs when exposed to UV radiation in solution.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Medicinal
Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Md Fulbabu Sk, Parimal Kar
Summary: The papain-like protease (PLpro) of the coronavirus family plays a crucial role in viral polyprotein processing and immune evasion, with deubiquitination and deISGylation activities. Molecular dynamics simulations revealed the structural and energetic basis of PLpro recognition by human ISG15, showing a stronger binding affinity between SCoV2-PLpro and hISG15. The study elucidated differential deISGylating activities of PLpro among CoVs and highlighted the specificity of SCoV2-PLpro towards hISG15.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Inorganic & Nuclear
Anna M. Czombik, Jadwiga Gajewy, Agnieszka Czapik, Marcin Kwit
Summary: Magnesium, as one of the most abundant metal elements in the Earth's crust, has played a significant role in organic chemistry since the beginning of the 20th century. The discovery of organomagnesium compounds by Philippe A. Barbier and Victor Grignard marked a milestone in the development of organic chemistry, particularly in the realm of enantioselective reactions. While the use of magnesium as a catalyst in asymmetric reactions is relatively limited compared to transition metal-catalyzed or organocatalyzed transformations, there is a growing trend towards utilizing Earth-abundant metals for more environmentally friendly catalysis.
Article
Chemistry, Physical
Debanjana Chakraborty, Chao Yang, Lijuan Wang, Dongping Zhong
Summary: The repair of a CPD structural isomer with a sugar replacement was investigated, and a decrease in binding efficiency and repair quantum yield was observed. Using femtosecond spectroscopy and molecular dynamics simulations, it was found that the sugar replacement disrupted the lesion binding configuration and weakened the electronic coupling between the cofactor and lesion. These findings highlight how CPD photolyases have optimized their interactions to maximize repair yields.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Organic
Xiaodong Jiang, Zhuangjie Fang, Qingbo Zhang, Wei Liu, Liping Zhang, Wenjun Zhang, Chunfang Yang, Haibo Zhang, Yiguang Zhu, Changsheng Zhang
Summary: Benzofluorene-containing atypical angucyclines are an important family of natural products with a wide range of antibacterial and cytotoxic properties. Interestingly, symmetric and asymmetric dimers have shown better activity than monomers in this class of compounds. The structural elucidation of nenestatin C (3) highlights the essential role of Nes18 in the biosynthetic pathway of nenestatin B (2), specifically in dimerization via C-C bond formation.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Shuwen Liu, Yuanyuan Chen, Tianming Du, Wencong Zhao, Xuejing Liu, Heng Zhang, Qing Yuan, Liang Gao, Yuhui Dong, Xueyun Gao, Yong Gong, Peng Cao
Summary: In cyanobacteria and algae, flavodoxin (Fld) acts as an electron carrier during photosynthesis under stress conditions. This study presents the crystal structures of apo-Fld from Synechococcus sp. PCC 7942, revealing a potential dimer-monomer transition mechanism. The dimer serves as a standby state to stabilize itself, while the monomer is ready to bind FMN. Additionally, a docking model of the cyanobacterial Fld-FNR complex is proposed, highlighting the interactions between Fld and FNR.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2023)