Month: October 2022

Safety of 2,2-Methylenebis(6-tert-butyl-p-cresol)《Identification of novel inhibitors of angiotensin-converting enzyme 2 (ACE-2) receptor from Urtica dioica to combat coronavirus disease 2019 (COVID-19)》 was published in 2021. The authors were Upreti, Shobha;Prusty, Jyoti Sankar;Pandey, Satish Chandra;Kumar, Awanish;Samant, Mukesh, and the article was included in《Molecular Diversity》. The author mentioned the following in the article:

Abstract: The pandemic outbreak of coronavirus (SARS-CoV-2) is rapidly spreading across the globe, so the development of anti-SARS-CoV-2 agents is urgently needed. Angiotensin-converting enzyme 2 (ACE-2), a human receptor that facilitates entry of SARS-CoV-2, serves as a prominent target for drug discovery. In the present study, we have applied the bioinformatics approach for screening of a series of bioactive chem. compounds from Himalayan stinging nettle (Urtica dioica) as potent inhibitors of ACE-2 receptor (PDB ID: 1R4L). The mol. docking was applied to dock a set of representative compounds within the active site region of target receptor protein using 0.8 version of the PyRx virtual screen tool and analyzed by using discovery studio visualizer. Based on the highest binding affinity, 23 compounds were short-listed as a lead mol. using mol. docking anal. Among them, β-sitosterol was found with the highest binding affinity – 12.2 kcal/mol and stable interactions with the amino acid residues present on the active site of the ACE-2 receptor. Similarly, luteoxanthin and violaxanthin followed by rutin also displayed stronger binding efficiency. We propose these compounds as potential lead candidates for the development of target-specific therapeutic drugs against COVID-19.2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) were involved in the experimental procedure.

Safety of 2,2-Methylenebis(6-tert-butyl-p-cresol)2,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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Zhu, Zhaodong;Gong, Yuxin;Tong, Weiqi;Xue, Weichao;Gong, Hegui published 《Ni-Catalyzed Cross-Electrophile Coupling of Aryl Triflates with Thiocarbonates via C-O/C-O Bond Cleavage》 in 2021. The article was appeared in 《Organic Letters》. They have made some progress in their research.COA of Formula: C15H16O The article mentions the following:

A synthesis of aryl thioesters RCOSR¹ (R = Ph, 4-MeO₂CC₆H₄, 4-BnOC₆H₄, etc.; R¹ = n-hexyl, cyclohexyl, cyclopentyl, etc.) via nickel-catalyzed reductive coupling of aryl triflates with thiocarbonates was reported. Both electron-rich and -deficient aryl C(sp²)-O electrophiles as well as a class of O-tBu S-alkyl thiocarbonates were compatible with the optimized reaction conditions as evidenced by 49 examples. The reaction also proceeded with good chemoselective cleavage of the C-O bond with regard to thioesters. This work broadened the scope of nickel-catalyzed reductive cross-electrophile coupling reactions. And 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) was used in the research process.

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.COA of Formula: C15H16O 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Reference of 4-tert-Amylphenol《QSAR study on toxicities of alcohol and phenol compounds》 was published in 2016. The authors were Deng, Xiaolong;Chen, Yuan;Tan, Siqiao;Yuan, Zheming, and the article was included in《Huanjing Kexue Xuebao》. The author mentioned the following in the article:

The toxicities and features of compounds were generally presented as a non-linear relationship. The compound mol. descriptors calculated by the quantum chem. methods contained numerous irrelevant and redundant features. Although widely used, the current version of minimal redundancy maximal relevance (mRMR) feature selection method was not applicable for continuous dependent variable and the measurement of relevance and redundancy was incomparable. For quant. structure-activity relationship (QSAR), both dependent variables (toxicities) and independent variables (mol. descriptors) were usually continuous. Therefore, we used distance correlation (dCor) to replace Pearson correlation coefficient (R) to solve the measurement comparability between relevance and redundancy, and developed a new feature selection method named mRMR-dCor by combining mRMR with dCor in this work. Based on the inhouse feature selection method and support vector regression (SVR), the independent prediction results of three phenolic and alc. compounds datasets indicated that mRMR-dCor was superior to other reference feature selection methods in the prediction performance, with Q² of 0.954, 0.941 and 0.981, resp. Most of mol. descriptors selected by mRMR-dCor were also reported in previous literatures. Therefore, mRMR-dCor had broad application prospects in various domains such as QSAR and quant. structure-pharmacokinetics relationship. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Reference of 4-tert-Amylphenol

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Silva, Lidia Gaudencio Ribeiro;Costa, Elizangela Pinheiro;Starling, Maria Clara Vieira Martins;dos Santos Azevedo, Taiza;Bottrel, Sue Ellen Costa;Pereira, Renata Oliveira;Sanson, Ananda Lima;Afonso, Robson Jose Cassia Franco;Amorim, Camila C. published 《LED irradiated photo-Fenton for the removal of estrogenic activity and endocrine disruptors from wastewater treatment plant effluent》 in 2021. The article was appeared in 《Environmental Science and Pollution Research》. They have made some progress in their research.Electric Literature of C14H22O The article mentions the following:

The goal of this work was to evaluate the performance of the LED irradiated photo-Fenton process on the removal of (i) estrogenic activity and (ii) seven endocrine disruptors (EDs) (4-octylphenol, 4-nonylphenol, bisphenol A, estrone, 17β-estradiol, 17α-ethinylestradiol, and estriol) from real wastewater treatment plant effluent (WWTPE). EDs are a group of contaminants of emerging concern present in WWTPE and which may be recognized by hormone receptors, thus harming animal and human health. The yeast estrogenic screen test (YES) was used to quantify estrogenic activity promoted by EDs in WWTPE samples before and after photo-Fenton treatment. Tests were performed following a factorial design with different iron (20, 40, and 60 mg L-1) and hydrogen peroxide (100, 200, and 300 mg L-1) concentrations in a laboratory scale LED photoreactor (λ = 455 nm, 1.5 L, 1.6 x 10-6 Einstein s-1). EDs were analyzed by gas chromatog. coupled to a mass spectrometer. Control experiments consisted of Fenton process, iron only, LED irradiation only, and H2O2 only. Optimum exptl. conditions for LED photo-Fenton resulted in 62% removal of estrogenic activity and 59% mineralization. In addition, treated WWTPE was not toxic to Aliivibrio fischeri and more than 80% of EDs were removed during LED irradiated photo-Fenton. Although Fenton process showed similar efficiency to that obtained by LED photo-Fenton, a higher volume of sludge was generated in the dark. Finally, results obtained in this study confirm the applicability of LED irradiated photo-Fenton process for improving the quality of WWTPE as an alternative to solar photo-Fenton in case solar radiation is not available, thus reducing hazards associated to WWTPE reuse or discharge. And 4-tert-Octylphenol (cas: 140-66-9) was used in the research process.

4-tert-Octylphenol(cas: 140-66-9) is a common environmental pollutant showing weak estrogenic effects.Electric Literature of C14H22O It has been shown to cause harm to vertebrate male reproductive systems.

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Bag, Raghunath;Sar, Dinabandhu;Punniyamurthy, Tharmalingam published 《Aerobic Metal-Free Dioxygenation of Alkenes with tert-Butyl Nitrite and N-Hydroxylamines》 in 2017. The article was appeared in 《ACS Omega》. They have made some progress in their research.Formula: C14H14O2 The article mentions the following:

Metal-free dioxygenation of alkenes with tert-Bu nitrite and N-hydroxylamines (NHPI, HOBt and NHSI) is described to produce β-aminoxy nitrate esters using air as the oxidant. These organic nitrates can be readily converted into 1,2-diols and 1,2-diketone with broad substrate scope and functional group diversity. And rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) was used in the research process.

Desymmetrization of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas:579-43-1 Formula: C14H14O2) using chiral phosphine catalyst has been reported. Conversion of meso-hydrobenzoin to trans-stillbene oxide by treatment with an aryl sulfonyl chloride and aqueous sodium hydroxide has been reported.

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HPLC of Formula: 599-64-4《Effectively enhanced photodegradation of Bisphenol A by in-situ g-C₃N₄-Zn/Bi₂WO₆ heterojunctions and mechanism study》 was published in 2020. The authors were Ruan, Xian;Hu, Yongyou, and the article was included in《Chemosphere》. The author mentioned the following in the article:

In our work, a series of in-situ g-C₃N₄-Zn/Bi₂WO₆ heterojunctions were synthesized by a two-step solvothermal method followed with calcination process, using dicyanamide as the precursor for g-C₃N₄. C₃N₄-Zn/BWO heterojunctions were of gossypine shape, and both C₃N₄ and Zn were finely distributed into BWO nanosheets, forming a hierarchical structure. C₃N₄-Zn/BWO with 2.0 g of precursor addition and calcined at 520°C exhibited effectively enhanced photodegradation for typical organic contaminant BPA, degrading 93% within 120 min, and implied a maximum rate constant k of 0.0211 min^-1, indicating synergistic effect of C₃N₄ and Zn components in C₃N₄-Zn/BWO heterojunction. The enhancement of photocatalysis was due to quick carriers’ separations via Z-scheme system and enlarged sp. surface area of as-synthesized C₃N₄-Zn/BWO heterojunction. Main reactive oxidation species were detected to be h⁺ and ·O^–2, and nine intermediates were confirmed via anlysis of LC-MS/MS. This study provided an alternative strategy to design novel photocatalysts containing multicomponents for higher photocatalytic activity. The experimental procedure involved many compounds, such as 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.HPLC of Formula: 599-64-4 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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HPLC of Formula: 110-03-2《Cyclization of alkanediols in high-temperature liquid water with high-pressure carbon dioxide》 was published in 2012. The authors were Yamaguchi, Aritomo;Hiyoshi, Norihito;Sato, Osamu;Shirai, Masayuki, and the article was included in《Catalysis Today》. The author mentioned the following in the article:

Dehydration of 1,4-butanediol to THF, 2R,5R-hexanediol to 2,5-dimethyltetrahydrofuran, and 2,5-dimethyl-2,5-hexanediol to 2,2,5,5-tetramethyltetrahydrofuran proceeded in high-temperature liquid water at 523 K. The formation rates of cyclic ethers were enhanced by high-pressure carbon dioxide (16.2 MPa). The order of dehydration rates in high-temperature water with carbon dioxide was tertiary > secondary > primary alc., which was the same order as the stability of corresponding carbocation species. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane. It is also used in the synthesis of six- and seven-membered heterocyclic boron compounds.HPLC of Formula: 110-03-2

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Product Details of 110-03-2In 2012, Siebert, Joerg Max;Baier, Grit;Landfester, Katharina published 《Thermal and acid labile polyurethanes as a new class of responsive materials in polymeric nanoparticles and nanocapsules》. 《Journal of Polymer Science, Part A: Polymer Chemistry》published the findings. The article contains the following contents:

A new class of polyurethanes has been designed, containing tertiary carbamate groups in the main chain of the polymer, which enable the resulting polymer to degrade completely under acid and thermal treatment. The decomposition temperatures of the polymers were determined by measuring the evolution of carbon dioxide and other decomposition products using TGA-MS. Until decomposition of the polymer, no glass transition was found. The polymers exhibit excellent solubility in common organic solvents like chloroform and THF, making them to suitable materials for film formation. From the obtained polymers, nanoparticles were synthesized by the solvent evaporation method combined with the miniemulsion technique. The resulting nanoparticles can be used as intelligent fillers in films and sensors, since they degrade at temperatures of above 180°, which can be detected by a color change reaction with ninhydrin. Polymeric nanocapsules were prepared by an interfacial polyaddition reaction from 2,4-toluene diisocyanate and tertiary diols performed at the droplet’s interface in inverse (water-in-oil) miniemulsions. These nanocapsules with an encapsulated photoacid generator can act as a release system, whereby an acidic release through irradiation with UV light can be triggered. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011. And 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) was used in the research process.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond.Product Details of 110-03-2

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Safety of 2,2-Methylenebis(6-tert-butyl-p-cresol)In 2021, Hayeemasae, Nabil;Ismail, Hanafi published 《Application of silane-treated tea waste powder as a potential filler for natural rubber composites》. 《BioResources》published the findings. The article contains the following contents:

The aim of this work was to develop sustainable composites based on natural rubber (NR) and tea waste (TW) composites. The main concern was the compatibility mismatch between NR and TW. The presence of polar groups in the TW contributes to the weak interaction between relatively hydrophobic NR and TW. Therefore, silane coupling agent was introduced to enhance the properties of the composites. Treating the TW by silane coupling agent greatly influenced the overall properties of the composites. It speeded up the curing process due to its ability to reduce possible adsorption of accelerator by TW. Better interaction between TW and rubber matrix was clearly observed as evidenced by the maximum torque (M_H) and tensile properties of the composites. Such findings can be verified by the Q_f/Q_g values, indicating better rubber-filler interaction when silane was used. Moreover, scanning electron microscope (SEM) images also provided some evidence related to the tensile properties observed It can be concluded that the new composite based on NR and TW was successfully prepared with the contribution of a silane coupling agent. And 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) was used in the research process.

Safety of 2,2-Methylenebis(6-tert-butyl-p-cresol)2,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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Related Products of 80-46-6《Study on capillary GC fingerprint of Guominxing Biyan Granules》 was published in 2016. The authors were Hu, Jun-hua;Ren, Ji-hua;Wang, Xue;Li, Jia-chun;Huang, Wen-zhe;Wang, Zhen-zhong;Xiao, Wei, and the article was included in《Zhongcaoyao》. The author mentioned the following in the article:

Objective To establish the capillary GC fingerprint of Guominxing Biyan Granules and give a new method for quality control. Methods The capillary GC was used. The ingredients of common peaks were analyzed by FID and MS. The HP-5 Ph Me Siloxane (30 m×0.32 mm, 0.25 μm) was used for capillary column. The chromatog. conditions were as follows: the temperature of inlet was 200 degree C in splitless sampling, the detector temperature was 250 degree C, the column initial temperature was 50 degree C, 3 degree C/min rose to 140 degree C, keeping 2 min and 10 degree C/min rose to 200 degree C, keeping 2 min. Results Capillary GC fingerprint of volatile oil in Allergic Rhinitis Particles was established. Twelve peaks were selected as the fingerprint peaks of Allergic Rhinitis Particles. The ingredients of common peaks were designated by GC-MS. The similarity between the fingerprint of 10 batches of Allergic Rhinitis Particles Samples were 0.90. Conclusion The established capillary GC fingerprint has desirable precision, reproducibility, and stability, and can be applied to the quality control of Guominxing Biyan Granules.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Related Products of 80-46-6

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