Day: October 12, 2022

Li, Ze; Li, Wenwei; Lu, Maolin; Bess, Julian Jr; Chao, Cara W.; Gorman, Jason; Terry, Daniel S.; Zhang, Baoshan; Zhou, Tongqing; Blanchard, Scott C.; Kwong, Peter D.; Lifson, Jeffrey D.; Mothes, Walther; Liu, Jun published the artcile< Subnanometer structures of HIV-1 envelope trimers on aldrithiol-2-inactivated virus particles>, Formula: C10H8N2, the main research area is .

Abstract: The HIV-1 envelope glycoprotein (Env) trimer, composed of gp120 and gp41 subunits, mediates viral entry into cells. Recombinant Env trimers have been studied structurally, but characterization of Env embedded in intact virus membranes has been limited to low resolution Here, we deploy cryo-electron tomog. and subtomogram averaging to determine the structures of Env trimers on aldrithiol-2 (AT-2)-inactivated virions in ligand-free, antibody-bound and CD4-bound forms at subnanometer resolution Tomog. reconstructions document mol. features consistent with high-resolution structures of engineered soluble and detergent-solubilized Env trimers. One of three conformational states previously predicted by smFRET was not observed by cryo-ET, potentially owing to AT-2 inactivation. We did observe Env trimers to open in situ in response to CD4 binding, with an outward movement of gp120-variable loops and an extension of a critical gp41 helix. Overall features of Env trimer embedded in AT-2-treated virions appear well-represented by current engineered trimers.

Nature Structural & Molecular Biology published new progress about 366-18-7. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mohammad Arshad published the artcile< Design, Drug-Likeness, Synthesis, Characterization, Antimicrobial Activity, Molecular Docking, and MTT Assessment of 1,3-Thiazolidin-4-one Bearing Piperonal and Pyrimidine Moieties>, Category: pyridine-derivatives, the main research area is thiazolidinone piperonal pyrimidine moiety antimicrobial activity mol docking.

The recent study reported the designing of substituted 3-[4-(1,3-benzodioxol-5-yl)-6-(pyridin-2-yl)pyrimidin-2-yl]-2-(pyridin-2-yl)-1,3-thiazolidin-4-one derivatives and assessed computationally to calculate the bioactivity and physicochem. properties. The substituted 3-[4-(1,3-benzodioxol-5-yl)-6-(pyridin-2-yl)pyrimidin-2-yl]-2-(pyridin-2-yl)-1,3-thiazolidin-4-one derivatives represented the bioactivity score in the zone for an active drug mol. and were in compliance with the Lipinski Rule of five. Then the synthesis, characterization, and biol. screening as antimicrobial potential and percent viability of cells were carried out for the substituted 3-[4-(1,3-benzodioxol-5-yl)-6-(pyridin-2-yl)pyrimidin-2-yl]-2-(pyridin-2-yl)-1,3-thiazolidin-4-one derivatives The zone of inhibition and min. inhibitory concentration (MIC) findings portrayed that the compounds-(IV) and compound-(V) possessed better antimicrobial activity than the reference drug ciprofloxacin, while the significant antimicrobial potential was observed by other members of the series. The mol. docking studies were performed to assist the in vitro antimicrobial results and the findings exhibited that significant H-bonding in between the substituted 3-[4-(1,3-benzodioxol-5-yl)-6-(pyridin-2-yl)pyrimidin-2-yl]-2-(pyridin-2-yl)-1,3-thiazolidin-4-one derivatives and the residues of GlcN-6-P-synthase, like ASP 474 (I-IX), SER 316 (I-VI), ASN 522 (I-IX), TRP 313 (V) with good binding affinity ranging -7.7 to -6.8 kcal/mol. The compounds represented the less toxic effects to the HepG2 cells and the percent viability of the cells ranging from 93-98%, 73-78% and 70-76% up to 3.125, 50, 100 mmol/L resp.

Russian Journal of Bioorganic Chemistry published new progress about Antimicrobial agents. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gaudino, Danila; Costanzo, Salvatore; Ianniruberto, Giovanni; Grizzuti, Nino; Pasquino, Rossana published the artcile< Linear wormlike micelles behave similarly to entangled linear polymers in fast shear flows>, Related Products of 123-03-5, the main research area is linear wormlike micelle polymer shear flow.

We report shear startup data on solutions of entangled linear wormlike micelles, only differing in the concentration of a binding aromatic salt. Wormlike micelles behave similarly to ordinary polymers in fast shear flows, exhibiting pronounced overshoots as well as tiny undershoots in transient shear viscosity, before approaching the steady state. The analogy is here emphasized by successfully comparing data with predictions of a constitutive equation recently adopted for ordinary entangled polymers. In the fast shear flow, entangled linear wormlike micelles appear to align, stretch, and tumble just like polymeric chains.

Journal of Rheology (Melville, NY, United States) published new progress about Polymers, linear. 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

D’Andrade, Brian W.; Datta, Shubhashish; Forrest, Stephen R.; Djurovich, Peter; Polikarpov, Eugene; Thompson, Mark E. published the artcile< Relationship between the ionization and oxidation potentials of molecular organic semiconductors>, Recommanded Product: Ir(p-F-ppy)3, the main research area is oxidation potential mol organic semiconductor HOMO.

A relation between the energy of the HOMO and the oxidation potential of mol. organic semiconductors is presented. Approximating mols. as dipoles consisting of a pos. charged ion core surrounded by an electron cloud, the HOMO energy (EHOMO) is calculated as that required to sep. these opposite charges in a neutral organic thin film. Also, an anal. of image charge forces on spherical mols. positioned near a conductive plane formed by the electrode in an electrochem. cell is shown to explain the observed linear relation between EHOMO and the oxidation potential. The EHOMO’s of a number of organic semiconductors commonly employed in thin film electronic devices were determined by UPS, and compared to the relative oxidation potential (VCV) measured using pulsed cyclic voltammetry, leading to the relation EHOMO = -(1.4 ± 0.1) × (qV CV) – (4.6 ± 0.08) eV, consistent with theor. predictions.

Organic Electronics published new progress about Cyclic voltammetry. 370878-69-6 belongs to class pyridine-derivatives, and the molecular formula is C33H21F3IrN3, Recommanded Product: Ir(p-F-ppy)3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chen, Hongtai; Yang, Yanyan; Wang, Lianxin; Niu, Yuxiang; Guo, Minjie; Ren, Xiangwei; Zhao, Wentao; Tang, Xiangyang; Wang, Guangwei published the artcile< Slicing and Splicing of Bromodifluoro-N-arylacetamides: Dearomatization and Difunctionalization of Pyridines>, Computed Properties of 22961-45-1, the main research area is copper catalyzed dearomatization functionalization pyridine bromodifluoroarylacetamide; fluoromethyl iminodihydropyridine synthesis.

Copper-catalyzed dearomatization and difunctionalization of pyridines have been disclosed, in which bromodifluoro-N-arylacetamide was sliced into five fragments and three or four of them were transferred to pyridine partners. Through this reaction, novel N-difluoromethyl-2-imine dihydropyridine derivatives can be conveniently accessed from com. available 4-amino substituted pyridines. This strategy demonstrates a novel fluorination method featuring high atom economy, environmental friendliness, an easily available catalyst, and simple operation.

Organic Letters published new progress about Acetamides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 22961-45-1 belongs to class pyridine-derivatives, and the molecular formula is C11H10N2, Computed Properties of 22961-45-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Chao; Rui, Xiyan; Si, Dongjuan; Dai, Rupeng; Zhu, Yueyue; Wen, Hongmei; Li, Wei; Liu, Jian published the artcile< Copper-Catalyzed Three-Component Cascade Reaction of Benzaldehyde with Benzylamine and Hydroxylamine or Aniline: Synthesis of 1,2,4-Oxadiazoles and Quinazolines>, Quality Control of 3731-53-1, the main research area is aryl aldehyde aromatic amine copper catalyst tandem cyclization; biaryl oxadiazole preparation green chem; benzaldehyde benzylamine copper catalyst tandem cyclization green chem; diphenyl quinazoline preparation.

The analogous three-component synthesis strategy for substituted 1,2,4-oxadiazoles and quinazolines derivatives from readily available benzaldehydes, benzylamines and hydroxylamine or anilines was developed. Both the cascade reaction sequences involved nucleophilic addition of C-N bond, introduction a halogen donor, nucleophilic substitution and Cu(II)-catalyzed aerobic oxidation This synthesis methodol. demonstrated good yields, broad substrate scope and oxygen as a green oxidant. Thus, this synthesis protocol provided strategies for the construction of substituted 1,2,4-oxadiazole and quinazolines from readily and simple starting materials.

Advanced Synthesis & Catalysis published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Quality Control of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Timmer, Niels; Gore, David; Sanders, David; Gouin, Todd; Droge, Steven T. J. published the artcile< Sorbent-modified biodegradation studies of the biocidal cationic surfactant cetylpyridinium chloride>, Application of C21H38ClN, the main research area is cetylpyridinium chloride biocidal cationic surfactant sorbent modified biodegradation; Bioaccessibility; Cationic surfactant; Cetylpyridinium chloride; Environmental risk assessment; Ready biodegradability testing; Toxicity mitigation.

Biodegradability studies for the cationic surfactant cetylpyridinium chloride (CPC) are hampered by inhibitory effects on inoculum at prescribed test concentrations (10-20 mg organic carbon/L). In this study, we used 14C labeled CPC in the 28 d Headspace Test (OECD 310) and demonstrated that CPC was readily biodegradable (10->60% mineralization within a 10 day window) at test concentrations 0.006-0.3 mg/L with CPC as single substrate. Biodegradation efficiency was comparable over this concentration range. CPC inhibited degradation at 1 mg/L and completely suppressed inoculum activity at 3 mg/L. In an extensive sorbent modified biodegradation study we evaluated the balance between CPC bioaccessibility and toxicity. A non-inhibitory concentration of 0.1 mg/L CPC was readily biodegradable with 83% sorbed to SiO2, while biodegradation was slower when 96% was sorbed. SiO2 mitigated inhibitory effects of 1 mg/L CPC, reaching >60% biodegradation within 28 d; inhibitory effects were also mitigated by addition of com. clay powder (illite) but this was primarily reflected by a reduced lag phase. At 10 mg/L CPC SiO2 was still able to mitigate inhibitory effects, but bioaccessibility seemed limited as only 20% biodegradation was reached. Illite limited bioaccessibility more strongly and was not able to sustain biodegradation at 10 mg/L CPC.

Ecotoxicology and Environmental Safety published new progress about Bioavailability. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Application of C21H38ClN.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Christopher Maumela, Munaka published the artcile< Palladium-catalyzed borylation of aryl bromides and chlorides using phosphatrioxa-adamantane ligands>, Computed Properties of 329214-79-1, the main research area is palladium catalyst borylation aryl bromide chloride phosphatrioxa adamantane; aryl boronate ester preparation.

Catalysts based on the combination of Pd(OAc)2 and the electron-deficient phosphatrioxa-adamantane ligands are described for borylation of aryl bromides and chlorides. Catalytic evaluation of a small library of phosphatrioxa-adamantane ligands provided some insights on the preferred ligand steric profile for borylation reactions. The corresponding aryl boronate esters were accessed under mild conditions (25-70°) and isolated in high yields (up to 96%).

Tetrahedron Letters published new progress about Adamantanes Role: CAT (Catalyst Use), USES (Uses) (phosphatrioxa-). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Computed Properties of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Dong; Jiang, Yuanyang; Dong, Linru; Li, Gaoyu; Sun, Baoying; Desaubry, Laurent; Yu, Peng published the artcile< One-Pot Selective Saturation and Functionalization of Heteroaromatics Leading to Dihydropyridines and Dihydroquinolines>, Related Products of 93-60-7, the main research area is pyridine one pot regioselective dearomatization bond formation; dihydropyridine preparation; quinoline one pot regioselective dearomatization bond formation; dihydroquinoline preparation.

A one-pot regioselective two C-C-bond-forming dearomatization of pyridines and quinolines is disclosed. Two 3,4-betaines are identified for the first time as very useful organic synthons in heterocyclic chem. Furthermore, the chem. reactivity of the prepared trifluoromethyl ketones, a new type of push-pull enones, has been explored to develop straightforward methods for their functionalization. This protocol represents a breakthrough in the dearomatization of heteroaromatics as both the selective saturation and functionalization of heteroaromatics are achieved in high efficiency by the attachment of two substituents, including the valuable trifluoromethyl ketone group.

Journal of Organic Chemistry published new progress about C-C bond formation. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Related Products of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem