Article
Multidisciplinary Sciences
Korey P. Carter, Katherine M. Shield, Kurt F. Smith, Zachary R. Jones, Jennifer N. Wacker, Leticia Arnedo-Sanchez, Tracy M. Mattox, Liane M. Moreau, Karah E. Knope, Stosh A. Kozimor, Corwin H. Booth, Rebecca J. Abergel
Summary: Transplutonium elements are a group of metals at the edge of the periodic table, with properties that are less predictable due to their scarcity and radioactivity. Studies on the heaviest element einsteinium highlight the need for further exploration of actinide elements, especially those that are scarce and short-lived.
Article
Biochemistry & Molecular Biology
Boris A. Kolesov
Summary: This work outlines general ideas on how the frequency and intensity of proton vibrations in X-H···Y hydrogen bonding evolve from weak to maximally strong bonding. Raman spectra of different chemical compounds with moderate, strong, and extremely strong hydrogen bonds were obtained in the temperature region of 5 K-300 K. The dependence of proton vibrational frequency on the rigidity of O-H···O bonding is discussed, along with considerations of proton dynamics on tautomeric O-H···O bonds. A brief description of N-H···O and C-H···Y hydrogen bonds is also provided.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Inorganic & Nuclear
Miguel A. Baeza Cinco, Guang Wu, Joshua Telser, Trevor W. Hayton
Summary: The paper investigates the redox activity of a metal-bound N-oxyphthalimide ligand and characterizes its structure and spectroscopic properties.
INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Qiaoling Song, Zhenan Wu, Chenghao Jin, Zhichao Yu, Peng Xu, Zhouting Jiang
Summary: The effect of the ratio and consecutive number of hydrophobic residues on the structure of protein chains was investigated by molecular dynamics (MD) simulation. The results showed that proteins with higher ratios or larger numbers of consecutive hydrophobic residues exhibit more oriented and compact structures at low temperatures, leading to the formation of specific ordered structures.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Sylwia Zieba, Agata Piotrowska, Adam Mizera, Pawel Lawniczak, Karolina H. Markiewicz, Andrzej Gzella, Alina T. Dubis, Andrzej Lapinski
Summary: The study analyzed the increase in conductivity with temperature in 1H-pyrazol-2-ium 2,6-dicarboxybenzoate monohydrate and discussed the influence of water mobility. The electric properties of the salt were studied using impedance spectroscopy method, and various analytical techniques were used to analyze hydrogen bond interactions and the role of water molecules in forming structural defects.
Article
Mathematics
Sara Diaz Cardell, Amparo Fuster-Sabater, Veronica Requena
Summary: The paper examines the interleaving of a PN-sequence and its shifted versions, analyzing cryptographic properties such as period and linear complexity in relation to shifts. The total number of interleaving sequences achieving each possible value of linear complexity is also determined.
Article
Chemistry, Inorganic & Nuclear
Liliana Capulin Flores, Lucas A. Paul, Inke Siewett, Remco Havenith, Noe Zuniga-Villarreal, Edwin Otten
Summary: Metal complexes with ligands coordinated through the nitrogen atom of azo (N=N) or imino (C=N) groups exhibit interesting (opto)electronic properties and reactivity due to their pi-acceptor properties and redox-active nature.
INORGANIC CHEMISTRY
(2022)
Article
Astronomy & Astrophysics
Kirill M. Semenov-Tian-Shansky, Marc Vanderhaeghen
Summary: We investigate the deeply virtual Compton scattering process e-N e-yNN, which involves the transition between a nucleon and a nucleon resonance in the NN system, using the framework of generalized parton distributions (GPDs). By expressing the scattering amplitude in terms of nucleon-to-resonance GPDs, we aim to study the longitudinal momentum distributions of quarks in the transition. We provide estimations for cross sections and beam-spin asymmetries in the first and second NN resonance regions based on forthcoming CLAS12 data from Jefferson Lab.
Article
Chemistry, Multidisciplinary
Bronislav Jurasek, Patrik Fagan, Bohumil Dolensky, Natalie Paskanova, Kristyna Dobsikova, Ivan Raich, Radek Jurok, Vladimir Setnicka, Michal Kohout, Jan Cejka, Martin Kuchar
Summary: Methoxphenidine, originally patented for its neurotoxic injury treatment properties, failed to become a drug due to its side effects and reappeared on the black market as a new psychoactive substance. Being a dissociative anesthetic, it gained interest in the field of medicine for its potential in depression treatment. However, there is a lack of pharmacological data and methods for further biological studies on this substance.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Eve Kozari, Mark Sigalov, Dina Pines, Ehud Pines, Benjamin P. Fingerhut
Summary: Research reveals the existence of an asymmetric protonated water trimer, H7+O3, in acetonitrile, which promotes irreversible proton transport and can persist in larger water clusters. Quantum mechanics/molecular mechanics simulations successfully simulate the IR absorption spectra of H7+O3, confirming its hybrid-complex structure and ability to support proton transport within larger water solvates.
Article
Chemistry, Physical
Eve Kozari, Mark Sigalov, Dina Pines, Benjamin P. Fingerhut, Ehud Pines
Summary: Infrared absorption and NMR spectroscopy revealed the presence of an asymmetric protonated water trimer, H7+O3, in acetonitrile. The H7+O3 structure allows for irreversible proton transport and may support proton transport within larger water solvates. Quantum mechanics/molecular mechanics simulations successfully simulated the measured IR absorption spectra of H7+O3, reaffirming its assignment to a hybrid-complex structure.
Article
Chemistry, Inorganic & Nuclear
Irina A. Kuhne, Andrew Ozarowski, Aizuddin Sultan, Kane Esien, Anthony B. Carter, Paul Wix, Aoife Casey, Mooneerah Heerah-Booluck, Tony D. Keene, Helge Muller-Bunz, Solveig Felton, Stephen Hill, Grace G. Morgan
Summary: Structural, magnetic, and spectroscopic characterization of a Mn3+ spin-crossover complex with Schiff base ligand 4-OMe-Sal(2)323, isolated in crystal lattices with five different counteranions, reveals different spin states preferences and potential ligand directed chirality.
INORGANIC CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Shoko Shinya, Ritsuko Katahira, Kyoko Furuita, Toshihiko Sugiki, Young-Ho Lee, Yoshikazu Hattori, Kohei Takeshita, Atsushi Nakagawa, Aoi Kokago, Ken-ichi Akagi, Muneki Oouchi, Fumiaki Hayashi, Takanori Kigawa, Midori Takimoto-Kamimura, Toshimichi Fujiwara, Chojiro Kojima
Summary: Fragment-based drug discovery (FBDD) is a powerful tool for drug discovery, but the analysis of protein-compound interactions is challenging due to the low affinity of hit compounds. In this study, a F-19-NMR screening method and an optimized F-19 chemical library were developed to model the complex structure of weak binders and their target proteins. This method was successfully applied to four proteins, including protein kinases and a membrane protein.
RSC MEDICINAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Daniyal Kiani, Jonas Baltrusaitis
Summary: Supported-phosphate-catalysts (SPCs) exhibit hydrogenation and hydrogen-transfer reactions on the surface during temperature ramp, with the extent and rate depending on the support characteristics, phosphate loading, and hydrogen-donor molecule. Surface Bronsted acid sites do not contribute to the reaction, while P=O surface sites are proposed as the active sites for hydrogen-transfer. It is suggested that any catalytic reaction involving hydrogenation over phosphate-based catalysts should consider the surface-mediated hydrogen-transfer capability of phosphate sites in the overall reaction mechanism.
Article
Multidisciplinary Sciences
Jan-Hannes Schaefer, Carolin Koerner, Bianca M. Esch, Sergej Limar, Kristian Parey, Stefan Walter, Dovile Januliene, Arne Moeller, Florian Froehlich
Summary: This study presents the high-resolution cryo-EM structures of the yeast SPT complex with Tsc3, Orm1, and Sac1. The interaction between ceramide and Orm1 is found to inhibit the activity of yeast SPT. Furthermore, the binding of ceramide and ergosterol suggests a co-regulation of sphingolipid biogenesis and sterol metabolism within the SPOTS complex.
NATURE COMMUNICATIONS
(2023)
