Article
Biochemistry & Molecular Biology
Guler Yagiz, Samir Abbas Ali Noma, Aliye Altundas, Khattab Al-khafaji, Tugba Taskin-Tok, Burhan Ates
Summary: This study synthesized various triazole derivatives under green chemistry conditions and investigated their inhibition properties on xanthine oxidase activity. The results showed promising inhibition activities of certain derivatives against XO enzyme, with good correlation between docking scores and IC50 values. These findings provide a promising start for the development of novel and potent XO inhibitors.
BIOORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Basvaraj S. Kote, Harish S. Kunchur, Latchupatula Radhakrishna, Madhusudan K. Pandey, Maravanji S. Balakrishna
Summary: The synthesis of a triazole appended dinucleating bisphosphine and its coinage metal complexes were described, including dimeric copper complexes, hetero-cubane silver complex, disilver complexes, dinuclear acetate bridged silver complex, and digold complex. The molecular structures of these complexes were confirmed by single crystal X-ray analysis, showing non-covalent interactions between copper and C-arene.
DALTON TRANSACTIONS
(2021)
Article
Biochemistry & Molecular Biology
Christopher R. Butler, Justin Bendesky, Allen Milton Schoffstall
Summary: Regioselective reactions are important in synthetic organic chemistry, as seen in the reduction of 1-substituted 1,2,3-triazole 4,5-diesters where the C(5) ester groups are more reactive and the presence of a beta-hydroxyl group on the N(1)-substituent enhances the reduction rate. The regioselectivity is attributed to lower electron densities in the C(5) and C(5) ester carbonyl carbon of the 1,2,3-triazole, especially in cases involving intramolecular hydrogen bonding.
Article
Chemistry, Inorganic & Nuclear
David Schallenberg, Nils Pardemann, Alexander Villinger, Wolfram W. Seidel
Summary: The preparative access to and first group 10 metal complexes of novel 1H-1,2,3-triazole-4,5-dithiolate ligands (tazdt(2-)) are reported. A set of S-protected 1H-1,2,3-triazole-4,5-dithiol derivatives were synthesized by a 1,3-dipolar cycloaddition catalysed by either Ru(ii) or Cu(i), and the removal of benzyl groups was found to be superior. Coordination of these ligands led to the formation of various metal complexes. The properties of the Ni and Pd complexes were determined by spectroscopy and calculations.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Physical
Xue Li, Jun Wu, Tianjiao Hou, Hongping Li, Lei Wang, Jing Ding, Hui Wan, Guofeng Guan
Summary: A series of hypergolic ionic liquids, namely bis(1H-1,2,3-triazole-1-yl) dihydroborate (BTDB) hypergolic ionic liquids, with low melting points, high density, and superior density-specific impulse, were successfully synthesized. Among them, 1,3-diallyl-1H-imidazol-3-ium bis(1H-1,2,3-triazole-1-yl) dihydroborate exhibited promising potential as a rocket fuel.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Chemistry, Physical
Pedro N. Batalha, Teodora Mocanu, Sergiu Calancea, Maria G. F. Vaz, Marius Andruh
Summary: Seven new coordination complexes have been synthesized using triazolyl based ligands. These complexes exhibit various structures and are stabilized by π-π stacking interactions and hydrogen bonding.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Biochemistry & Molecular Biology
Bharvi Sharma, Sumit Kumar, Preeti, Matt D. Johansen, Laurent Kremer, Vipan Kumar
Summary: In this study, a library of isatin-derived bis(heteronuclear hydrazones) were designed, synthesized, and evaluated for their antimycobacterial activity. Compounds with isoniazid core and polar-donating groups at the C-5 position of isatin showed the most promising antibacterial activity against tuberculosis, while being non-cytotoxic to host cells.
CHEMICAL BIOLOGY & DRUG DESIGN
(2022)
Article
Biochemistry & Molecular Biology
Sahar Soror, Asmaa M. Fahim, Samia Elabbady, Ekhlass Nassar, Asmaa Aboelnaga
Summary: A new method for the multi-step synthesis reaction was studied, and the characterization of the synthetic products and evaluation of antimicrobial activity were carried out. The experimental results showed that these compounds have potential antimicrobial activity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Organic
Alexander N. Koronatov, Kseniia K. Afanaseva, Pavel A. Sakharov, Nikolai V. Rostovskii, Alexander F. Khlebnikov, Mikhail S. Novikov
Summary: A new method for the synthesis of 1-alkyl-3-sulfonamido-1H-pyrroles via the Rh(ii)-catalyzed denitrogenative coupling of two different types of 1,2,3-triazoles has been developed. The reaction mechanism involves the attack of the rhodium-bound azavinyl carbene, leading to the formation of metal-free ylides and subsequent conversion to the desired products. This protocol provides high yields of 3-sulfonamidopyrroles, demonstrating promising synthetic applications.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Biochemistry & Molecular Biology
Willyenne M. Dantas, Valentina N. M. de Oliveira, Diogo A. L. Santos, Gustavo Seabra, Prem P. Sharma, Brijesh Rathi, Lindomar J. Pena, Ronaldo N. de Oliveira
Summary: Viruses like Zika virus (ZIKV) are responsible for certain diseases, but there is currently no specific treatment available. A study found that specific hybrid compounds have antiviral activity against ZIKV, showcasing potential for future applications.
Article
Chemistry, Multidisciplinary
Ashruba B. Danne, Mukund Deshpande, Jaiprakash N. Sangshetti, Vijay M. Khedkar, Bapurao B. Shingate
Summary: This study describes the design of a small library of new 1,2,3-triazole-appended bis-pyrazoles using a molecular hybridization approach, which show broad-spectrum antifungal activity with excellent minimum inhibitory concentration values against various fungal strains. Additionally, the compounds also exhibit promising antioxidant activity.
Article
Biochemistry & Molecular Biology
Zili Chen, Yu Jiang, Chen Xu, Xiangyu Sun, Chao Ma, Zihao Xia, Hanqing Zhao
Summary: In this study, potential glucosamine-6-phosphate synthase (GlmS) inhibitor bactericides were developed through the synthesis of 18 triazole-derivative compounds. Some of these compounds showed significant antifungal effects against Sclerotinia sclerotiorum at low micromolar concentrations. These compounds have the potential to be used as lead compounds for antifungal drugs.
Article
Chemistry, Organic
Xinzhe Shi, Jian Zhang, Thierry Roisnel, Jean-Francois Soule, Henri Doucet
Summary: The reactivity of 2-benzyl-1,2,3-triazole in palladium-catalyzed direct arylation was investigated, leading to the selective synthesis of 2-benzyl-4-aryl-1,2,3-triazoles and subsequent synthesis of 4,5-diarylated 2-benzyl-1,2,3-triazoles. This selective 4,5-diarylation was successfully applied for the synthesis of pi-extended polycyclic heteroaromatic structures phenanthro[9,10-d][1,2,3]triazoles through Pd-catalyzed C4- and C5-intermolecular arylations followed by Pd-catalyzed C-H intramolecular arylation.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Bajrang Lal, Sachin Kumar, Ram Kumar Tittal, Gurleen Singh, Jandeep Singh, Vikas D. Ghule, Ramling S. Mathpati, Jagjivan K. Sabane
Summary: In this study, two molecular probes of 4-aminoantipyrine-linked bis-1,2,3-triazoles were investigated for metal ion sensing applications. The results showed that both probes exhibited stronger and more selective responses towards Cu(II) compared to other tested metal ions. By analyzing and calculating the data, the stoichiometric ratio and association constants of the probes with the metal ion were determined.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Medicinal
Nazariy Pokhodylo, Nataliya Finiuk, Olha Klyuchivska, Rostyslav Stoika, Vasyl Matiychuk, Mykola Obushak
Summary: In this study, a novel N-(5-benzylthiazol-2-yl) amide compound 3d was designed and synthesized. It exhibited significant anticancer activity against various tumor cell lines, particularly chronic myeloid leukemia cells. Compound 3d also caused DNA damage and induced apoptosis in leukemia cells.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Benjamin E. Kucera, Victor G. Young, William W. Brennessel, John E. Ellis
Summary: The research investigates derivatives of bis(naphthalene)vanadates, revealing stable compounds with various carboxylate ligands. The study provides new insights into the characterization of bis(naphthalene)vanadates.
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Brett M. Hakey, Dylan C. Leary, Lauren M. Lopez, Leyla R. Valerio, William W. Brennessel, Carsten Milsmann, Ellen M. Matson
Summary: The first actinide complexes of the pyridine dipyrrolide (PDP) ligand class have been reported, and their chemical properties and structures have been studied. The compounds exhibit rich redox profiles and distorted octahedral geometry.
INORGANIC CHEMISTRY
(2022)
Correction
Chemistry, Inorganic & Nuclear
Lauren E. Wenger, Nicholas M. Shawver, Ross E. Koby, William W. Brennessel, Brian K. Long, Timothy P. Hanusa
Article
Chemistry, Multidisciplinary
Eric Schreiber, William W. Brennessel, Ellen M. Matson
Summary: This study investigates the electronic structure of a reduced polyoxovanadate-alkoxide cluster with a bridging oxide moiety. The incorporation of bridging oxide sites quenches the cluster-wide electron delocalization in the most reduced state, resulting in a change in regioselectivity of PCET to the cluster surface. Reactivity localized at the bridging oxide site enables reversible storage of a single H-atom equivalent, altering the stoichiometry of PCET. The findings provide insights into the design of functional materials for energy storage and conversion processes.
Article
Chemistry, Inorganic & Nuclear
Aleksa Radovic, Nikki J. Wolford, Hongze Li, William W. Brennessel, Hao Xu, Michael L. Neidig
Summary: This study focuses on the ligand effects on reactivity and in situ iron speciation in the iron-catalyzed amino-oxygenation of olefins using a bisoxazoline ligand. Experimental results reveal that the ligand and solvent have significant influence on the speciation in the precatalytic mixture, leading to the formation of different species that affect the reactivity. The in situ experiments provide evidence for the formation of an iron iminyl radical species and suggest that the functionalized hydroxylamine identity can dictate the reactivity observed in these reactions.
Article
Chemistry, Physical
Maria Camila Aguilera, Achyut Ranjan Gogoi, Wes Lee, Lei Liu, William W. Brennessel, Osvaldo Gutierrez, Michael L. Neidig
Summary: Iron-bisphosphines have been widely studied as highly effective and versatile catalytic systems for cross-coupling reactions. However, the mechanistic features essential for their catalytic performance are still unclear. In this study, the authors investigate the mechanism of enantioselective coupling reactions catalyzed by chiral bisphosphine-iron complexes. By using various techniques, they reveal the key intermediates and their roles in the catalytic cycle. The study provides important insights into the radical initiation, factors contributing to side product generation, and protocol effects for selective cross-coupling methods.
Article
Chemistry, Inorganic & Nuclear
Thompson V. Marinho, Eric Schreiber, Rachel E. Garwick, William W. Brennessel, Ellen M. Matson
Summary: This paper presents the post-synthetic modification of a polyoxovanadate-alkoxide cluster by reacting its cationic form with water, leading to the synthesis of a series of POV-alkoxide clusters with different mu(2)-O2- ligands at the surface. The characterization of the clusters and investigation of their redox properties were conducted using infrared and electronic absorption spectra as well as cyclic voltammetry.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Christopher D. Hastings, Lucy S. X. Huffman, Chandan Kumar Tiwari, Jolaine Galindo Betancourth, William W. Brennessel, Brandon R. Barnett
Summary: In this study, a synthetic method for a tripodal ligand scaffold is reported, which forms a narrow and rigid cavity through a macrocyclization reaction. The resulting coordination complexes exhibit a narrow cavity and an open metal coordination site. It is shown that acetonitrile entry into the cavity is sterically precluded, disrupting anticipated coordination at the intracavity site. A new tripodal ligand system is used to access unsaturated metallates of cobalt(II), nickel(II), and zinc(II).
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Kaycie R. Malyk, Vivek G. Pillai, William W. Brennessel, Roberto Leon Baxin, Elliot S. Silk, Daniel T. Nakamura, C. Rose Kennedy
Summary: Carboxylic acid derivatives are attractive alternatives to organohalides for cross-coupling electrophiles in fine chemical synthesis. Carboxamides, in particular, have shown promise as versatile electrophiles for nickel-catalyzed coupling reactions. However, the high catalyst loadings and specific substitution patterns required have limited their applications.
Article
Chemistry, Inorganic & Nuclear
Shannon E. E. Cooney, Eric Schreiber, William W. W. Brennessel, Ellen M. M. Matson
Summary: Anionic dopants, such as O-atom vacancies, have a significant impact on the thermochemical and kinetic parameters of proton coupled electron transfer (PCET) at metal oxide surfaces. To gain insights, polyoxovanadate-alkoxide clusters are used as models of reducible metal oxide surfaces. The study shows that the presence of O-atom defects weakens the O-H bond strength and enhances the rate of H-atom uptake due to reduced activation barriers for H-atom transfer at the cluster surface.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Nicole M. B. Cogan, Kevin P. Mcclelland, Chari Y. M. Peter, Chayan Carmenate Rodriguez, Alex A. Fertig, Mitesh Amin, William W. Brennessel, Todd D. Krauss, Ellen M. Matson
Summary: A limitation in the implementation of cadmium chalcogenide quantum dots (QDs) in charge transfer systems is the efficient removal of photogenerated holes. This study shows that incorporating oxygen vacancies into polyoxovanadate-alkoxide clusters can improve hole transfer kinetics and facilitate QD-hole acceptor association through reversible complexation.
Article
Chemistry, Inorganic & Nuclear
Mamta Dagar, D. M. M. Mevan Dissanyake, Daniel N. Kesler, Molly Corr, Joshua D. Mcpherson, William W. Brennessel, James R. Mckone, Ellen M. Matson
Summary: This study demonstrates that the solubility of organic functionalized titanium-substituted polyoxovanadate-alkoxide clusters could be significantly increased in acetonitrile, leading to potential applications in non-aqueous redox flow batteries. The experimental results provide new insights into the impact of structural modifications on the physicochemical properties of these assemblies.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Medina Afandiyeva, Xijue Wu, William W. Brennessel, Abhishek A. Kadam, C. Rose Kennedy
Summary: This paper describes a novel nickel catalyst and its effective application in the hydroboration of nitriles. By using a tethered NHC-pyridonate ligand, both reagents can be activated simultaneously, enabling efficient catalysis at room temperature.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Alex. A. Fertig, Shannon E. Cooney, Rachel L. Meyer, William W. Brennessel, Ellen M. Matson
Summary: We report accelerated rates of oxygen-atom transfer from a polyoxovanadate-alkoxide cluster by functionalizing it with a 4-tertbutylcalix[4]arene ligand. The incorporation of this electron withdrawing ligand modifies the electronics of the metal oxide core, favoring a mechanism in which the rate of oxygen-atom transfer is limited by outer-sphere electron transfer.
CHEMICAL COMMUNICATIONS
(2022)
Article
Crystallography
William W. Brennessel, John E. Ellis
Summary: In the presence of THF, the reaction between [K(18-crown-6)(thf)(2)](1+) salt and 2,6-dimethylphenyl isocyanide resulted in the formation of two new iron isocyanide complexes. One of them is likely an intermediate towards a known complex [Fe(CNXyl)(5)], while the other one contains a tridentate ligand formed by the "coupling" of six CNXyl ligands.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
(2022)