Month: October 2022

Sun, Xianwei; Admane, Prasad; Starosolski, Zbigniew A.; Eriksen, Jason L.; Annapragada, Ananth V.; Tanifum, Eric A. published the artcile< 1-Indanone and 1,3-indandione Derivatives as Ligands for Misfolded α-Synuclein Aggregates>, Formula: C11H16BNO2, the main research area is Parkinson Alzheimer disease brain alpha synuclein SAR indandione; α-synuclein flurescent probes; α-synuclein imaging probes; α-synuclein ligands; α-synuclein selective molecules.

The development of imaging agents for in vivo detection of alpha-synuclein (α-syn) pathologies faces several challenges. A major gap in the field is the lack of diverse mol. scaffolds with high affinity and selectivity to α-syn fibrils for in vitro screening assays. Better in vitro scaffolds can instruct the discovery of better in vivo agents. We report the rational design, synthesis, and in vitro evaluation of a series of novel 1-indanone and 1,3-indandione derivatives from a Structure-Activity Relationship (SAR) study centered on some existing α-syn fibril binding ligands. Our results from fibril saturation binding experiments show that two of the lead candidates compounds 8 and 32 bind α-syn fibrils with binding constants (Kd) of 9.0 and 18.8 nM, resp., and selectivity of greater than 10x for α-syn fibrils compared with amyloid-β (Aβ) and tau fibrils. Our results demonstrate that the lead ligands avidly label all forms of α-syn on PD brain tissue sections, but only the dense core of senile plaques in AD brain tissue, resp. These results are corroborated by ligand-antibody colocalization data from Syn211, which shows immunoreactivity toward all forms of α-syn aggregates, and Syn303, which displays preferential reactivity toward mature Lewy pathol. Our results reveal that 1-indanone derivatives have desirable properties for the biol. evaluation of α-synucleinopathies.

ChemMedChem published new progress about Alzheimer disease. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Formula: C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Abdul Rub, Malik; Alabbasi, Abdulrahman; Azum, Naved; Asiri, Abdullah M. published the artcile< Aggregation and surface phenomena of amitriptyline hydrochloride and cationic benzethonium chloride surfactant mixture in different media>, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride, the main research area is amitriptyline hydrochloride benzethonium chloride surface phenomena aggregation.

Mixed association behavior of cationic nature of drug amitriptyline hydrochloride (AMHCl) and surfactant benzethonium chloride (BTC) have been studied at five mole fractions of BTC (α1) via surface tension (ST) and fluorescence methods at 298.15 K in occurrence of three dissimilar media (H2O, electrolyte (NaCl), urea (UR)) to evaluate the interactions present amongst them. The evaluated values of critical micelle concentration (cmc) come out beneath the values of cmcid (ideal cmc value) demonstrating attractive interactions amongst the studied constituents (AMHCl and BTC) within mixed micelles. Electrolyte decreases the cmc value of the system while the effect of UR is found to increase in cmc. The micellar mole fraction of BTC (XR1) analyzed by the Rubingh model in solution mixture, mole fraction at mixed monolayer (Xσ1) determined by Rosen model and argued in detail. The interaction parameter in the solution mixture (βRb) and at the interfacial surface (βσ) is constantly achieved neg. in the entire cases. Activity coefficients of the mixed micellar system (fRb1 (BTC) and fRb2 (AMHCl)) and mixed monolayer (fσ1 (BTC) and fσ2 (AMHCl)) were forever less than one telling the nonideal behavior of systems. Various surface parameters have been estimated along with various thermodn. parameters have also been assessed.

Journal of Molecular Liquids published new progress about Aggregation. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Lin; Zhang, Ling; Chen, Qian; Li, Linlin; Jiang, Jian; Sun, Hao; Zhao, Chong; Yang, Yuanyong; Li, Chun published the artcile< Cinchona-Alkaloid-Derived NNP Ligand for Iridium-Catalyzed Asymmetric Hydrogenation of Ketones>, Application of C7H7NO, the main research area is cinchona alkaloid based NNP ligand catalyst preparation DFT; chiral secondary alc enantioselective preparation; ketone hydrogenation iridium cinchona alkaloid based NNP ligand.

Herein, a series of novel and easily accessed cinchona-alkaloid-based NNP ligands I [R = cyclohexyl, Ph, 2-MeOC6H4, etc.; R1 = H, MeO] was developed in two steps. By combining [Ir(COD)Cl]2, 39 ketones including aromatic, heteroaryl, and alkyl ketones were hydrogenated, all affording valuable chiral secondary alcs. with 96.0-99.9% ee. A plausible reaction mechanism was discussed by NMR, HRMS, DFT and an activating model involving trihydride was verified.

Organic Letters published new progress about Cinchona alkaloids Role: CAT (Catalyst Use), PRP (Properties), SPN (Synthetic Preparation), USES (Uses), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application of C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dalal, Anuj; Nehra, Kapeesha; Hooda, Anjli; Singh, Devender; Jakhar, Komal; Kumar, Sumit published the artcile< Preparation and photoluminescent characteristics of green Tb(III) complexes with β-diketones and N donor auxiliary ligands>, Product Details of C10H8N2, the main research area is terbium benzoylacetophenone bipyridine complex preparation band gap electrochem; Thermal stability color terbium benzoylacetophenone bipyridine.

This paper presents four octa coordinated ternary terbium complexes based on 2-benzoylacetophenone (BAP) and other auxiliary ligands. For characterization purpose, elemental anal., electrochem. study, thermal anal. and spectroscopic investigations were carried out in detail. Optical band gap (3-4 eV) of complexes was determined from Tauc’s relation. Upon excitation in UV region, emission spectra of complexes demonstrate peaks of Tb3+ ion at ∼616 nm, 589 nm, 548 nm, and 492 nm, attributed to 5D4 → 7FJ (J = 3 to 6) resp. due to energy transfer from ligand to Tb(III) ion via antenna effect. Peak at 548 nm corresponding to 5D4 → 7F5 is responsible for bright green emission of synthesized terbium complexes. CIE color coordinates and color purity further corroborate the green emission of Tb3+ complexes. The complexes were found to be quite stable as studied by thermal anal. The outcomes of characterizations have demonstrated that these complexes could behave as good contenders in lighting systems and displays owing to their photometric characteristics.

Inorganic Chemistry Communications published new progress about Color. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Product Details of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Penning, Miriam; Christoffers, Jens published the artcile< Synthesis of Regioisomeric Pyrido[c]azocanones from Azaindanone Derivatives>, Recommanded Product: Methyl 3-bromo-2-pyridinecarboxylate, the main research area is pyridoazocanone regioisomer preparation.

A ring enlargement reaction with methylamine gave new pyrido[2,3-c]-, pyrido[3,4-c]- and pyrido[3,2-c]azocanone derivatives from cyclic β-oxo esters with a cyclopentapyridine skeleton and a 1,4-diketone moiety. The starting materials for this ring transformation were either prepared from halogenopyridine carboxylates by Heck reaction and subsequent hydrogenation, or (halogenomethyl)pyridine carboxylates were submitted to SN reaction with di-Et malonate. Both routes were completed by Dieckmann condensation to build the cyclic β-oxo ester structure and alkylation with phenacylbromide to install the 1,4-diketone motif.

European Journal of Organic Chemistry published new progress about Heterocyclic compounds, nitrogen Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 53636-56-9 belongs to class pyridine-derivatives, and the molecular formula is C7H6BrNO2, Recommanded Product: Methyl 3-bromo-2-pyridinecarboxylate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Junlei; Hou, Baoshan; Xiang, Jun; Chen, Xuedong; Gu, Tingyue; Liu, Hongfang published the artcile< The performance and mechanism of bifunctional biocide sodium pyrithione against sulfate reducing bacteria in X80 carbon steel corrosion>, Quality Control of 3811-73-2, the main research area is sulfate reducing bacteria corrosion carbon steel sodium pyrithione inhibitor.

Anti-bacterial and anti-corrosion properties of sodium pyrithione (SPT) were studied using exptl. methods and quantum chem. calculations SPT at 80 mg/L reduced planktonic and sessile sulfate reducing bacteria (SRB) on X80 carbon steel to undetectable levels. The corrosion inhibition efficiency of SPT against microbiol. influenced corrosion exceeded 80% based on weight loss, which was corroborated by electrochem. data. Mol. modeling showed that SPT mol. provided electrons to the unoccupied orbitals of the Fe surface with a large binding energy of SPT on the Fe (1 1 0) plane, which favored SPT adsorption on the carbon steel.

Corrosion Science published new progress about Adsorption. 3811-73-2 belongs to class pyridine-derivatives, and the molecular formula is C5H4NNaOS, Quality Control of 3811-73-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chaudhari, Chandan; Sato, Katsutoshi; Ogura, Yuta; Miayahara, Shin-Ichiro; Nagaoka, Katsutoshi published the artcile< Pr2O3 Supported Nano-layered Ruthenium Catalyzed Acceptorless Dehydrogenative Synthesis of 2-Substituted Quinolines and 1,8-Naphthyridines from 2-Aminoaryl Alcohols and Ketones>, Formula: C7H7NO, the main research area is quinoline naphthyridine preparation; aminoaryl alc ketone dehydrogenation ruthenium nanocatalyst.

Pr2O3 supported Ru nanolayers and Ru nanoparticles catalysts were examined for the synthesis of quinolines I (R = Me, Ph, pyridin-3-yl, etc.; R1 = H, Me; RR1 = -(CH2)4-). The Ru nanolayer was most active catalyst and showed a broad substrate scope. Structure-activity relationship demonstrated that the metallic state and morphol. of Ru as well as the basic site of Pr2O3 were indispensable factors of this catalytic system.

ChemCatChem published new progress about Amino alcohols Role: RCT (Reactant), RACT (Reactant or Reagent) (aryl). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Formula: C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kaushik, Pradeep; Kaur, Gurpreet; Chaudhary, Ganga Ram; Batra, Uma published the artcile< Tuning the surface using palladium based metallosurfactant for hydrogen evolution reaction>, Safety of 1-Hexadecylpyridin-1-ium chloride, the main research area is electrolysis catalyst palladium cetylpyridinium chloride hydrogen evolution; Contact angle measurements; Electrocatalyst; Hydrogen evolution reaction; Metallosurfactant.

Synthesis of a novel electrocatalyst for hydrogen evolution reaction (HER) is highly demanding for renewable energy production This research reports the design and development of novel palladium based metallosurfactant (PdCPC(I)) that belongs to the unique class of inorganic-organic hybrid with striking structural features that are explored for the first time in the HER. The formation of the micelle, mol. orientation and surface characteristics of the metallosurfactant are calculated by conductivity and contact angle measurements. The reduction of palladium in metallomicelles during electrolysis accelerates the HER. Metallosurfactant makes the substrate hydrophilic, which in turn enhances the activity of the modified substrate. The 269 mV and 400 mV (vs. RHE) overpotential is required to achieve the 10 mA cm-2 of c.d. for PdCPC(I) and CPC, resp. Tafel slope of PdCPC(I) is 57 mV dec-1, which signifies that the reaction follows the Volmer- Heyrovsky mechanism in the presence of catalyst. The presence of the palladium in the core of the micelle is certified by ICPMS study. The present electrocatalyst also demonstrates 40 h of electrochem. durability. This work opens the doors toward the enhancement of HER, which fulfills the dreams for future energy resources.

Journal of Colloid and Interface Science published new progress about Contact angle. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Safety of 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zurlinden, Todd J.; Saili, Katerine S.; Rush, Nathaniel; Kothiya, Parth; Judson, Richard S.; Houck, Keith A.; Hunter, E. Sidney; Baker, Nancy C.; Palmer, Jessica A.; Thomas, Russell S.; Knudsen, Thomas B. published the artcile< Profiling the ToxCast library with a pluripotent human (H9) stem cell line-based biomarker assay for developmental toxicity>, SDS of cas: 3811-73-2, the main research area is toxcast library pluripotent human stem cell line development toxicity; developmental toxicity; embryonic stem cells; predictive toxicology.

The Stemina devTOX quickPredict platform is a human pluripotent stem cell-based assay that predicts the developmental toxicity potential based on changes in cellular metabolism following chem. exposure. Using this assay, we screened 1065 ToxCast phase I and II chems. in single-concentration or concentration-response for the targeted biomarker (ratio of ornithine to cystine secreted or consumed from the media). The dataset from the Stemina (STM) assay is annotated in the ToxCast portfolio as STM. Major findings from the anal. of ToxCast_STM dataset include (1) 19% of 1065 chems. yielded a prediction of developmental toxicity, (2) assay performance reached 79%-82% accuracy with high specificity (> 84%) but modest sensitivity (< 67%) when compared with in vivo animal models of human prenatal developmental toxicity, (3) sensitivity improved as more stringent weights of evidence requirements were applied to the animal studies, and (4) statistical anal. of the most potent chem. hits on specific biochem. targets in ToxCast revealed pos. and neg. associations with the STM response, providing insights into the mechanistic underpinnings of the targeted endpoint and its biol. domain. The results of this study will be useful to improving our ability to predict in vivo developmental toxicants based on in vitro data and in silico models. Toxicological Sciences published new progress about Analysis (toxicol.). 3811-73-2 belongs to class pyridine-derivatives, and the molecular formula is C5H4NNaOS, SDS of cas: 3811-73-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chen, Siyuan; Yang, Shanxiu; Wang, Hao; Niu, Yanning; Zhang, Zhang; Qian, Bo published the artcile< Continuous Flow Microreactor Promoted the Catalytic N -Oxidation Reaction of Pyridine Derivatives>, Reference of 93-60-7, the main research area is pyridine derivative catalytic oxidation continuous flow microreactor.

A simple continuous flow microreactor was successfully constructed for the N-oxidation of pyridine. The continuous flow microreactor used titanium silicalite (TS-1) in a packed-bed microreactor and H2O2 (in methanol as solvent) as the catalytic oxidation system for the formation of various pyridine N-oxides in up to 99% yields. This process is a safer, greener, and more highly efficiency process than using a batch reactor. The device was used for over 800 h of continuous operation with the catalyst maintaining great activity thus providing great potential for large-scale production

Synthesis published new progress about Flow reactors. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Reference of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem