A novel charge-transfer complex triggered sulfonylation of 1,4-diazabicyclo[2.2.2]octane (DABCO) with mild reaction conditions has been developed. The formation of a charge-transfer complex between electron-withdrawing (hetero)aryl sulfonyl chloride and DABCO allows the synthesis of -ethylated piperazine sulfonamide in good yields. The reaction has a high functional group tolerance. Spectroscopic studies confirmed the charge-transfer complex formation between sulfonyl chlorides and DABCO, which facilitates the C-N bond cleavage of DABCO.
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http://dx.doi.org/10.1002/open.201800251 | DOI Listing |
Sci Rep
December 2024
Corrosion and Surface Engineering CSIR, National Metallurgical Laboratory, Jamshedpur, India.
Chloride-induced corrosion of steel rebars embedded in mortar was effectively controlled by blending of gallic acid in wet mixture. Mixing of optimized concentration of gallic acid (GA) inhibitor (0.125%) in mortars considerably increased the charge transfer resistance of embedded rebars (80.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States.
Designing catalysts with well-defined active sites with chemical functionality responsive to visible light has significant potential for overcoming scaling relations limiting chemical reactions over heterogeneous catalyst surfaces. Visible light can be leveraged to facilitate the removal of strongly bound species from well-defined single cationic sites (Rh) under mild conditions (323 K) when they are incorporated within a photoactive perovskite oxide (Rh-doped SrTiO). CO, a key intermediate in many chemistries, forms stable geminal dicarbonyl Rh complexes (Rh(CO)), that could act as site blockers or poisons during a catalytic cycle.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Department of Mechanical Engineering, Texas Tech University, Lubbock, Texas, USA.
Multi-copper oxidases (MCOs) are enzymes of significant interest in biotechnology due to their efficient catalysis of oxygen reduction to water, making them valuable in sustainable energy production and bio-electrochemical applications. This study employs time-dependent density functional theory (TDDFT) to investigate the electronic structure and spectroscopic properties of the Type 1 (T1) copper site in Azurin, which serves as a model for similar sites in MCOs. Four model complexes of varying complexity were derived from the T1 site, including 3 three-coordinate models and 1 four-coordinate model with axial methionine ligation, to explore the impact of molecular branches and axial coordination.
View Article and Find Full Text PDFDalton Trans
December 2024
Organometallics and Materials Chemistry Lab, Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana, 502285, India.
Three 1-(anthracene-9-ylmethyl)-3-isopropyl-imidazol-2-thione Zn(II) halide complexes (1-3) and one 1-(anthracene-9-ylmethyl)-3-isopropyl-imidazol-2-selone Zn(II) dichloride complex (4) were synthesized and characterized. Complexes 2, 3, and 4 exhibited distorted tetrahedral geometries, while complex 1 adopted a regular tetrahedral geometry. All these complexes displayed emission in the crystalline state, with complex 3 emitting in the yellow region and complex 1 and 4 in the blue region, while complex 2 gave a bluish-green emission.
View Article and Find Full Text PDFJ Biomol Struct Dyn
December 2024
Department of Chemistry, Dyal Singh College, University of Delhi, New Delhi, India.
From the most prevalent cancers, breast and lung cancers have a meager survival rate for both men and women. These two cancers are related to each other. Breast cancer can possibly spread to the lungs or the region between the lung and the chest wall.
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