Month: September 2022

Yin, Fubin;Dong, Hongmin;Zhang, Wanqin;Wang, Shunli;Cao, Qitao;Lian, Tianjing published 《Antibiotic removal potential for low greenhouse gas emission process of anaerobic digestion (AD) producing volatile fatty acids (VFAs)》. The research results were published in《Bioresource Technology》 in 2022.Synthetic Route of C10H9ClN4O2S The article conveys some information:

This study aimed to investigate the antibiotic of sulfachloropyridazine (SCP) reduction and its effects on volatile fatty acids (VFAs) accumulation and microbial community structures during the process of anaerobic digestion (AD) producing VFA. Results showed that initial SCP concentrations have a pos. correlation with reduction of SCP and accumulation of VFAs. The removal rates of SCP were 22.21%, 30.00%, 39.31% and 42.59% and the maximum production of VFAs were 3947, 6180, 6462 and 6032 mg/L for initial SCP concentrations of 25, 50, 75 and 100 mg/kg·TS, resp. SCP only altered bacterial composition by hastening growth of specific bacterial taxa, but didn’t increase bacterial α-diversity. To complete the study, the researchers used 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) .

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) is a sulfonamide antibiotic that is usually used as antibacterial anti-inflammatory drug, which has been applied in the treatment of acute urinary tract infections in childhood.Synthetic Route of C10H9ClN4O2SDue to its antibiotic activity, this chemical has been selected as an ingredient to prepare antibacterial composition.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Computed Properties of C10H9ClN4O2SIn 2022, Hu, Yabin;Li, Juan;Yuan, Tao;Yu, Tingting;Chen, Yao;Kong, Huijun;Lin, Cuilan;Shen, Zhemin;Tian, Ying;Tong, Shilu;Yu, Xiaodan;Liu, Shijian published 《Exposure to antibiotics and precocious puberty in children: A school-based cross-sectional study in China》. 《Environmental Research》published the findings. The article contains the following contents:

Foods and water can be contaminated with antibiotics in China, which may affect children′s health, but evidence on antibiotic exposure with precocious puberty (PP) is limited. This study explored the association of antibiotic exposure with PP in a school-based setting. A cross-sectional study with multistage stratified cluster random sampling was conducted in Zhongshan City, Guangdong Province and Qufu City, Shandong Province in China from Oct. 11 to Dec. 5, 2019. A first-morning urine sample was collected to detect antibiotic exposure. We detected 33 of 45 types of antibiotics from eight categories in 928 primary school children aged 6-12 years using HPLS-MS/MS. Detection rate of antibiotics was stratified by sex, study site, and BMI. The Tanner stages were assessed by professional pediatricians from local hospitals. PP is defined as the onset of secondary characters before 8-yr-old or menarche before 10-yr-old for girls and before 9-yr-old for boys. Multivariable logistic regression was performed to examine the association between antibiotic exposure and PP after adjusting potential confounders. The overall detection rate of antibiotics was 93.0% in 928 children. We found the detection rate of tetracyclines and fluoroquinolones in children with PP was significantly higher than that of children with normal puberty (41.4% vs 29.9%, 56.8% vs 50.6%, resp., all p < 0.05). Both fluoroquinolones (odds ratio (OR): 1.835, 95% confidence interval (CI): 1.066-3.158) and tetracyclines (OR: 2.120, 95% CI: 1.175-3.825) were associated with increased OR of PP after adjusting sex, age, BMI, study site, and family income. Specifically, compared to the values less than the limits of detection, low concentration of ofloxacin from fluoroquinolones (OR: 2.056, 95% CI: 1.091-3.875) and high concentration of chlortetracycline (OR: 3.027, 95% CI: 1.126-8.140) and tetracycline from tetracyclines (OR: 2.756, 95% CI: 1.167-6.506) were associated with increased OR of PP. Exposure to antibiotics, especially fluoroquinolones and tetracyclines was pos. associated with precocious puberty. And 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) was used in the research process.

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) is a sulfonamide antibiotic that is usually used as antibacterial anti-inflammatory drug, which has been applied in the treatment of acute urinary tract infections in childhood.Computed Properties of C10H9ClN4O2SDue to its antibiotic activity, this chemical has been selected as an ingredient to prepare antibacterial composition.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reference of 3-CyanopyridineIn 2021, Milic, Mira;Targos, Karina;Tellez Chavez, Magda;Thompson, Madison A. M.;Jennings, Julia J.;Franz, Annaliese K. published 《NMR Quantification of Hydrogen-Bond-Accepting Ability for Organic Molecules》. 《Journal of Organic Chemistry》published the findings. The article contains the following contents:

The hydrogen-bond-accepting abilities for more than 100 organic mols. are quantified using ¹⁹F and ³¹P NMR spectroscopy with pentafluorobenzoic acid (PFBA) and phenylphosphinic acid (PPA) as com. available, inexpensive probes. Anal. of pyridines and anilines with a variety of electronic modifications demonstrates that changes in NMR shifts can predict the secondary effects that contribute to H-bond-accepting ability, establishing the ability of PFBA and PPA binding to predict electronic trends. The H-bond-accepting abilities of various metal-chelating ligands and organocatalysts are also quantified. The measured Δδ(³¹P) and Δδ_p(¹⁹F) values correlate strongly with Hammett parameters, pK_a of the protonated HBA, and proton-transfer basicity (pK_BH+). And 3-Cyanopyridine (cas: 100-54-9) was used in the research process.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Reference of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

SDS of cas: 100-54-9In 2021, Kamiya, Yusuke;Omura, Asuka;Hayasaka, Riku;Saito, Rie;Sano, Izumi;Handa, Kentaro;Ohori, Junya;Kitajima, Masato;Shono, Fumiaki;Funatsu, Kimito;Yamazaki, Hiroshi published 《Prediction of permeability across intestinal cell monolayers for 219 disparate chemicals using in vitro experimental coefficients in a pH gradient system and in silico analyses by trivariate linear regressions and machine learning》. 《Biochemical Pharmacology (Amsterdam, Netherlands)》published the findings. The article contains the following contents:

For medicines, the apparent membrane permeability coefficients (Papp) across human colorectal carcinoma cell line (Caco-2) monolayers under a pH gradient generally correlate with the fraction absorbed after oral intake. Furthermore, the in vitro Papp values of 29 industrial chems. were found to have an inverse association with their reported no-observed effect levels for hepatotoxicity in rats. In the current study, we expanded our influx permeability predictions for the 90 previously investigated chems. to both influx and efflux permeability predictions for 207 diverse primary compounds, along with those for 23 secondary compounds Trivariate linear regression anal. found that the observed influx and efflux logPapp values determined by in vitro experiments significantly correlated with mol. weights and the octanol-water distribution coefficients at apical and basal pH levels (pH 6.0 and 7.4, resp.) (apical to basal, r = 0.76, n = 198; and basal to apical, r = 0.77, n = 202); the distribution coefficients were estimated in silico. Further, prediction accuracy was enhanced by applying a light gradient boosting machine learning system (LightGBM) to estimate influx and efflux logPapp values that incorporated 17 and 19 in silico chem. descriptors (r = 0.83-0.84, p < 0.001). The determination in vitro and/or prediction in silico of permeability coefficients across intestinal cell monolayers of a diverse range of industrial chems./food components/medicines could contribute to the safety evaluations of oral intakes of general chems. in humans. Such new alternative methods could also reduce the need for animal testing during toxicity assessment.3-Cyanopyridine (cas: 100-54-9) were involved in the experimental procedure.

3-Cyanopyridine(cas: 100-54-9) also shows biological activity against autoimmune diseases, such as murine hepatitis, by inhibiting the proliferation of B cells and T cells.SDS of cas: 100-54-9 This drug is not effective against cancer cells because it does not inhibit DNA synthesis or protein synthesis.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Safety of 3-CyanopyridineIn 2022, Lee, Jae Bin;Kim, Gun Ha;Jeon, Ji Hwan;Jeong, Seo Yeong;Lee, Soochan;Park, Jaehyun;Lee, Doyoung;Kwon, Youngkook;Seo, Jeong Kon;Chun, Joong-Hyun;Kang, Seok Ju;Choe, Wonyoung;Rohde, Jan-Uwe;Hong, Sung You published 《Rapid access to polycyclic N-heteroarenes from unactivated, simple azines via a base-promoted Minisci-type annulation》. 《Nature Communications》published the findings. The article contains the following contents:

Conventional synthetic methods to yield polycyclic heteroarenes have largely relied on metal-mediated arylation reactions requiring pre-functionalised substrates. However, the functionalization of unactivated azines has been restricted because of their intrinsic low reactivity. Herein, a transition-metal-free, radical relay π-extension approach to produce N-doped polycyclic aromatic compounds directly from simple azines and cyclic iodonium salts is reported. Mechanistic and ESR studies provide evidence for the in situ generation of organic electron donors, while chem. trapping and electrochem. experiments implicate an iodanyl radical intermediate serving as a formal biaryl radical equivalent This intermediate, formed by one-electron reduction of the cyclic iodonium salt, acts as the key intermediate driving the Minisci-type arylation reaction. The synthetic utility of this radical-based annulative π-extension method is highlighted by the preparation of an N-doped heptacyclic nanographene fragment through fourfold C-H arylation.3-Cyanopyridine (cas: 100-54-9) were involved in the experimental procedure.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Safety of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Related Products of 80-32-0《A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS》 was published in 2022. The authors were Sun, Feifei;Tan, Haiguang;Abdallah, Mohamed F.;Li, Yanshen;Zhou, Jinhui;Li, Yi;Yang, Shupeng, and the article was included in《Journal of Hazardous Materials》. The author mentioned the following in the article:

Preparation of calibration curves is a critical step for large-scale quantification. However, this procedure is time-consuming, labor intensive. Herein, a novel isotopologue multipoint calibration (IMC) strategy, was proposed and demonstrated for the simultaneous quantitation of 120 pesticides and 83 veterinary drugs in surface water samples using Liquid Chromatog.-High Resolution Mass Spectrometry (LC-HRMS). In this strategy, the natural isotopic distribution was used to generate external calibration curves, eliminating the need of analyst’s adjustment and many sets of chem. standard solutions required in external calibration curves. Addnl., this strategy was comprehensively validated, and the results indicated this strategy had better performance in both accuracy and precision, fully meeting the requirements for the quant. anal. Interestingly, for the samples with high concentration beyond the upper limit of quantitation, the IMC strategy could avoid samples dilution by monitoring the less abundant isotopic channels. Furthermore, the IMC method was successfully applied in the surface water samples collected from Anhui province, China. Among which, sulfamethoxazole and imidacoprid were the main contributors. In conclusion, we present a promising LC-HRMS strategy for the accurate quantitation of small mols., which has a potential application in food and environmental anal. The experimental procedure involved many compounds, such as 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) .

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) can be introduced in the drinking water to fabricate aqueous liquid formulations for combating bacterial and protozoal in animals.Related Products of 80-32-0 Besides, sulfachloropyridazine associated to tripelennamine hydrocholoride has been demonstrated to function as an anti-stress agent in poultry after vaccinations.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Lifan;Song, Xuyan;Qi, Mei-Fang;Sun, Bing published 《Weak Bronsted base-promoted photoredox catalysis for C-H alkylation of heteroarenes mediated by triplet excited diaryl ketone》. The research results were published in《Tetrahedron Letters》 in 2022.Application of 100-54-9 The article conveys some information:

A weak Bronsted base-promoted photoredox catalysis had been developed for the direct C-H α-alkylation of heteroarenes with cyclic and acyclic ethers. The high efficiency of this strategy was demonstrated by the mild reaction conditions, broad substrate scope, economical reagents and high regioselectivity. With air as the sole oxidant, a set of alkylated heteroarenes were accessed smoothly. This strategy was also applied for late-stage functionalization of valuable vitamin E nicotinate and loratadine.3-Cyanopyridine (cas: 100-54-9) were involved in the experimental procedure.

