Article
Chemistry, Multidisciplinary
Devesh Chandra, Nikunj Kumar, Sumit, Diksha Parmar, Puneet Gupta, Upendra Sharma
Summary: A regioselective C8 linear olefination of isoquinoline-1H-2-one with terminal (aromatic and aliphatic) alkynes is reported under Co(iii) catalysis. This study is the first to demonstrate the C8 functionalization of isoquinolone using non-noble transition metal complexes. Experimental and computational mechanistic studies have been conducted to elucidate the reaction pathway.
CHEMICAL COMMUNICATIONS
(2021)
Article
Energy & Fuels
Xiao-Bo Feng, Feng Chen, Zi-Meng He, Xiao-Yan Zhao, Jing-Pei Cao
Summary: This study investigates the performance of T zeolite in the dimethyl ether (DME) carbonylation reaction and proposes a method to improve catalytic stability. The results show that the catalytic stability can be largely improved by selectively shielding specific acid sites. In addition, it is found that coke and methyl acetate formation are catalyzed by different acid sites. The transition-state shape selectivity for methyl acetate formation is also influenced by the pore structure.
Article
Chemistry, Multidisciplinary
Yunzhou Chen, Huatian Shi, Chi-Sing Lee, Shek-Man Yiu, Wai-Lun Man, Tai-Chu Lau
Summary: The study introduces a new series of cobalt complexes that function as efficient catalysts for aerobic peroxidation of hydrocarbons at room temperature, offering a potential solution to the challenge of room temperature aerobic oxidation of hydrocarbons.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Inorganic & Nuclear
Sonu Sheokand, Maravanji S. Balakrishna
Summary: This study presents the synthesis of a triazolyl-pyridine-based aminophosphine compound and its Pd and Pt complexes, as well as their catalytic application in the annulation of internal alkynes to yield indenones. The results show that the Pd@2 catalyst generated from compound 2 can effectively catalyze the annulation reaction.
INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Physical
Mona Abdelgaid, Giannis Mpourmpakis
Summary: This article discusses the importance of heterogeneous catalysts in industrial chemical transformations, with a focus on metal oxides as catalysts and the application of computational chemistry in catalyst discovery. Through structure-activity relationships, promising catalytic materials can be rapidly predicted to guide experimental research. The article also provides detailed insights into the applications of oxides in industrial reactions such as methane activation and conversion, alkane dehydrogenation, and alcohol dehydration.
Article
Chemistry, Inorganic & Nuclear
Allan J. Canty, Alireza Ariafard
Summary: This study reveals the two-stage palladium-catalyzed reaction mechanism for the synthesis of 2,2,2-trifluoroethyl-substituted acrylamides. In the first stage, palladium acetate promotes NH-deprotonation and CH-activation, leading to the formation of Pd-IV intermediate. In the second stage, [Pd(LH)(NCMe)](+) is used as the catalyst, and outer-sphere CH-activation and N-protonation reactions result in the formation of the product.
Article
Chemistry, Multidisciplinary
Abhijit Shinde, Sandip R. Ugale, Yogesh Nandurkar, Manisha Modak, Abhijit P. Chavan, Pravin C. Mhaske
Summary: The study synthesized a series of novel oxetanyl-quinoline derivatives and evaluated their antibacterial, antifungal, and antimycobacterial activities, with promising results suggesting their potential as lead compounds for treating mycobacterial infections.
Article
Chemistry, Multidisciplinary
Jian Wang, Cheng Zhang, Xiao-Qing Ye, Wenting Du, Shenxin Zeng, Jian-Hong Xu, Hong Yin
Summary: The benzylic aerobic oxidation catalyzed by cheap and simple N-hydroxyimide organocatalyst is efficient and practical, with high yields and broad substrate scope. The catalyst can be recycled, and only a small amount of simple iron salt is used as promoter. This methodology also discusses the influence of substituents, gram-scale application, catalyst decay, and the general mechanism.
Article
Computer Science, Interdisciplinary Applications
Jinling Yang, Ligong Wang, Xiuwen Yang
Summary: This paper explores the phenomenon of twins in mixed graphs and the properties of twin reduction graphs, providing upper and lower bounds for the number of vertices in certain cases and characterizing twin reduction graphs for connected mixed bipartite graphs with specific H-ranks. It also identifies all connected mixed graphs with certain H-ranks among those containing induced mixed odd cycles of certain lengths.
JOURNAL OF COMBINATORIAL OPTIMIZATION
(2021)
Article
Chemistry, Multidisciplinary
Jean-Philippe Cloutier, Fahimeh Zamani, Davit Zargarian
Summary: The importance of aerobic conditions in promoting the reactivities that give functionalized ligands NC(X)N has been established. Furthermore, the significance of oxidation for C-heteroatom bond formation was further deduced from the reaction of the structurally authenticated complex (NCN)Ni(OSiMe3) with CuBr2 to give the C-O functionalization product NC(OSiMe3)N.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Priya Singh, Yuri Lee, Jaycee R. Mayfield, Reena Singh, Melissa C. Denler, Shannon D. Jones, Victor W. Day, Ebbe Nordlander, Timothy A. Jackson
Summary: A series of manganese(II) and oxomanganese(IV) complexes with different ligand-field strengths were synthesized and characterized. The [Mn-IV(O)(N4py(Me2))]2+ complex showed the weakest equatorial ligand field, while the [Mn-IV(O)(N2py2I)]2+ complex exhibited the strongest equatorial ligand-field strength. The [Mn-IV(O)(N3pyQ)]2+ complex with quinoline and pyridine donors showed high reactivity in C-H bond and thioanisole oxidation reactions.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Yurgenis Henriquez, Lino Hernandez, Neudo Urdaneta, Eller Galarraga, Angel Santorelli, Vanessa R. Landaeta, Rafael E. Rodriguez-Lugo, Mary Lorena Araujo, Vito Lubes
Summary: This study involves the synthesis of ligand HL and the investigation of its protonation constants, as well as the investigation of stability constants of binary and ternary nickel-ligand systems. Experimental measurements of stability constants were conducted with various amino acids under different pH conditions, and species distribution diagrams were briefly discussed.
PHYSICS AND CHEMISTRY OF LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Ai-Min Li, Yi Wang, Domonique O. Downing, Fu Chen, Peter Zavalij, Alvaro Munoz-Castro, Bryan W. Eichhorn
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Physics, Multidisciplinary
Chris Eckberg, Daniel J. Campbell, Tristin Metz, John Collini, Halyna Hodovanets, Tyler Drye, Peter Zavalij, Morten H. Christensen, Rafael M. Fernandes, Sangjun Lee, Peter Abbamonte, Jeffrey W. Lynn, Johnpierre Paglione
Article
Materials Science, Multidisciplinary
M. C. Palenik, C. A. Klug, M. W. Conroy, S. A. Fischer, D. Gunlycke, B. Dunlap, L. Stevens, P. Zavalij, B. Eichhorn
PHYSICAL REVIEW MATERIALS
(2020)
Article
Engineering, Manufacturing
Jacob C. Simmons, Xiaobo Chen, Arad Azizi, Matthias A. Daeumer, Peter Y. Zavalij, Guangwen Zhou, Scott N. Schiffres
ADDITIVE MANUFACTURING
(2020)
Article
Chemistry, Multidisciplinary
Weijian Xue, Peter Y. Zavalij, Lyle Isaacs
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Chemistry, Physical
Greg Brewer, Raymond J. Butcher, Peter Zavalij
Article
Chemistry, Multidisciplinary
Steven Murkli, Jared Klemm, David King, Peter Y. Zavalij, Lyle Isaacs
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Chemistry, Organic
Xiaoyong Lu, Sandra A. Zebaze Ndendjio, Peter Y. Zavalij, Lyle Isaacs
Article
Nanoscience & Nanotechnology
A. R. Kytsya, L. I. Bazylyak, I. Yu. Zavaliy, Yu. V. Verbovytskyy, P. Zavalij
Summary: Bimetallic Ni-Cu nanoparticles with different (Ni/Cu) ratio were synthesized through a fast and simple reduction process in water/ethylene glycol solutions. The nanoparticles showed polydisperse sizes within 20-70 nm, with the particle diameter slightly depending on the Ni/Cu ratio. Additionally, XRD and EDX analyses revealed changes in lattice parameters and core-shell structure, respectively.
APPLIED NANOSCIENCE
(2022)
Article
Chemistry, Inorganic & Nuclear
A. P. Prakasham, Arkadi Vigalok, Andrei N. Vedernikov
Summary: A series of Pd(II) aryl complexes with a PNO-type pincer ligand bearing a weakly coordinated benzofuran side arm has been studied. The Pd-O distances were found to depend on the aromatic group at the Pd center. Changing the electron density at the metal can affect these interactions and be utilized in chemical reactions.
Article
Engineering, Environmental
Matthew B. Leonard, Tianyu Li, Morgan J. Kramer, Shannon M. McDonnell, Andrei N. Vedernikov, Efrain E. Rodriguez
Summary: The research suggests that CeO2 is the most reactive material, with a surface area normalized rate constant 3-4.6 times larger than TiO2 and CexTi1_xO2 series. Additionally, the nature of the cation is found to be less significant in the reactivity of methyl paraoxon on these MMOs compared to factors like crystal structure type.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Organic
Michael Hitt, Andrei N. Vedernikov
Summary: N-Trifluoroacetoxyquinuclidinium trifluoroacetate was prepared in situ and used as a reagent for the high-yielding oxidative trifluoroacetoxylation of benzylic C-H bonds. The reaction showed selectivity for 2 degrees benzylic C-H bonds and suggested a hydrogen-atom transfer mechanism for alkylbenzenes.
Article
Chemistry, Inorganic & Nuclear
Jiaheng Ruan, Daoyong Wang, Morgan J. Kramer, Peter Y. Zavalij, Andrei N. Vedernikov
Summary: In this study, two sulfonated CNN-pincer ligands were used to explore the oxidative functionalization of the PtII-Me bond in derived complexes, with O2 and H2O2 as oxidants. Different high-valent platinum complexes were produced depending on the oxidant used, showing the importance of ligand structure on the reaction outcome.
Article
Chemistry, Organic
Michael Hitt, Andrew Norris, Andrei N. N. Vedernikov
Summary: A series of N-aroyloxyquinuclidinium salts were synthesized and used as reagents for efficient three-component Ritter-Mumm-type oxidative C-H imidation reactions. The benzylic C-H bonds of 1 & DEG; and 2 & DEG; substituents were used as limiting reagents, with nitriles as the source of imide nitrogen under photocatalytic conditions. These reagents also showed slightly lower reactivity towards cycloalkanes.
Article
Chemistry, Multidisciplinary
Shrinwantu Pal, Kyoko Nozaki, Andrei N. Vedernikov, Jennifer A. Love
Summary: The study demonstrates complete deuteration of Pt-CH3 fragments through a metal-ligand cooperative mechanism, resulting in the synthesis of (dp)Pt-II(CD3)(2). Experimental results show that the DPK ligand enables Pt-CH3 deuteration, while other model ligands lead to non-rate-limiting reductive coupling reactions.