Article
Chemistry, Multidisciplinary
Shi-Wen Li, Ruo-Xi Zhang, Li-Xia Kang, Deng-Yuan Li, Yu-Li Xie, Cheng-Xin Wang, Pei-Nian Liu
Summary: The study explores the construction of metal-organic networks (MONs) by the coordination self-assembly of isocyanides on Cu(111) and Ag(111) surfaces, showing that surface stereochemistry plays a crucial role in steering the structures. Nodes with heterotactic configurations are able to grow into larger subunits and form complex fractal structures.
Article
Chemistry, Multidisciplinary
Venkateswara Rao Mundlapati, Zeynab Imani, Viola C. D'mello, Valerie Brenner, Eric Gloaguen, Jean-Pierre Baltaze, Sylvie Robin, Michel Mons, David J. Aitken
Summary: Nature utilizes hydrogen bonding extensively to assemble and stabilize biomolecular structures, with the shapes of peptides and proteins relying significantly on N-H···O=C interactions. While the C5 hydrogen bond is generally considered too weak to force extended structures, this work demonstrates that an N-H···X hydrogen bond significantly stabilizes the extended C5-based conformation in specific derivatives.
Article
Biochemistry & Molecular Biology
Yanqing Yang, Anna Krin, Xiaoli Cai, Mohammad Reza Poopari, Yuefei Zhang, James R. R. Cheeseman, Yunjie Xu
Summary: The functionalities and configurations of steroid hormone molecules depend on their functional groups and 3D arrangements. The conformational distribution and absolute configurations of four different steroid hormones were determined through extensive conformational searches and theoretical simulations. However, discrepancies were found in the spectra of AcO-DHEA, possibly due to solvent effects, large amplitude motions, and the levels of theory used.
Article
Physics, Nuclear
L. H. Ru, D. H. Xie, T. Y. Jiao, Z. An, F. Bai, J. W. Cai, X. Fang, Y. H. Fan, Y. X. Fan, B. S. Gao, Y. Z. Li, W. P. Lin, L. Ma, H. J. Ong, X. D. Tang, P. Wang, X. Zhang
Summary: The strength of the narrow resonance of the 13C(& alpha;, n)16O reaction at E & alpha; = 1055.63 keV is determined to be 16.9 & PLUSMN; 0.4(stat) & PLUSMN; 1.7(sys) eV, and the sum of the resonance strengths of the two narrow resonances around E & alpha; = 1336 keV is determined to be 57.3 & PLUSMN; 4.8(stat) & PLUSMN; 5.7(sys) eV. These measurements reconcile inconsistencies of past measurements and are in agreement with the recommendations of the ENDF/B-VIII.0 evaluation and the CIELO project.
Article
Chemistry, Multidisciplinary
Jiangyun Zhao, Simon De Kreijger, Ludovic Troian-Gautier, Jin Yu, Wenhui Hu, Xiaoyi Zhang, Benjamin Elias, Dooshaye Moonshiram
Summary: Picosecond optical and X-ray absorption spectroscopies coupled with time-dependent density functional theory have revealed the reaction pathways, electronic and structural conformations of Ir-Co hydrogen evolution photocatalysts. The dyad with 2-phenylpyridine ancillary ligands produces more photo-reduced Co(ii) compared to its 2-phenylisoquinoline analogue. These findings are significant for the design of earth-abundant photosensitizers for photocatalytic applications.
CHEMICAL COMMUNICATIONS
(2022)
Article
Crystallography
Ester Soru, Grace Cairney, John M. D. Storey, William T. A. Harrison
Summary: This article discusses the synthesis and crystal structures of three chiral oxazolidinone derivatives prepared from L-alanine and pivalaldehyde, revealing their homochiral structures and various conformations in the five-membered rings. The extended structures of two compounds are linked by C-H···O hydrogen bonds, with one exhibiting a notably short H···O separation distance.
Article
Chemistry, Multidisciplinary
Tanos C. C. Franca, Arlan da Silva Goncalves, Christopher Berube, Normand Voyer, Norman Aubry, Steven R. LaPlante
Summary: Macrocyclic peptidomimetics have made significant contributions to drug development. The discovery of mortiamides A-D, cyclic peptides with pharmaceutical potential, has led to further study of their solution-state properties. Nuclear magnetic resonance data and molecular dynamics simulations have shown that these peptides have multiple three-dimensional structures in solution. Understanding these properties can aid in drug design and discovery.
Article
Chemistry, Physical
Andrii Kurochka, Jiri Prusa, Jiri Kessler, Josef Kapitan, Petr Bour
Summary: Researchers used VOA technology to study alpha-synuclein, successfully revealing the spectral features of different conformations through computational simulations and experimental analysis. They discovered previously unreported ROA marker bands of secondary structure, and successfully simulated fibril VCD spectra.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Chen Kang, Mingzhe Li, Wenxiu Huang, Shoucai Wang, Mengyu Peng, Longqiang Zhao, Guangbin Jiang, Fanghua Ji
Summary: In this study, a selective functionalization method for sulfoximines via electrochemical reactions was reported. The reactions utilized electricity and α-ketoacid as traceless oxidant and functionalization reagent, respectively, and resulted in high yields of acylated and α-ketoacylated products. The method was also applied to late-stage derivatizations of fenofibrate and can be conducted on a gram scale.