3-Cyanopyridine(cas: 100-54-9) also shows biological activity against autoimmune diseases, such as murine hepatitis, by inhibiting the proliferation of B cells and T cells.Application of 100-54-9 This drug is not effective against cancer cells because it does not inhibit DNA synthesis or protein synthesis.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reference of 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamideIn 2022, Zhu, Xinzhe;He, Mingjing;Sun, Yuqing;Xu, Zibo;Wan, Zhonghao;Hou, Deyi;Alessi, Daniel S.;Tsang, Daniel C. W. published 《Insights into the adsorption of pharmaceuticals and personal care products (PPCPs) on biochar and activated carbon with the aid of machine learning》. 《Journal of Hazardous Materials》published the findings. The article contains the following contents:

The science-informed design of green carbonaceous materials (e.g., biochar and activated carbon) with high removal capacity of recalcitrant organic contaminants (e.g., pharmaceuticals and personal care products (PPCPs)) is indispensable for promoting sustainable wastewater treatment. In this study, machine learning (ML) incorporating PPCPs and biochar properties as well as adsorption conditions were applied to build adsorption prediction models and explore the contributions of various biochars inherent properties to their PPCPs adsorption capacity. The results demonstrated that the models developed by detailed biochar properties (e.g., surface functionality and hierarchical porous structure) from advanced microscopic and spectroscopic techniques were more accurate (i.e., the root-mean-square error decreased by 18-24%) than those by general information such as bulk elemental composition and total pore volume The relative importance of surface carbon functionalities ranked in the order of C-O bond > C=O bond > non-polar carbon for predicting the adsorption capacity. According to the partial dependence anal., the average pore diameters of adsorbents that were larger than the maximum diameter of PPCPs mols. by 1.5-fold to 2.5-fold favored the PPCPs adsorption. This study reveals new insights into the adsorption of PPCPs and provides a comprehensive reference for the sustainable engineering of biochar adsorbents for PPCPs wastewater treatment. The experimental procedure involved many compounds, such as 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) .

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) is a sulfonamide antibiotic that is usually used as antibacterial anti-inflammatory drug, which has been applied in the treatment of acute urinary tract infections in childhood.Reference of 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamideDue to its antibiotic activity, this chemical has been selected as an ingredient to prepare antibacterial composition.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gezegen, Hayreddin;Guerdere, Meliha B.;Dincer, Ayseguel;Oezbek, Oguz;Kocyigit, Uemit M.;Taslimi, Parham;Tuezuen, Burak;Budak, Yakup;Ceylan, Mustafa published 《Synthesis, molecular docking, and biological activities of new cyanopyridine derivatives containing phenylurea》 in 2021. The article was appeared in 《Archiv der Pharmazie (Weinheim, Germany)》. They have made some progress in their research.Reference of 3-Cyanopyridine The article mentions the following:

A new class of cyanopyridine derivatives containing the phenylurea unit was synthesized and tested against some metabolic enzymes including acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α-glycosidase (α-Gly). The new cyanopyridine derivatives showed K_i values in the range of 40.73 ± 6.54 to 87.05 ± 16.98μM against AChE, 29.17 ± 4.88 to 124.03 ± 22.43μM against BChE, and 3.66 ± 0.93 to 26.33 ± 5.05μM against α-Gly. These inhibition effects were compared with standard enzyme inhibitors like tacrine (for AChE and BChE) and acarbose (for α-Gly). Also, these cyanopyridine derivatives with the best inhibition score were docked into the active site of the indicated metabolic enzymes. Finally, mol. docking calculations were made to compare the biol. activities of the compounds against AChE (-8.81 kcal/mol for mol. 11d, I), BChE (-3.52 kcal/mol for mol. 11d), and α-Gly (-2.98 kcal/mol for mol. 11a, II). After mol. docking calculations, the ADME/T anal. was performed to examine the future drug use properties of the new cyanopyridine derivatives containing phenylurea. And 3-Cyanopyridine (cas: 100-54-9) was used in the research process.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Reference of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem