Article
Biochemistry & Molecular Biology
Brian A. Chalmers, D. M. Upulani K. Somisara, Brian A. Surgenor, Kasun S. Athukorala Arachchige, J. Derek Woollins, Michael Buehl, Alexandra M. Z. Slawin, Petr Kilian
Summary: A series of phosphorus-arsenic peri-substituted acenaphthene species were isolated and characterized, revealing their interactions and properties in solid state. The study provided insights into the mechanism of these species and their thermal stability through experimental and computational methods.
Article
Chemistry, Multidisciplinary
Wei W. Chen, Nahiane Pipaon Fernandez, Marta Diaz Baranda, Anton Cunillera, Laura G. Rodriguez, Alexandr Shafir, Ana B. Cuenca
Summary: This report discusses the stepwise construction of multi-substituted C(sp)TJ0VL(3)X carbon centers using gem-alpha,alpha-dimetalloid-substituted benzylic reagents. Highly chemoselective transformations of C-Si (or C-Sn) or C-B bonds in gem-C-sp(3) centers were achieved through various approaches, including metal-free arylation guided by iodanes and Suzuki-Miyaura arylation. DFT calculations show that the transfer of (alpha-Bpin)benzyl group proceeds via an unusual [5,5]-sigmatropic rearrangement driven by high-energy iodine(iii) center.
Article
Chemistry, Organic
Xinmiao Wang, Yinfeng Meng, Lei Hou, Yaoyu Wang, Wenyuan Wang
Summary: This study focused on the synthesis and properties of various beta-diketiminato aluminum complexes, which were characterized using NMR spectroscopy, X-ray structural analysis, and other techniques. The research found that halogen replacement reactions can occur under specific conditions, leading to the formation of corresponding beta-diketiminato aluminum complexes.
TETRAHEDRON LETTERS
(2021)
Article
Engineering, Electrical & Electronic
Emna Souidi, Senda Said, Cecile Autret-lambert, Daniela Neacsa, Adel Megriche
Summary: In this study, CCTO ceramics were fabricated using solid, citrate, urea, and glycine methods, and the effects of synthesis techniques on the structural and electrical properties of the material were assessed. The results showed that all ceramics prepared by different methods exhibited high dielectric constants and low loss tangents. Ceramics elaborated by the citrate method showed a relatively high dielectric constant and low dielectric loss.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Sanjukta Pahar, Gargi Kundu, Christy P. George, Rajesh G. Gonnade, Sakya S. Sen
Summary: This article describes the coordination chemistry of the imidazolidin-2-imine ligand with aluminum. The reaction between the ligand and AlH3 yielded a dimeric aluminum dihydride. Substitution of hydride with various groups such as methyl, chloride, and bromide was achieved through different reactions. Additionally, reactions with different compounds led to the introduction of unusual functionalities onto alane.
Article
Chemistry, Inorganic & Nuclear
Rishabh Ujjval, Hilal Ahmad Khan, Chinnappan Sivasankar, Natesan Thirupathi
Summary: In this study, a rigid 2-aminobenzimidazole type guanidine and its platinum complexes were synthesized through a series of reactions and characterized by various physical and chemical methods. The reaction mechanism was also explained through DFT calculations.
Article
Chemistry, Multidisciplinary
Ilya P. Limarev, Genrikh E. Zelinskii, Svetlana A. Belova, Pavel Dorovatovskii, Anna V. Vologzhanina, Ekaterina G. Lebed, Yan Z. Voloshin
Summary: A comprehensive and straightforward synthetic strategy for iron(II) clathrochelates with functionalizing substituents has been developed. The reaction conditions and precursor-to-dinucleophile molar ratios play a crucial role in determining the number and characteristics of the substituents in the clathrochelates.
CHINESE JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Emiel Dobbelaar, Christian Rauber, Thorsten Bonck, Harald Kelm, Markus Schmitz, Matina Eloise de Waal Malefijt, Johannes E. M. N. Klein, Hans-Jorg Kruger
Summary: The study presents iron complexes that mimic the active iron site in rabbit lipoxygenase, showing their role in catalyzing hydrogen atom abstraction reactions and acting as radical initiators in specific reactions. The structural and electronic properties of the complexes reflect essential states found in the enzymatic mechanism, supporting a concerted proton-coupled electron transfer mechanism.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Victor V. Verpekin, Oleg S. Chudin, Alexander A. Kondrasenko, Galina Burmakina, Alexander D. Vasiliev, Dmitry Zimonin, Anatoly Rubaylo
Summary: In this study, new binuclear MnPt mu-vinylidene complexes with a terminal platinum-coordinated 1-adamantyl isocyanide ligand were prepared and characterized. The influence of the platinum-coordinated 1-adamantyl isocyanide ligand on the properties of the synthesized mu-vinylidene compounds was studied.
TRANSITION METAL CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Gianluca Malavasi, Alfonso Pedone
Summary: The research investigated the effects of adding metal oxides of Ce, Ti, V, Mn, Fe, Co, Cu, and Zr to bioactive glasses, revealing their impact on the density, thermal properties, and chemical durability of the glasses. Experimental and computational methods were employed to offer insights into the structure-property relationships helpful for the rational design of new glass compositions.
Article
Chemistry, Organic
Anoop Kumar Pandey, Vikas Baboo, Vijay Narayan Mishra, V. K. Singh, Apoorva Dwivedi
Summary: A detailed first principle study was conducted on three thiadiazole-containing Schiff base ligands with phenol, chloro, and bromo groups using Density Functional Theory. The structural properties were found to be similar to literature data, and the vibrational spectra were calculated and compared with experimental results for the phenol-substituted molecule. The study also included TDDFT calculations, NBO analysis, and evaluation of biological parameters, showing potential for drug delivery in various diseases. Reactivity of the molecules was also analyzed using various descriptors, indicating promising results.
POLYCYCLIC AROMATIC COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Roman A. Selin, Viktor Ya Chernii, Dmytro Kryvorotenko, Andriy Mokhir, Yan Z. Voloshin
Summary: Two common synthetic approaches were compared for functionalizing reactive three-dimensional molecular platforms to obtain fluorescently labelled iron(II) clathrochelates, allowing for the study of their localization and accumulation in cancer cells. The esterification approach resulted in low yield, while a copper-promoted 1,3-dipolar cycloaddition click reaction produced the target complexes in high yield.
Article
Chemistry, Multidisciplinary
Conor L. Oates, Alister S. Goodfellow, Michael Buhl, Matthew L. Clarke
Summary: DFT calculations were carried out on the full catalytic cycle of manganese catalysed enantioselective hydrogenation of a selection of ketones. It was found that Mn complexes with a chiral P,N,N ligand showed the highest reactivity in a facial coordination mode. The use of a new ligand transformed the levels of enantioselectivity for the hydrogenation of cyclic ketones. In silico evaluation of substrates accurately predicted experimental results.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
M. Carla Aragoni, Enrico Podda, Veronica Caria, Silvia A. . Carta, M. Francesca Cherchi, Vito Lippolis, Simone Murgia, Germano Orru, Gabriele Pippia, Alessandra Scano, Alexandra M. Z. Slawin, J. Derek Woollins, Anna Pintus, Massimiliano Arca
Summary: A series of new complexes were synthesized and characterized by spectroscopic, electrochemical, and diffractometric techniques. The complexes showed promising antibacterial and antibiofilm properties against both Gram-positive and Gram-negative bacterial strains.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Claire N. Brodie, Aniekan E. Owen, Julian S. Kolb, Michael Buhl, Amit Kumar
Summary: Polyethyleneimines have various applications in products like detergents, adhesives, cosmetics, and processes such as tissue culture, gene therapy, and CO2 capture. The current production method for branched polyethyleneimines uses a highly toxic, volatile, and mutagenic feedstock called aziridine, which raises significant health and environmental concerns. This study presents a novel approach to synthesize branched polyethyleneimine derivatives using safer, environmentally friendly, commercially available, and potentially renewable feedstocks such as ethylene glycol and ethylenediamine. The reaction is catalyzed by an abundant metal, manganese, and produces water as the only by-product.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Biochemistry & Molecular Biology
R. Alan Aitken, Lynn A. A. Power, Alexandra M. Z. Slawin
Summary: (2S,5S)-5-Phenyl-2-t-butyl-1,3-dioxolan-4-one, derived from mandelic acid, can undergo Michael addition reactions with butenolide and 4-methoxy-beta-nitrostyrene, with the absolute configuration of the products confirmed by X-ray diffraction. Thermal fragmentation of the dioxolanone in these reactions results in the formation of phenyl ketone and chiral epoxy ketone, demonstrating its role as a chiral benzoyl anion equivalent and chiral ketene equivalent, respectively. Additionally, the Diels-Alder cycloaddition chemistry of (2S)-5-methylene-2-t-butyl-1,3-dioxolan-4-one, derived from lactic acid, has been studied, and the X-ray structures of four adducts have been determined, providing insights into the mechanism of dioxolanone fragmentation.
Article
Chemistry, Organic
Zachary H. Davis, Cameron L. Carpenter-Warren, Laurence J. Taylor, Alexandra M. Z. Slawin, Petr Kilian, Brian A. Chalmers
Summary: A binuclear tungsten(0) complex with an asymmetric bridging 1,2-diphosphole ligand was synthesized by the photolysis of tungsten hexacarbonyl in the presence of 1-isopropyl-2-phenyl-1,2,5,6-tetrahydroacenaphtho [5,6-cd][1,2]diphosphole. The tungsten complex 1 was characterized by high resolution mass spectrometry, multinuclear NMR spectroscopy (H-1, C-13, P-31), and elemental microanalysis. The structure of the trans isomer was resolved by single crystal X-ray diffraction, showing a slight elongation of the P-P bond upon coordination to the W(CO)(5) groups.
Article
Crystallography
Stephen Wark, Megan J. Lyons, Alexandra M. Z. Slawin, William T. A. Harrison
Summary: The syntheses and crystal structures of four hydrothermally prepared organozinc phosphites are described. The compounds feature vertex-sharing ZnO3N tetrahedra and HPO3 pseudo pyramids in various ratios to form different extended structures. Extensive networks of hydrogen bonds, both classical and non-classical, help to stabilize these structures.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Yaxuan Hu, Reza Abazari, Soheila Sanati, Marzieh Nadafan, Cameron L. L. Carpenter-Warren, Alexandra M. Z. Slawin, Yingtang Zhou, Alexander M. M. Kirillov
Summary: This study focuses on the synthesis and properties of a novel multifunctional cerium(III) MOF, NH2-Ce-MUM-2. Its crystal structure reveals a complex 3D framework. This MOF has unique properties such as open metal sites, free amino groups, and high stability. It can be used as a catalyst for CO2 fixation and as a material with third-order nonlinear optical activity. Rating: 8/10.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Changfeng Si, Tao Wang, Abhishek Kumar Gupta, David B. Cordes, Alexandra M. Z. Slawin, Jay S. Siegel, Eli Zysman-Colman
Summary: Corannulene-derived materials have been extensively studied in energy storage and solar cells. However, their potential as emitters in light-emitting sensors and OLEDs has been largely unexplored. In this study, a family of multi-D-A motifs, TCzPhCor, TDMACPhCor, and TPXZPhCor, were developed by using corannulene as the acceptor and different donors. These materials exhibit multiple phosphorescence and show promise in temperature sensing and OLED applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Lutao Zhang, Francesca A. Christie, Anna E. Tarcza, Helena G. Lancaster, Laurence J. Taylor, Michael Buhl, Olga L. Malkina, J. Derek Woollins, Cameron L. Carpenter-Warren, David B. Cordes, Alexandra M. Z. Slawin, Brian A. Chalmers, Petr Kilian
Summary: A series of peri-substituted acenaphthene-based phosphine selenoether bidentate ligands were synthesized and their properties in coordination with metals were investigated. The rigid ligands exhibited strong coupling effects and the coordination atoms were bridged by Lewis acidic motifs in the solid-state structures. Analysis of the NMR and X-ray diffraction data of the synthesized metal complexes provided insights into the interaction between the ligands and metals.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Anna E. Tarcza, Alexandra M. Z. Slawin, Cameron L. Carpenter-Warren, Michael Buhl, Petr Kilian, Brian A. Chalmers
Summary: A series of oxidized acenaphthene species with peri-substituted phosphorus and selenium have been isolated and characterized. The presence of two major rotamers in solution has been observed and identified using NMR spectroscopy, VT NMR, DFT calculations, and solid-state NMR. The oxidation process leads to the loss of through-space coupling.
Article
Chemistry, Inorganic & Nuclear
Hessa H. Al-Rasheed, Sarah A. AL-khamis, Ayman El-Faham, Assem Barakat, Alexandra M. Z. Slawin, John Derek Woollins, Saied M. Soliman
Summary: The unexpected tetranuclear [Cu-4(DPPT)(2)Cl-6] complex was obtained through self-assembly, and it showed good antifungal and antibacterial activity against Gram-positive bacteria.
Article
Chemistry, Inorganic & Nuclear
Saied M. Soliman, Eman M. Fathalla, Mona M. Sharaf, Ayman El-Faham, Assem Barakat, Matti Haukka, Alexandra M. Z. Slawin, John Derek Woollins, Morsy A. M. Abu-Youssef
Summary: This article introduces a new Co(II) perchlorate complex with the ligand 4,4'-(6-(1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine (BMBIT). The structure of the complex is confirmed using single-crystal X-ray diffraction. The complex has distorted octahedral coordination geometry with two BMBIT ligand units and four water molecules as monodentate ligands. The complex exhibits good antifungal activity and broad spectrum antimicrobial action.