Article
Biology
Yasuo Tsunaka, Hideaki Ohtomo, Yoshifumi Nishimura
Summary: The histone chaperone FACT regulates the conformation of the H2A and H2B tails in the asymmetrically unwrapped nucleosome both proximally and distally.
COMMUNICATIONS BIOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Lu Huang, Cheng Peng, Li Guo, Rui Feng, Hong-Zhen Shu, Yun-Cai Tian, Qin-Mei Zhou, Liang Xiong
Summary: Six pairs of enantiomeric phthalide dimers were isolated from Ligusticum chuanxiong rhizomes, with structures and absolute configurations elucidated through various analyses. These compounds showed inhibitory effects against lipopolysaccharide-induced nitric oxide production, with compound (+)-5 exhibiting the strongest activity.
BIOORGANIC CHEMISTRY
(2022)
Article
Medicine, Legal
Ruby E. Liliedahl, Elise Hutzell, Madison Haley, Daniel P. Predecki, J. Tyler Davidson
Summary: This study demonstrates the successful differentiation and characterization of synthetic cathinone isomers using a combined gas chromatography-electron ionization-mass spectrometry (GC-EI-MS) and nuclear magnetic resonance (NMR) approach.
FORENSIC SCIENCE INTERNATIONAL
(2023)
Article
Biochemistry & Molecular Biology
Fang Mei, Jinchun Nie, Yan Wen, Zhenwei Li, Daidi Zhang, Li-She Gan, Wei Li, De-an Guo
Summary: Six previously unknown N-acetyldopamine trimmer racemates, named percicamides A-F (1-6), were discovered in a 70% ethanol extract of Cicadae Periostracum. These compounds were separated into six pairs of enantiomers, namely (+)- and (-)-percicamides A-F (1a/1b-6a/6b), and their structures, including absolute configurations, were determined using spectroscopic data and quantum chemical calculations. Bioassays confirmed that all isolated compounds exhibited weak inhibitory effects on nitric oxide production in RAW 264.7 cells.
Article
Materials Science, Paper & Wood
Cuong Viet Bui, Thomas Rosenau, Hubert Hettegger
Summary: Novel chiral selectors based on cellulose were synthesized using carbonate aminolysis and isocyanate chemistry. The chiral selectors showed improved regioselectivity and flexibility compared to conventional approaches.
Article
Chemistry, Physical
Xianlin Yang, Changlin Lan, Jiahao Wang, Li Feng, Xiaojun Li, Benchao Lou, Li Jiang, Gong Jiang, Yujie Ge
Summary: The cross sections of Cu-65(n, alpha)Co-62m, Cu-65(n, n'alpha)Co-61 and Cu-65(n, p)Ni-65 reactions were measured relative to Fe-56(n, p)Mn-56 reaction at 14 MeV neutron energy. The neutron energies were determined by the cross-section ratios for the Zr-90(n, 2n)Zr-89 and Nb-93(n, 2n)(92)mNb reactions. The measured cross sections were compared with earlier reported data, evaluated nuclear data and theoretical results.
RADIATION PHYSICS AND CHEMISTRY
(2022)
Article
Anthropology
Ewelina Imiolczyk, Grzegorz Zabinski, Tomasz Goryczka, Krzysztof Aniolek, Agnieszka Balinska, Ewelina Mista-Jakubowska
ARCHAEOLOGICAL AND ANTHROPOLOGICAL SCIENCES
(2020)
Review
Biochemistry & Molecular Biology
Jozef Drabowicz, Aneta Rzewnicka, Remigiusz Zurawinski
Article
Chemistry, Organic
Ana G. Petrovic, Prasad L. Polavarapu, Andrzej Lopusinski, Dorota Krasowska, Wanda Wieczorek, Malgorzata Szyrej, Jaroslaw Blaszczyk, Jozef Drabowicz
JOURNAL OF ORGANIC CHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Paolo Biscarini, Ivano Bilotti, Francesco Ferranti, Alessia Bacchi, Giancarlo Pelizzi, Marian Mikolajczyk, Jozef Drabowicz
Article
Chemistry, Physical
Volodymyr Pavlyuk, Agnieszka Balinska, Beata Rozdzynska-Kielbk, Nazar Pavlyuk, Grygoriy Dmytriv, Andrij Stetskiv, Sylvio Indris, Bjorn Schwarz, Helmut Ehrenberg
JOURNAL OF ALLOYS AND COMPOUNDS
(2020)
Review
Biochemistry & Molecular Biology
Dorota Krasowska, Rafal Karpowicz, Jozef Drabowicz
Summary: This mini-review comprehensively presents synthetic approaches for preparing non-racemic mono- and multi-substituted thiophenes, which can be applied as precursors for chiral polythiophenes isolated as a single chemical entity or having supramolecular thin-layer architectures.
Article
Chemistry, Physical
Volodymyr Pavlyuk, Wojciech Ciesielski, Nazar Pavlyuk, Damian Kulawik, Agnieszka Balinska, Karolina Kluziak
Summary: By adding carbon nanotubes to Y5-xPrxSb3-yMy alloys, the discharge capacity of lithium-ion and sodium-ion batteries can be significantly increased, up to 30% and 25% respectively. When antimony is replaced by lead in the alloy, the discharge capacity slightly decreases.
Article
Chemistry, Inorganic & Nuclear
Jaroslaw Blaszczyk, Patrycja Pokora-Sobczak, Grazyna Mielniczak, Bogdan Bujnicki, Leslaw Sieron, Jozef Drabowicz
Summary: The purpose of this study is to investigate the correlation between the three-dimensional structure of a chemical complex and the enantiomeric yield of a stereospecific reaction. By synthesizing optically active P-stereogenic phosphinic acid derivatives, complexating them with metal cations and organometallic moieties, and replacing achiral catalysts with chiral thioacids obtained in enantiomeric forms, this study aims to develop new catalysts for reactions that require the presence of a chiral ligand. The progress made in the X-ray structure determination of a series of synthesized thiophosphinic acids is presented.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
(2022)
Article
Chemistry, Inorganic & Nuclear
Marcin H. Kudzin, Malgorzata Gieldowska, Agnieszka A. Krata, Edyta Sulak, Pawel Urbaniak, Jozef Drabowicz
Summary: The synthesis and antimicrobial activity of copper chitosan phosphates complexes were studied. The surface phosphorylations of chitosan were achieved by exposure to phosphorus trichloride vapors. The synthesized complexes showed potential applications as antibacterial materials against Gram-negative and Gram-positive bacteria.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
(2022)
Article
Chemistry, Organic
Francesca Mangiavacchi, Giuseppe Mazzeo, Maria Chiara Graziani, Francesca Marini, Jozef Drabowicz, Ewelina Wielgus, Luca Sancineto, Giovanna Longhi, Riccardo Vivani, Sergio Abbate, Claudio Santi
Summary: In this study, the base induced activation of beta-naphthol was utilized for the synthesis of a novel 1,1'-diselanediylbis(naphthalen-2-ol), which was fully characterized using NMR and X-Ray analysis. The reactivity of this compound was investigated, leading to the discovery of a novel synthesis method for chiral selenium containing heterocycles. Chiroptical methods, specifically VCD and ECD, were successfully employed to determine the absolute configuration of these compounds, representing the first example reported for organoselenium derivatives.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Review
Biochemistry & Molecular Biology
Cecilia Scimmi, Luca Sancineto, Jozef Drabowicz, Claudio Santi
Summary: This article provides a detailed overview of oxidative depolymerization of lignin and biomass valorization. It compares the advantages and disadvantages of different methods, highlights the green aspects, and gives an overview of selenium catalyzed lignin valorization.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Marian Mikolajczyk, Bogdan Bujnicki, Jozef Drabowicz, Marek Cypryk
Summary: Optically active dialkoxyisopropylsulfonium salts were synthesized by methylation (ethylation) of optically active alkyl isopropanesulfinates. The alkali hydrolysis of methoxy(alkoxy)sulfonium salts revealed the formation of methyl isopropanesulfinate and alkyl isopropanesulfinate, with a slightly predominant inversion of configuration at the sulfur atom. DFT calculations suggested a stepwise addition-elimination (A-E) mechanism with the formation of tetracoordinate S-IV sulfurane intermediates. Furthermore, the DFT calculations demonstrated that the recombination of hydroxy anion with the methoxy(alkoxy)sulfonium cation, followed by direct decomposition, is the most energetically favorable pathway leading to the parallel formation of the two most stable primary sulfuranes.
Article
Chemistry, Physical
Bogdan Bujnicki, Przemyslaw Sowinski, Tomasz Makowski, Dorota Krasowska, Patrycja Pokora-Sobczak, Inna Shkyliuk, Jozef Drabowicz, Ewa Piorkowska
Summary: The microbiological purity of cotton fabric can be achieved through a new disinfection method, which also reduces washing time and energy consumption. Mechanical properties of the fabric are only slightly affected after 120 disinfection and washing cycles.
Article
Biochemistry & Molecular Biology
Jaroslaw Blaszczyk, Bogdan Bujnicki, Patrycja Pokora-Sobczak, Grazyna Mielniczak, Leslaw Sieron, Piotr Kielbasinski, Jozef Drabowicz
Summary: The aim of this research is to provide a detailed description of the synthesis of compounds containing a stereogenic heteroatom and to determine their structures through X-ray analysis. These compounds are potential candidates for use as chiral solvating agents, precursors of chiral ionic liquids, or ligands in organometallic catalysts.
Article
Polymer Science
Dorota Krasowska, Stanislaw Wysocki, Magdalena Janicka, Tomasz Girek, Alina Mielniczak, Jozef Drabowicz
Summary: This study reported the first synthesis of new chiral polythiophenes and the successful application of chemical oxidative polymerization methods to obtain polymeric materials with optical activity and regioirregular coupling.