Month: October 2022

Khatouri, M.; Lemaalem, M.; Ahfir, R.; El Khaoui, S.; Derouiche, A.; Filali, M. published the artcile< Sol/gel transition of oil/water microemulsions controlled by surface grafted triblock copolymer dodecyl-PEO227-dodecyl: molecular dynamics simulations with experimentally validated interaction potential>, Synthetic Route of 123-03-5, the main research area is soluble gel transition microemulsion copolymer mol dynamic simulation.

We studied a large range of identical spherical oil/water microemulsion (O/W-MI) volume fractions. The O/W-MIs are stabilized by cetylpyridinium chloride ionic surfactant (CpCl) and octanol cosurfactant and dispersed in salt water. We grafted different numbers of dodecyl-(polyEthylene oxide)227-dodecyl triblock copolymer that we note (n(D-PEO227-D)), where n varies from 0 to 12. We accomplished the grafting process by replacing a small amount of CpCl and octanol with the appropriate n(D-PEO227-D). The aim is to determine the interaction/structure relationship of the covered microemulsions. Precisely, we are interested in a quant. investigation of the influence of volume fraction Φ, temperature (T), and n(D-PEO227-D) on the microemulsion sol/gel transition. To this end, we first study the uncoated microemulsion structure depending only on Φ. Second, we determine the coated microemulsions structure as a function of n(D-PEO227-D) for different Φ. Third, we examine the effect of temperature on the uncoated and coated microemulsion. We show that the sol/gel transition is controlled by the three main parameters, Φ, T, and n(D-PEO227-D). Accordingly, the uncoated microemulsion sol/gel transition, at ambient temperature, occurred for Φ ≃ 33.65%. By increasing Φ, the O/W-MIs show a glass state, which occurs, along with the gel state, at Φ ≃ 37% and arises clearly at Φ ≃ 60%. The coated O/W-MI sol/gel transition is found to be linearly dependent on n(D-PEO227-D) and takes place for Φ ≃ 26.5% for n(D-PEO227-D) = 12. Ordinarily, the decrease in temperature leads to gel formation of microemulsions for low Φ. Addnl., in this work, we found that the gelation temperature increases linearly with n(D-PEO227-D). Thus, the parameter n(D-PEO227-D) can control the sol/gel transition of the O/W-MIs at ambient temperature and moderate Φ.

RSC Advances published new progress about Clusters. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Synthetic Route of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Runbin; Wei, Ming; Wang, Xuerong; Chen, Yushou; Xiong, Yanshi; Cheng, Jianxin; Tan, Yanhui; Liao, Xiangwen; Wang, Jintao published the artcile< Synthesis of ruthenium polypyridine complexes with benzyloxyl groups and their antibacterial activities against Staphylococcus aureus>, COA of Formula: C10H8N2, the main research area is Antibacterial activity; Antibacterial adjuvants; Biofilm; Membrane disruption; Ruthenium complex; Synergistic effect.

Four new ruthenium polypyridyl complexes, [Ru(bpy)2(BPIP)](PF6)2 (Ru(II)-1), [Ru(dtb)2(BPIP)](PF6)2 (Ru(II)-2), [Ru(dmb)2(BPIP)](PF6)2 (Ru(II)-3) and [Ru(dmob)2(BPIP)](PF6)2 (Ru(II)-4) (bpy = 2,2′-bipyridine, dtb = 4,4′-di-tert-butyl-2,2′-bipyridine, dmb = 4,4′-dimethyl-2,2′-bipyridine, dmob = 4,4′-dimethoxy-2,2′-bipyridine and BPIP = 2-(3,5-bis(benzyloxyl)phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline) had been synthesized and characterized. Their antimicrobial activities were investigated against Staphylococcus aureus (S. aureus) and four complexes showed obvious antibacterial effect, especially the min. inhibition concentration (MIC) value of Ru(II)-3 was only 4 μg/mL. In addition, Ru(II)-3 was able to kill bacteria quickly and inhibit the formation of biofilm. Meanwhile, the cooperative effect between Ru(II)-3 and general antibiotics were tested and the results showed that Ru(II)-3 could enhance the susceptibility of S. aureus to different types of antibiotics. Most importantly, Ru(II)-3 hardly showed cytotoxicity to mammalian erythrocytes both in homelysis experiment and G. mellonella model. After being injected with high doses of the Ru(II)-3in vivo, the G. mellonella worms still exhibited high survival rates. Finally, a mouse skin infection model and G. mellonella infection model was built to determine the antibacterial activity of Ru(II)-3in vivo. The antibacterial mechanism of Ru(II)-3 was probably related to the membrane-disruption. Taken together, ruthenium polypyridine complexes with benzyloxyl groups had the potential to develop an attractive and untraditional antibacterial agent with new mode of action.

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Xue; Wang, Yun; Li, Xiaoqing; Dai, Yejia; Wang, Qinghao; Wang, Guoyou; Liu, Depeng; Gu, Xuezhu; Yu, Dingrong; Ma, Yinlian; Zhang, Cun published the artcile< Treatment mechanism of Gardeniae fructus and its carbonized product against ethanol-induced gastric lesions in rats>, Reference of 93-60-7, the main research area is Gardeniae gastric lesions gastroprotective; Gardeniae Fructus; carbonized Gardeniae Fructus; ethanol-induced gastric lesion; gastroprotective; metabolomics; processed.

Gardeniae Fructus (GF) and carbonized GF (GFC) have been shown to exert a gastrointestinal protective effect and are frequently used in clin. practice for the treatment of hemorrhage and brown stool. In this study, we employed a combination of pharmacol. methods and metabolomics in a rat model of ethanol-induced acute stomach ulcer to investigate the gastroprotective effect of GF and GFC water extracts and the potential mechanism involved in this process. The levels of nitric oxide (NO) and interleukin 6 (IL-6) in the plasma of rats were determined The results showed that both GF and GFC reduced the ethanol-induced gastric lesions and expression of NO and IL-6 in these rats. Of note, 16 and 11 feature metabolites were filtered and identified in the GF and GFC groups, resp. Both GF and GFC act by restoring the biosynthesis of valine, leucine, and isoleucine, and the metabolism of glycerophospholipids. Moreover, histol. evaluation revealed that heat processing of GF to create GFC enhanced the gastric mucosa protective effect. Furthermore, heat processing converted the main pathway from alanine, aspartate, and glutamate metabolism, associated with GF, to histidine metabolism, associated with GFC. GF and GFC ameliorated gastric mucosa lesions in rats via reductions in NO production and inflammatory cytokine secretion, and the induction of prostaglandin E2.

Frontiers in Pharmacology published new progress about Biomarkers. 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

Skepper, Colin K.; Moreau, Robert J.; Appleton, Brent A.; Benton, Bret M.; Drumm, Joseph E.; Feng, Brian Y.; Geng, Mei; Hu, Cheng; Li, Cindy; Lingel, Andreas; Lu, Yipin; Mamo, Mulugeta; Mergo, Wosenu; Mostafavi, Mina; Rath, Christopher M.; Steffek, Micah; Takeoka, Kenneth T.; Uehara, Kyoko; Wang, Lisha; Wei, Jun-Rong; Xie, Lili; Xu, Wenjian; Zhang, Qiong; de Vicente, Javier published the artcile< Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity>, Category: pyridine-derivatives, the main research area is triazolopyrimidinone azabenzimidazole preparation phosphopantetheine adenylyltransferase inhibitor antibacteria Escherichia.

In the preceding manuscript the authors described a successful fragment-based lead discovery (FBLD) strategy for discovery of bacterial phosphopantetheine adenylyltransferase inhibitors (PPAT, CoaD). Following several rounds of optimization two promising lead compounds were identified: triazolopyrimidinone (I) and 4-azabenzimidazole (II). Here the authors disclose the efforts to further optimize these two leads for on-target potency and Gram-neg. cellular activity. Enabled by a robust x-ray crystallog. system, the authors’ structure-based inhibitor design approach delivered compounds with biochem. potencies 4-5 orders of magnitude greater than their resp. fragment starting points. Addnl. optimization was guided by observations on bacterial permeability and physicochem. properties, which ultimately led to the identification of PPAT inhibitors with cellular activity against wild-type E. coli.

Journal of Medicinal Chemistry published new progress about Antibacterial agents. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sepiol, Jadwiga; Tomasik, Piotr published the artcile< Syntheses with aromatic nitramines. VI. Substituent effect in the photolytic rearrangement of nitraminopyridines>, Application In Synthesis of 21901-29-1, the main research area is photochem rearrangement nitraminopyridine; aminonitropyridine; photolytic rearrangement nitraminopyridine; regiochem photochem rearrangement nitraminopyridine; substituent effect photochem rearrangement nitraminopyridine.

Isomeric 2-nitraminopyridines I (R = 3-Me, 4-Me, 5-Me, 6-Me, 3-NO2, 5-NO2, 5-Cl, 3-CO2H) as well as 3,5-dibromo-2-nitraminopyridine (II, R1 = NO2) rearranged on irradiation with a low pressure Hg lamp (253.7 nm) in MeOH. Preference was generally noted for the migration of the side-chain NO2 group to the vicinal β-position. II (R1 = NO2) gave both II (R1 = H) and the pyridone III. The ratio of the preparative and quantum yields of the two products were 2.5 and 3.0, resp.

Acta Chimica Hungarica published new progress about Photorearrangement. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Application In Synthesis of 21901-29-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong published the artcile< Photoredox-mediated remote C(sp3)-H heteroarylation of free alcohols>, Application of C7H7NO2, the main research area is alc heteroaryl preparation regioselective chemoselective; heteroarene aliphatic alc heteroarylation.

An efficient and economical method for remote δ C(sp3)-H heteroarylation of free aliphatic alcs., e.g., cyclobutaneethanol using a hypervalent iodine PFBI-OH oxidant under photoredox catalysis has been reported. The reaction sequence involves in situ alcoholysis of PFBI-OH with alc., generation of an alkoxy radical intermediate by SET reduction, 1,5-HAT, and Minisci-type C-C bond formation. This method uses a slight excess of alcs., can facilitate reaction at δ Me and methylene positions, and has been successfully applied to modification of complex drug mols.

Chemical Science published new progress about Alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Application of C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lougiakis, Nikolaos; Marakos, Panagiotis; Pouli, Nicole; Balzarini, Jan published the artcile< Synthesis and antiviral activity evaluation of some novel acyclic C-nucleosides [Erratum to document cited in CA149:402608]>, Quality Control of 22280-62-2, the main research area is erratum pyrazolopyridine acyclonucleoside preparation antiviral antitumor.

On page 775, in the author list, the third author, Nicole Pouli, was incorrectly given as “”Nicole Poul””.

Chemical & Pharmaceutical Bulletin published new progress about Acyclonucleosides Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Quality Control of 22280-62-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Bo; Bi, Xiuru; Zhou, Jinbo; Li, Changming; Zhao, Peiqing; Meng, Xu published the artcile< Synthesis of Crystalline OMS-2 with Urea Hydrogen Peroxide and its Application in Aerobic Oxidation Reactions>, Category: pyridine-derivatives, the main research area is cryptomelane type manganese oxide preparation pore size crystallinity recyclability; alkane manganese oxide catalyst selective oxidation; ketone preparation; thiol manganese oxide catalyst selective oxidation; disulfide preparation.

Cryptomelane-type manganese oxide (OMS-2) was synthesized successfully using urea hydrogen peroxide (urea.H2O2) as the reductant in an acidic buffer solution As-prepared crystalline material was fully characterized by X-ray diffraction (XRD), Brunauer-Emmett-Teller method (BET), XPS, SEM (SEM) and high resolution transition electron microscopy(HRTEM). The results demonstrate that OMS-2 has nanofiber with short nanorod morphologies, very rich oxygen vacancy defected and more exposed crystal facets compared with ones synthesized with other H2O2-containing reductants. These unique properties made nanostructural OMS-2 an excellent heterogeneous catalyst in aerobic oxidation reactions, such as selective oxidation of mercaptan and oxygenation of alkylarenes.

ChemistrySelect published new progress about Crystallinity. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Xu, Shenzhen; Carter, Emily A. published the artcile< Optimal functionalization of a molecular electrocatalyst for hydride transfer>, SDS of cas: 3796-23-4, the main research area is optimal functionalization mol electrocatalyst hydride transfer; carbon dioxide reduction; catalyst functionalization; hydride transfer.

Optimization of hydride transfer (HT) catalysts to enhance rates and selectivities of (photo)electroreduction reactions could be a crucial component of a sustainable chem. industry. Here, the authors analyze how ring functionalization of the adsorbed transient intermediate 2-pyridinide (2-PyH) and predicted to form in situ from pyridine (Py) in acidified H2O at a cathode surface and to be the key to selective reduction and enhanced catalytic activity. Reducing the electron d. on 2-PyH could limit this protonation, with the trade-off that it may become less active for HT from 2-PyH. The authors explore here how Py functionalization affects the electron distribution and in turn tunes the catalytic performance of 2-PyH*. The authors indeed find that electron-withdrawing groups could enhance the stability of 2-PyH by reducing its electron d. on the ring. Also, the change in the number of electrons on the substituting group of the hydride donor is a good descriptor for both the stability against protonation and the magnitude of the HT barrier. The authors studied the effect of substituent on the process.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Electrochemical reaction catalysts. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, SDS of cas: 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cai, Mingzhong; Luo, Chengkai; Xu, Caifeng; Huang, Bin published the artcile< Recyclable Pd2dba3/XPhos/PEG-2000 System for Efficient Borylation of Aryl Chlorides: Practical Access to Aryl Boronates>, Computed Properties of 329214-79-1, the main research area is green palladium xphos polyethylene glycol catalyst borylation aryl chloride; aryl boronate preparation green.

Pd2dba3/XPhos in poly(ethylene glycol) (PEG-2000) is shown to be a highly stable and efficient catalyst for the borylation of aryl chlorides with bis(pinacolato)diboron. The borylation reaction proceeds smoothly at 110°, delivering a wide variety of aryl boronates in good to excellent yields with high functional group tolerance. The crude products were easily isolated via simple extraction of the reaction mixture with cyclohexane. Moreover, both expensive Pd2dba3 and XPhos in PEG-2000 system could be readily recycled and reused more than six times without loss of catalytic efficiency.

Synthesis published new progress about Aryl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 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