Month: October 2022

Zhang, Lei; Morey, Amit; Bilgili, Sacit F.; McKee, Shelly R.; Garner, Laura J. published the artcile< Effectiveness of several antimicrobials and the effect of contact time in reducing Salmonella and Campylobacter on poultry drumsticks>, Quality Control of 123-03-5, the main research area is poultry drumstick Salmonella Campylobacter antimicrobial effect contact time.

Salmonella and Campylobacter are the two pathogens commonly associated with raw poultry meat, as poultry products are frequent vehicles of these bacteria. The objective of the current research was to determine the optimal contact time for 6 antimicrobial treatments, including water, 0.003% chlorine, 0.07% peracetic acid (PAA), 0.1% PAA, 0.35% cetylpyridinium chloride (CPC), and 0.6% CPC. Drumsticks (n = 192) were inoculated with Salmonella Typhimurium and Campylobacter jejuni, and allowing some bacterial attachment time, drumsticks were treated with the 6 antimicrobials mentioned above for 10, 20, and 30 s contact time. The recoveries of Salmonella Typhimurium and Campylobacter jejuni were determined after plating. The results of this study indicated the antimicrobial effect on reducing Salmonella and Campylobacter on poultry parts, and the impact of contact time on the efficacy. This could be a guide for industrial application of which antimicrobial to use and how to control the contact time.

Journal of Applied Poultry Research published new progress about Campylobacter jejuni Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Quality Control of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Lingxiao; Liu, Xueyan; Xu, Jianhong; Kan, Chengyou published the artcile< Microfluidic preparation of thiol-containing monodisperse polymer microspheres and their adsorption of Pb2+ in water>, SDS of cas: 2127-03-9, the main research area is microfluidic thiol group micronscale polymer microsphere lead ion adsorption.

A novel polymerizable monomer containing carbon-carbon double bond and disulfide bond, 2-(((2-(pyridin-2-yldisulfanyl)ethoxy)carbonyl)amino) Et acrylate (PDSECAE), was first designed and synthesized, and then used to prepare thiol-containing monodisperse polymer microspheres with different sizes from 20 μm to 500 μm by means of microfluidic technique, UV-induced polymerization and dithiothreitol reduction in sequence. The chem. structures of PDSECAE and the microspheres were confirmed by NMR, FTIR and RAMAN, and the thiol content was determined by UV-vis spectrophotometer. Having the largest sp. surface area, microspheres of 20.0 μm in diameter were utilized in adsorption of Pb2+ in water, and the maximum adsorption capacity reached 104.4 mg/g at pH 6.0 and 25 °C. After the adsorbed Pb2+ was removed by EDTA disodium salt, the regenerated thiol-containing microspheres could be reused and their adsorption capacity still remained 85% of its initial value after 5 recycles. Efficient adsorption performance and easy reusability make the thiol-containing polymer microspheres show promising applications to adsorption of heavy metal ions.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Adsorbents. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, SDS of cas: 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Tao; Luan, Yu-Xin; Lam, Nelson Y. S.; Li, Jiang-Fei; Li, Yue; Ye, Mengchun; Yu, Jin-Quan published the artcile< A directive Ni catalyst overrides conventional site selectivity in pyridine C-H alkenylation>, Safety of 3-(Methoxycarbonyl)pyridine, the main research area is alkenylated pyridine preparation; alkyne pyridine alkenylation heterocyclic carbene ligated nickel aluminum catalyst.

Herein, application of bifunctional N-heterocyclic carbene-ligated Ni-Al catalyst in C3-H alkenylation of pyridines was described. This method overrode the intrinsic C2 and/or C4 selectivity, and provided a series of C3-alkenylated pyridines such as I in 43-99% yields and up to 98:2 C3 selectivity. This method not only allowed a variety of pyridine and heteroarene substrates to be used as the limiting reagent, but was also effective for the late-stage C3 alkenylation of diverse complex pyridine motifs in bioactive mols.

Nature Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Safety of 3-(Methoxycarbonyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Decker, Katherine T.; Gao, Ye; Rychel, Kevin; Al Bulushi, Tahani; Chauhan, Siddharth M.; Kim, Donghyuk; Cho, Byung-Kwan; Palsson, Bernhard O. published the artcile< proChIPdb: a chromatin immunoprecipitation database for prokaryotic organisms>, HPLC of Formula: 366-18-7, the main research area is Escherichia proChIPdb prokaryotic organisms transcription factors nucleotides regulons.

The transcriptional regulatory network in prokaryotes controls global gene expression mostly through transcription factors (TFs), which are DNA-binding proteins. Chromatin immunoprecipitation (ChIP) with DNA sequencing methods can identify TF binding sites across the genome, providing a bottom-up, mechanistic understanding of how gene expression is regulated. ChIP provides indispensable evidence toward the goal of acquiring a comprehensive understanding of cellular adaptation and regulation, including condition-specificity. ChIP-derived data’s importance and labor-intensiveness motivate its broad dissemination and reuse, which is currently an unmet need in the prokaryotic domain. To fill this gap, we present proChIPdb, an information-rich, interactive web database. This website collects public ChIP-seq/-exo data across several prokaryotes and presents them in dashboards that include curated binding sites, nucleotide-resolution genome viewers, and summary plots such as motif enrichment sequence logos. Users can search for TFs of interest or their target genes, download all data, dashboards, and visuals, and follow external links to understand regulons through biol. databases and the literature. This initial release of proChIPdb covers diverse organisms, including most major TFs of Escherichia coli, and can be expanded to support regulon discovery across the prokaryotic domain.

Nucleic Acids Research published new progress about Chromatin. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pan, Xiaolin; Wang, Hao; Li, Cuiyu; Zhang, John Z. H.; Ji, Changge published the artcile< MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network>, Related Products of 350-03-8, the main research area is web server MolGpka small mol pKa prediction neural network.

PKa is an important property in the lead optimization process since the charge state of a mol. in physiol. pH plays a critical role in its biol. activity, solubility, membrane permeability, metabolism, and toxicity. Accurate and fast estimation of small mol. pKa is vital during the drug discovery process. We present MolGpKa, a web server for pKa prediction using a graph-convolutional neural network model. The model works by learning pKa related chem. patterns automatically and building reliable predictors with learned features. ACD/pKa data for 1.6 million compounds from the ChEMBL database was used for model training. We found that the performance of the model is better than machine learning models built with human-engineered fingerprints. Detailed anal. shows that the substitution effect on pKa is well learned by the model. MolGpKa is a handy tool for the rapid estimation of pKa during the ligand design process. The MolGpKa server is freely available to researchers and can be accessed at https://xundrug.cn/molgpka.

Journal of Chemical Information and Modeling published new progress about Aliphatic acids Role: PRP (Properties), THU (Therapeutic Use), BIOL (Biological Study), USES (Uses). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mentana, Annalisa; Camele, Ippolito; Mang, Stefania M.; De Benedetto, Giuseppe E.; Frisullo, Salvatore; Centonze, Diego published the artcile< Volatolomics approach by HS-SPME-GC-MS and multivariate analysis to discriminate olive tree varieties infected by Xylella fastidiosa>, Synthetic Route of 93-60-7, the main research area is HSSPME GCMS multivariate analysis volatile olive tree Xylella infection; HS-SPME-GC-MS; Xylella fastidiosa; multivariate analysis; olive tree; volatiles.

Xylella fastidiosa (Xf) is a pathogenic bacterium that causes diseases in olive trees. Therefore, anal. methods for both the characterization of the host/pathogen interaction and infection monitoring are needed. Volatile organic compounds (VOCs) are emitted by plants relate to their physiol. state, therefore VOCs monitoring can assist in detecting stress or infection states before visible signs are present. In this work, the headspace-solid phase microextraction-gaschromatog.-mass spectrometry (HS-SPME-GC-MS) technique was used for the first time to highlight VOCs differences between healthy and Xf-infected olive trees. VOCs from olive tree twig samples were extracted and analyzed by HS-SPME-GC-MS, and hence identified by comparing the exptl. linear retention indexes with the reference values and by MS data obtained from NIST library. Data were processed by principal component anal. (PCA) and anal. of variance (ANOVA). The HS-SPME step was optimized in terms of adsorbent phase and extraction time. HS-SPME-GC-MS technique was applied to the extraction and anal. of VOCs of healthy and Xf-infected olive trees. More than 100 compounds were identified and the differences between samples were evidenced by the multivariate anal. approach. The results showed the marked presence of Me esters in Xf-infected samples, suggesting their probable involvement in the mechanism of diffusible signal factor. The proposed approach represents an easy and solvent-free method to evaluate the presence of Xf in olive trees, and to evidence volatiles produced by host/pathogen interactions that could be involved in the defensive mechanism of the olive tree and/or in the infective action of Xf.

Phytochemical Analysis published new progress about Acids Role: ANT (Analyte), ANST (Analytical Study). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Synthetic Route of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Anderson, Enyia R.; Patterson, Edward I.; Richards, Siobhan; Pitol, Ana K.; Edwards, Thomas; Wooding, Dominic; Buist, Kate; Green, Alison; Mukherjee, Sayandip; Hoptroff, Michael; Hughes, Grant L. published the artcile< CPC-containing oral rinses inactivate SARS-CoV-2 variants and are active in the presence of human saliva>, Safety of 1-Hexadecylpyridin-1-ium chloride, the main research area is cetyl pyridinium chloride oral saliva mouthwashe SARS CoV2; COVID-19; SARS-CoV-2; mouthwash; oral hygiene; saliva.

The importance of human saliva in aerosol-based transmission of SARS-CoV-2 is now widely recognized. However, little is known about the efficacy of virucidal mouthwash formulations against emergent SARS-CoV-2 variants of concern and in the presence of saliva. Mouthwashes containing virucidal actives will have similar inactivation effects against multiple SARS-CoV-2 variants of concern and will retain efficacy in the presence of human saliva. To examine in vitro efficacy of mouthwash formulations to inactivate SARS-CoV-2 variants. Inactivation of SARS-CoV-2 variants by mouthwash formulations in the presence or absence of human saliva was assayed using ASTM International Standard E1052-20 methodol. Appropriately formulated mouthwashes containing 0.07% cetylpyridinium chloride but not 0.2% chlorhexidine completely inactivated SARS-CoV-2 (USA-WA1/2020, Alpha, Beta, Gamma, Delta) up to the limit of detection in suspension assays. Tests using USA-WA1/2020 indicates that efficacy is maintained in the presence of human saliva. Together these data suggest cetylpyridinium chloride-based mouthwashes are effective at inactivating SARS-CoV-2 variants. This indicates potential to reduce viral load in the oral cavity and mitigate transmission via salivary aerosols.

Journal of Medical Microbiology published new progress about Aerosols. 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

Facelli, Julio C.; Orendt, Anita M.; Contreras, Ruben H.; Tufro, Maria F.; De Kowalewski, Dora G. published the artcile< Ab initio and oxygen-17 NMR studies of the substituent effects on the tautomeric equilibrium in 6-X-(1H)-2-pyridones>, SDS of cas: 73018-09-4, the main research area is keto enol tautomerism pyridone substituent effect; oxygen NMR pyridone tautomerism.

17O chem. shifts are found to be highly sensitive probes in the study of keto-enol tautomeric equilibrium due to the strong sensitivity of these shifts to the coordination of the oxygen atom. The large shielding effect observed, both exptl. and theor., for the carbonyl oxygen atom in 2-pyridone suggests that the carbonyl π-electronic system experiences strong conjugation with the formal C3:C4 double bond and/or the nitrogen lone pair. A Cl or NH2 substitution at position 6 of the pyridine ring shifts the tautomeric equilibrium toward the 2-hydroxypyridine form, while a CH3 substitution results in the keto form being predominant, as is the case in the parent compound

Journal of Physical Chemistry published new progress about Conjugation (bond). 73018-09-4 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, SDS of cas: 73018-09-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hachey, Austin C.; Havrylyuk, Dmytro; Glazer, Edith C. published the artcile< Biological activities of polypyridyl-type ligands: implications for bioinorganic chemistry and light-activated metal complexes>, Reference of 366-18-7, the main research area is ligand polypyridyl phenanthroline bioinorganic chem metal complex; 1,10-Phenanthroline; Chemotherapy; Copper; Iron; Ligand; Natural products; Polypyridyl; Ruthenium.

Polypyridyl coordinating ligands are common in metal complexes used in medicinal inorganic chem. These ligands possess intrinsic cytotoxicity, but detailed data on this phenomenon are sparse, and cytotoxicity values vary widely and are often irreproducible. To provide new insights into the biol. effects of bipyridyl-type ligands and structurally related metal-binding systems, reports of free ligand cytotoxicity were reviewed. The cytotoxicity of 25 derivatives of 2,2-bipyridine and 1,10-phenanthroline demonstrates that there is no correlation between IC50 values and ligand properties such as pKa, log D, polarizability volume, and electron d., as indicated by NMR shifts. As a result of these observations, as well as the various reported mechanisms of action of polypyridyl ligands, we offer the hypothesis that biol. effects are governed by the availability of and affinity for specific metal ions within the exptl. model.

Current Opinion in Chemical Biology published new progress about Bioinorganic chemistry. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Reference of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hilton, Margaret J.; Xu, Li-Ping; Norrby, Per-Ola; Wu, Yun-Dong; Wiest, Olaf; Sigman, Matthew S. published the artcile< Investigating the Nature of Palladium Chain-Walking in the Enantioselective Redox-Relay Heck Reaction of Alkenyl Alcohols>, Formula: C13H15F3N2O, the main research area is alkene palladium catalysis redox relay Heck arylation alkenylalc M06.

The mechanism of the redox-relay Heck reaction was investigated using deuterium-labeled substrates. Results support a pathway through a low energy palladium-alkyl intermediate that immediately precedes product formation, ruling out a tautomerization mechanism. DFT calculations of the relevant transition structures at the M06/LAN2DZ+f/6-31+G* level of theory show that the former pathway is favored by 5.8 kcal/mol. Palladium chain-walking toward the alc., following successive β-hydride eliminations and migratory insertions, is also supported in this study. The stereochem. of deuterium labels is determined, lending support that the catalyst remains bound to the substrate during the relay process and that both cis- and trans-alkenes form from β-hydride elimination.

Journal of Organic Chemistry published new progress about Cyclization. 1416819-91-4 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Formula: C13H15F3N2O.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem