Day: October 12, 2022

Adamczak, Ashley K.; Howard, William A.; Wheeler, Kraig A. published the artcile< Enhanced nucleophilic substitution with coordinated 4,4'-dichloro-2,2'-bipyridine: X-ray structures of 4,4'-dichloro-2,2'-bipyridine (Bipy-Cl2), cis-dichlorobis(4,4'-dichloro-2,2'-bipyridine)rhodium(III) hexafluorophosphate [Rh](PF6), and tris(4,4'-dichloro-2,2'-bipyridine)ruthenium(II) hexafluorophosphate [Ru](PF6)2>, HPLC of Formula: 1762-41-0, the main research area is ruthenium rhodium chlorobipyridine complex preparation crystal structure; optimized mol structure ruthenium rhodium chlorobipyridine complex.

The chem. reactivity of 4,4′-dichloro-2,2′-bipyridine (bipy-Cl2) changes profoundly upon coordination to a [Ru]2+ center. When not coordinated to [Ru]2+, bipy-Cl2 is relatively unreactive toward nucleophiles; but when coordinated to [Ru]2+, the chlorine atoms become susceptible to nucleophilic displacement. The x-ray structures of bipy-Cl2, cis-dichlorobis (4,4′-dichloro-2,2′-bipyridine)rhodium(III) hexafluorophosphate [Rh](PF6), and tris(4,4′-dichloro-2,2′-bipyridine)ruthenium(II) hexafluorophosphate [Ru](PF6)2 reveal that the carbon-chlorine bond lengths do not change substantially upon coordination to the rhodium or ruthenium centers – implying that the carbon-chlorine bond strengths also do not change substantially. B3LYP calculations reveal that the standard enthalpy of activation (ΔH°≠) for the nucleophilic substitution of the chlorine atom in [Ru (bipy)2{bipy-Cl}]2+(bipy = 2,2′-bipyridine; bipy-Cl = 4-chloro-2,2′-bipyridine) by OCH3- is 46.7 kJ mol-1, while the calculated ΔH°≠ value for the nucleophilic substitution of the chlorine atom in free bipy-Cl by OCH3- is 72.8 kJ mol-1. However, the B3LYP calculations of the ΔH°≠ values for the nucleophilic displacement of the chlorine atom in the cis and trans isomers of [Ru (bipy) (2,2′-biphenyl){bipy-Cl}], which are neutral complexes, are 76.0 and 73.8 kJ mol-1 resp. – comparable to that for the reaction involving free bipy-Cl. Hence, the calculations suggest that the overall pos. charge of the complex is primarily responsible for lowering the activation barrier to nucleophilic substitution in coordinated chloro-bipyridines.

Journal of Molecular Structure published new progress about Crystal structure. 1762-41-0 belongs to class pyridine-derivatives, and the molecular formula is C10H6Cl2N2, HPLC of Formula: 1762-41-0.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Wenming; Holyoke, Caleb W. Jr.; Pahutski, Thomas F.; Lahm, George P.; Barry, James D.; Cordova, Daniel; Leighty, Robert M.; Singh, Vineet; Vicent, Daniel R.; Tong, My-Hanh T.; Hughes, Kenneth A.; McCann, Stephen F.; Henry, Yewande T.; Xu, Ming; Briddell, Twyla A. published the artcile< Mesoionic pyrido[1,2-a]pyrimidinones: Discovery of triflumezopyrim as a potent hopper insecticide1>, Synthetic Route of 56622-54-9, the main research area is mesoionic pyrido pyrimidinone preparation hopper insecticidal activity SAR; triflumezopyrim preparation hopper insecticidal activity SAR; Acetylcholine receptor; Inhibitor; Insecticide; Mesoionic; Pyrido[1,2-a]pyrimidinone; Triflumezopyrim.

A novel class of mesoionic pyrido[1,2-a]pyrimidinones has been discovered with exceptional insecticidal activity controlling a number of insect species. In this communication, we report the part of the optimization program which led to the discovery of triflumezopyrim (I) as a highly potent insecticide controlling various hopper species. Our efforts in discovery, synthesis, structure-activity relationship elucidation, and biol. activity evaluation are also presented.

Bioorganic & Medicinal Chemistry Letters published new progress about Acute toxicity. 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Synthetic Route of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Takrouri, Khuloud; Cooper, Harold D.; Spaulding, Adnrew; Zucchi, Paula; Koleva, Bilyana; Cleary, Dillon C.; Tear, Westley; Beuning, Penny J.; Hirsch, Elizabeth B.; Aggen, James B. published the artcile< Progress against Escherichia coli with the Oxazolidinone Class of Antibacterials: Test Case for a General Approach To Improving Whole-Cell Gram-Negative Activity>, COA of Formula: C6H5BrN2O2, the main research area is Escherichia oxazolidinone antibacterial gram neg permeation; Gram-negative; efflux pump; outer membrane permeability; oxazolidinones; porins.

Novel antibacterials with activity against the Gram-neg. bacteria associated with nosocomial infections, including Escherichia coli and other Enterobacteriaceae, are urgently needed due to the increasing prevalence of multidrug-resistant strains. A major obstacle that has stalled progress on nearly all small-mol. classes with potential for activity against these species has been achieving sufficient whole-cell activity, a difficult challenge due to the formidable outer membrane and efflux barriers intrinsic to these species. Using a set of compound design principles derived from available information relating physicochem. properties to Gram-neg. entry or activity, we synthesized and evaluated a focused library of oxazolidinone analogs, a currently narrow spectrum class of antibacterials active only against Gram-pos. bacteria. In this series, we have explored the effectiveness for improving Gram-neg. activity by identifying and combining beneficial structural modifications in the C-ring region. We have found polar and/or charge-carrying modifications that, when combined in hybrid C-ring analogs, appear to largely overcome the efflux and/or permeability barriers, resulting in improved Gram-neg. activity. In particular, those analogs least effected by efflux and the permeation barrier had significant zwitterionic character.

ACS Infectious Diseases published new progress about Antibiotics. 870997-85-6 belongs to class pyridine-derivatives, and the molecular formula is C6H5BrN2O2, COA of Formula: C6H5BrN2O2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Yakhontov, L. N.; Portnov, M. A.; Azimov, V. A.; Lapan, E. I. published the artcile< Derivatives of azaindoles. XXXII. Comparative study of azaindole ionization constants by applying correlation methods>, Application In Synthesis of 23612-36-4, the main research area is azaindoles ionization; ionization azaindoles; pyrrolopyridines; pyridines pyrrolo.

The pKa values were determined exptl. of the following 1-(R-substituted)-3-(R1-substituted)-4-azaindoles (I), 1-(R-substituted)-3-(R1-substituted)-5-azaindoles (II), and 1-(R-substituted)-4-(R1-substituted)-6-(R2-substituted)-5-azaindolines (III) (compound, and R, R1, or R, R1, and R2 given): I, H, H; I, H, Br; I, H, Cl; I, H, NO2; I, H, CH2CO2Et; I, H, CH2CONH2; I, Ac, H; I, Ac, Br; I, Ac, NHAc; I, H, CH2NMe2; I, H, (4-azaindol-3-yl)-methyl; II, H, H; II, Ph, H; II, H, Br; II, H, NO2; III, H, H, H; III, Ph, H, H; III, Ph, OH, H; III, Ph, Cl, H; III, H, Cl, H; III, H, Cl, Cl; III, PhCH2, OH, H; III, PhCH2, Cl, H. Correlations were obtained between pKa and Taft ionization constants

Zhurnal Organicheskoi Khimii published new progress about Ionization. 23612-36-4 belongs to class pyridine-derivatives, and the molecular formula is C7H5BrN2, Application In Synthesis of 23612-36-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Budweg, Svenja; Junge, Kathrin; Beller, Matthias published the artcile< Transfer-dehydrogenation of secondary alcohols catalyzed by manganese NNN-pincer complexes>, SDS of cas: 350-03-8, the main research area is manganese pincer complex preparation crystal structure; secondary alc manganese pincer complex catalyst transfer dehydrogenation; ketone preparation.

Novel catalytic systems based on pentacarbonylmanganese bromide and stable NNN-pincer ligands were presented for the transfer-dehydrogenation of secondary alcs. to gave the corresponding ketones in good to excellent isolated yields. Best results were obtained using di-picolylamine derivatives as ligands and acetone as an inexpensive hydrogen acceptor. Besides high activity for benzylic substrates, aliphatic alcs., as well as steroid derivatives, were readily oxidized in the presence of the optimal phosphorus-free catalyst.

Chemical Communications (Cambridge, United Kingdom) published new progress about Crystal structure. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, SDS of cas: 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bubnov, Michael P.; Teplova, Irina A.; Cherkasova, Anna V.; Baranov, Evgenii V.; Fukin, Georgy K.; Romanenko, Galina V.; Bogomyakov, Artem S.; Starikov, Andrey G.; Cherkasov, Vladimir K.; Abakumov, Gleb A. published the artcile< Metal-ligand ferromagnetic exchange interactions in heteroligand bis-o-semiquinonato nickel complexes with 2,2'-dipyridine and 1,10-phenanthroline>, COA of Formula: C10H8N2, the main research area is nickel semiquinonate complex preparation ferromagnetic exchange; optimized mol structure nickel semiquinonate complex; crystal structure nickel semiquinonate complex.

Novel bis-o-semiquinonato nickel complexes (2,2′-bpy)Ni(3,6-DBSQ)2 (1) and (1,10-phen)Ni(3,6-DBSQ)2 (2) was synthesized (2,2′-bpy is 2,2′-dipyridine; 1,10-phen is 1,10-phenanthroline; 3,6-DBSQ is anion-radical of 3,6-tert-butyl-o-benzoquinone). Single crystal x-ray diffraction study indicated distorted octahedral environment of nickel atom in both complexes. Variable temperature magnetic susceptibility measurement detected predomination of ferromagnetic exchange interactions between high spin nickel ion and anion-radicals of o-semiquinones. DFT calculations are in a good agreement with exptl. structural and magnetic results.

Polyhedron published new progress about Crystal structure. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, COA of Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chai, Huifang; Zeng, Xiaoping; Teng, Minggang; Duan, Lian published the artcile< Synthesis of 2, 3-dichloro-5-iodopyridine>, Quality Control of 13472-84-9, the main research area is dichloro iodopyridine synthesis.

In the paper, we introduced a approach to synthesize the title compound, was realized and manufactured from 2, 3-dichloropyridine via four steps. Its structure was verified by MS and 1H NMR. This synthetic route has the advantages of convenient operation and mild reaction conditions. The total product yield was 51%. This program is suitable for industrial production

Guangdong Huagong published new progress about Chlorination. 13472-84-9 belongs to class pyridine-derivatives, and the molecular formula is C6H6ClNO, Quality Control of 13472-84-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kaur, Gurpreet; Garg, Preeti; Kaur, Baljinder; Chaudhary, Ganga Ram; Kumar, Sandeep; Dilbaghi, Neeraj; Hassan, P. A.; Aswal, V. K. published the artcile< Synthesis, thermal and surface activity of cationic single chain metal hybrid surfactants and their interaction with microbes and proteins>, Related Products of 123-03-5, the main research area is microbe protein metal hybrid surfactant cationic chain surface activity.

A series of water-soluble metal functionalized surfactants have been prepared using com. available surfactant cetyl pyridinium chloride and transition metal salts. These complexes were characterized in the solid state by elemental anal., FTIR, 1H NMR and thermogravimetric anal. The interfacial surface activity and aggregation behavior of the metallosurfactants were analyzed through conductivity, surface tension and small angle neutron scattering measurements. Our results show that the presence of metal ions as co-ions along with counter ions favors micellization at a low critical micellization concentration (CMC). Small angle neutron scattering revealed that the metallomicelles are of a prolate ellipsoidal shape and exhibit strong counterion binding. This article further describes the interaction of the metallosurfactants with transport protein Bovine Serum Albumin (BSA) using different spectroscopic techniques. A spectroscopic study was used to study the binding, interaction and quenching mechanism of BSA with the metallosurfactants. Gel electrophoresis (SDS-PAGE) and CD (CD) investigated the structural and conformational changes produced in BSA due to the metallosurfactants. The results indicate that there is an alteration in the secondary structure of BSA due to the electrostatic interaction between pos. head groups and metal co-ions of the metallosurfactants and neg. charged amino acids of BSA. As the concentration increases, the α-helicity of BSA decreases and all the three studied metallosurfactants gave comparable results. Finally, the in vitro cytotoxicity and antimicrobial activity of the metallosurfactants were evaluated against erythrocytes and microorganisms, which showed prominent effects related to the presence of a metal ion in metallomicelles of the hybrid surfactants.

Soft Matter published new progress about Antimicrobial agents. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Related Products of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ebrahimi, Ali; Schwartzman, Julia; Cordero, Otto X. published the artcile< Multicellular behaviour enables cooperation in microbial cell aggregates>, Name: 1-Hexadecylpyridin-1-ium chloride, the main research area is Vibrio multicellular behavior cell aggregation; alginate; microbial aggregate; self-organization; trait-based model.

Oligosaccharides produced from the extracellular hydrolysis of biol. materials can act as common goods that promote cooperative growth in microbial populations, whereby cell-cell aggregation increases both the per capita availability of resources and the per-cell growth rate. We built a computational model, which predicts cooperation is restricted in dense cell aggregates larger than 10μm because of the emergence of polymer and oligomer counter gradients. We compared these predictions to experiments performed with two well-studied alginate-degrading strains of Vibrio splendidus, which varied in their ability to secrete alginate lyase. We observed that both strains can form large aggregates (less than 50μm), overcoming diffusion limitation by rearranging their internal structure. The stronger enzyme producer grew non-cooperatively and formed aggregates with internal channels that allowed exchange between the bulk environment and the aggregate, whereas the weak enzyme producer showed strongly cooperative growth and formed dense aggregates in which cells near the core mixed by active swimming. Our simulations suggest that the mixing and channelling reduce diffusion limitation and allow cells to uniformly grow in aggregates. Together, these data demonstrate that bacterial behavior can help overcome competition imposed by resource gradients within cell aggregates. This article is part of a discussion meeting issue ‘Single cell ecol.’.

Philosophical Transactions of the Royal Society, B: Biological Sciences published new progress about Cell aggregation. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Name: 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem