Author: tianli

Yang, Hyeri;Kim, Da-eun;Jang, Won-Hee;An, Susun;Cho, Sun-A.;Jung, Mi-Sook;Lee, Ji Eun;Yeo, Kyung-Wook;Koh, Sang Bum;Jeong, Tae-Cheon;Kang, Mi-Jeong;Chun, Young-Jin;Lee, Su-Hyon;Lim, Kyung-Min;Bae, SeungJin published 《Prevalidation trial for a novel in vitro eye irritation test using the reconstructed human cornea-like epithelial model, MCTT HCE》 in 2017. The article was appeared in 《Toxicology In Vitro》. They have made some progress in their research.SDS of cas: 110-03-2 The article mentions the following:

Here, the authors report the results of a prevalidation trial for an in vitro eye irritation test (EIT) using the reconstructed human cornea-like epithelium, MCTT HCE. The optimal cutoff to determine irritation in the prediction model was established at 35% with the receiver operation characteristics(ROC) curve for 126 substances. Within-lab(WL) and between-lab(BL) reproducibility was tested for 20 reference substances by 3 participating laboratories Viability data described by mean or ± 1/2 difference between duplicate wells, and scatter plots, demonstrated the WL/BL consistency. WL/BL concordance with the binary decision, whether non-irritant or irritant was estimated to be 85-95% and 95%, resp. WL/BL reproducibility of viability data was further supported by a strong correlation(ICC, r >0.9). WL/BL agreement of binary decisions was also examined by Fleiss’ Kappa statistics, which showed a strong level of agreement (>0.78), nevertheless weaker than the reproducibility of the viability. The EIT with MCTT HCE exhibited a sensitivity of 82.2% (60/73), a specificity of 81.1% (43/53), and an accuracy of 81.8% (103/126) for 126 reference substances (for liquids; a sensitivity of 100% (47/47), a specificity of 70.6% (24/34), and an accuracy of 87.7% (71/81), and for solids, a sensitivity of 50% (13/26), a specificity of 100% (19/19), and an accuracy of 71.1% (32/45)), suggesting that the accuracy is satisfactory but the sensitivity needs improvement, which shall be addressed through correcting the poor sensitivity for solid substances in future full validation trials. 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.SDS of cas: 110-03-2

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Name: 4-(2-Phenylpropan-2-yl)phenolIn 2021, Yue, Wenlong;Yin, Chao-Fan;Sun, Limin;Zhang, Jie;Xu, Ying;Zhou, Ning-Yi published 《Biodegradation of bisphenol-A polycarbonate plastic by Pseudoxanthomonas sp. strain NyZ600》. 《Journal of Hazardous Materials》published the findings. The article contains the following contents:

Bisphenol-A polycarbonate (PC) is a widely used engineering thermoplastic and its release has caused damage to the ecosystem. Microbial degradation of plastic represents a sustainable approach for PC reduction In this study, a bacterial strain designated Pseudoxanthomonas sp. strain NyZ600 capable of degrading PC was isolated from activated sludge by using di-Ph carbonate as a surrogate substrate. Within a 30-day period of incubating with strain NyZ600, PC films were analyzed with at. force microscopy, scanning electron microscope, water contact angle, XPS, fourier transform IR spectroscopy, differential scan calorimeter and thermogravimetric anal. technique. The analyses results indicated that the treated PC films were bio-deteriorated and formed some “corrosion pits” on the PC film surface. In addition, strain NyZ600 performed broad depolymerization of PC indicated by the reduction of Mn from 23.55 to 16.75 kDa and Mw from 45.67 to 31.97 kDa and two degradation products bisphenol A and 4-cumylphenol (the two monomers of PC) were also found, which established that PC were biodegraded by strain NyZ600. Combing all above results, it is clear that the strain NyZ600 can degrade PC which provides a unique example for bacterial degradation of PC and a feasibility for the removal of PC waste.4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) were involved in the experimental procedure.

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Name: 4-(2-Phenylpropan-2-yl)phenol 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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Rotstein, Benjamin H.;Hooker, Jacob M.;Woo, Jiyeon;Collier, Thomas Lee;Brady, Thomas J.;Liang, Steven H.;Vasdev, Neil published 《Synthesis of [¹¹C]Bexarotene by Cu-Mediated [¹¹C]Carbon Dioxide Fixation and Preliminary PET Imaging》 in 2014. The article was appeared in 《ACS Medicinal Chemistry Letters》. They have made some progress in their research.Related Products of 110-03-2 The article mentions the following:

Bexarotene (Targretin) is a retinoid X receptor (RXR) agonist that has applications for treatment of T cell lymphoma and proposed mechanisms of action in Alzheimer’s disease that have been the subject of recent controversy. Carbon-11 labeled bexarotene ([¹¹C-carbonyl]4-[1-(3,5,5,8,8-pentamethyltetralin-2-yl)ethenyl]benzoic acid) was synthesized using a Cu-mediated cross-coupling reaction employing an arylboronate precursor and [¹¹C]carbon dioxide under atm. pressure in 15 ± 2% uncorrected radiochem. yield (n = 3), based on [¹¹C]CO₂. Judicious choice of solvents, catalysts, and additives, as well as precursor concentration and purity of [¹¹C]CO₂, enabled the preparation of this ¹¹C-labeled carboxylic acid. Formulated [¹¹C]bexarotene was isolated (>37 mCi) with >99% radiochem. purity in 32 min. Preliminary positron emission tomog.-magnetic resonance imaging revealed rapid brain uptake in nonhuman primate in the first 75 s following i.v. administration of the radiotracer (specific activity >0.3 Ci/μmol at time of injection), followed by slow clearance (Δ = -43%) over 60 min. Modest uptake (SUV_max = 0.8) was observed in whole brain and regions with high RXR expression. To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Related Products of 110-03-2

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Thouennon, Erwan;Delfosse, Vanessa;Bailly, Remy;Blanc, Pauline;Boulahtouf, Abdelhay;Grimaldi, Marina;Barducci, Alessandro;Bourguet, William;Balaguer, Patrick published 《Insights into the activation mechanism of human estrogen-related receptor γ by environmental endocrine disruptors》 in 2019. The article was appeared in 《Cellular and Molecular Life Sciences》. They have made some progress in their research.Computed Properties of C15H16O The article mentions the following:

The estrogen-related receptor γ (ERRγ, NR3B3) is a constitutively active nuclear receptor which has been proposed to act as a mediator of the low-dose effects of a number of environmental endocrine-disrupting chems. (EDCs) such as the xenoestrogen bisphenol-A (BPA). To better characterize the ability of exogenous compounds to bind and activate ERRγ, we used a combination of cell-based, biochem., structural and computational approaches. A purposely created stable cell line allowed for the determination of the EC50s for over 30 environmental ERRγ ligands, including previously unknown ones. Interestingly, affinity constants (Kds) of the most potent compounds measured by isothermal titrationcalorimetry were in the 50-500 nM range, in agreement with their receptor activation potencies. Crystallog. anal. of the interaction between the ERRγ ligand-binding domain (LBD) and compounds of the bisphenol, alkylphenol and naphthol families revealed a partially shared binding mode and minimal alterations of the receptor conformation upon ligand binding. Further biophys. characterizations coupled to mol. dynamics simulations suggested a mechanism through which ERRγ ligands would exhibit their agonistic properties by preserving the transcriptionally active form of the receptor while rigidifying some loop regions with associated functions. This unique mechanism contrasts with the classical one involving a ligand-induced repositioning and stabilization of the C-terminal activation helix H12. 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.Computed Properties of 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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Scharinger, Fabian;Palvolgyi, Adam Mark;Weisz, Melanie;Weil, Matthias;Stanetty, Christian;Schnuerch, Michael;Bica-Schroder, Katharina published 《Sterically Demanding Flexible Phosphoric Acids for Constructing Efficient and Multi-Purpose Asymmetric Organocatalysts》. The research results were published in《Angewandte Chemie, International Edition》 in 2022.SDS of cas: 119-47-1 The article conveys some information:

A novel approach for various asym. transformations of cyclic enones, e.g., 2-cyclohepten-1-one has been described. The combination of readily accessible chiral diamines and sterically demanding flexible phosphoric acids resulted in a simple and highly tunable catalyst framework. The careful optimization of the catalyst components led to the identification of a particularly powerful and multi-purpose organocatalyst, which was successfully applied for asym. epoxidations, aziridinations, aza-Michael-initiated cyclizations, as well as for a novel Robinson-like Michael-initiated ring closure/aldol cyclization. High catalytic activities and excellent stereocontrol were observed for all four reaction types, indicating the excellent versatility of the catalytic system. Furthermore, a simple change in the diamine’s configuration provided easy access to both product antipodes in all cases. The experimental procedure involved many compounds, such as 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

SDS of cas: 119-47-12,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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HPLC of Formula: 599-64-4《A tiered high-throughput screening approach for evaluation of estrogen and androgen receptor modulation by environmentally relevant bisphenol A substitutes》 was published in 2020. The authors were Keminer, Oliver;Teigeler, Matthias;Kohler, Manfred;Wenzel, Andrea;Arning, Juergen;Kassner, Franziska;Windshuegel, Bjoern;Eilebrecht, Elke, and the article was included in《Science of the Total Environment》. The author mentioned the following in the article:

Bisphenol A (BPA) is a high production volume chem. with a broad application spectrum. As an endocrine disrupting chem., mainly by modulation of nuclear receptors (NRs), BPA has an adverse impact on organisms and is identified as a substance of very high concern under the European REACH regulation. Various BPA substitution candidates have been developed in recent years, however, information concerning the endocrine disrupting potential of these substances is still incomplete or missing. In this study, we intended to investigate the endocrine potential of BPA substitution candidates used in environmentally relevant applications such as thermal paper or epoxy resins. Based on an extensive literature and patent search, 33 environmentally relevant BPA substitution candidates were identified. In order to evaluate the endocrine potential of the BPA replacements, a screening cascade consisting of biochem. and cell-based assays was employed to investigate substance binding to the NRs estrogen receptor α and β, as well as androgen receptor, co-activator recruitment and NR-mediated reporter gene activation. In addition, a computational docking approach for retrospective prediction of receptor binding was carried out. Our results show that some BPA substitution candidates, for which so far no or only very few data were available, possess a substantial endocrine disrupting potential (TDP, BPZ), while several substances (BPS, D-8, DD70, DMP-OH, TBSA, D4, CBDO, ISO, VITC, DPA, and DOPO) did not reveal any NR binding. To complete the study, the researchers used 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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Zanella, Delphine;Henket, Monique;Schleich, Florence;Dejong, Thibaut;Louis, Renaud;Focant, Jean-Francois;Stefanuto, Pierre-Hugues published 《Comparison of the effect of chemically and biologically induced inflammation on the volatile metabolite production of lung epithelial cells by GCxGC-TOFMS》 in 2020. The article was appeared in 《Analyst (Cambridge, United Kingdom)》. They have made some progress in their research.Quality Control of 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

Exhaled breath anal. has a high potential for early non-invasive diagnosis of lung inflammatory diseases, such as asthma. The characterization and understanding of the inflammatory metabolic pathways involved into volatile organic compounds (VOCs) production could bring exhaled breath anal. into clin. practice and thus open new therapeutic routes for inflammatory diseases. Lung inflammation was simulated in vitro using A549 epithelial cells. The authors compared the VOC production from A549 epithelial cells after a chem. induced oxidative stress in vitro, exposing the cells to H₂O₂, and a biol. stress, exposing the cells to an inflammatory pool of sputum supernatants. Special attention was devoted to define proper neg. and pos. controls (8 different types) for the authors’ in vitro models, including healthy sputum coculture. Sputum from 25 asthmatic and 8 healthy patients were collected to create each pool of supernatants. Each sample type was analyzed in 4 replicates using solid-phase microextraction (SPME) comprehensive two-dimensional gas chromatog. hyphenated to time-of-flight mass spectrometry (GCxGC-TOFMS). This approach offers high resolving power for complex VOC mixtures According to the type of inflammation induced, significantly different VOCs were produced by the epithelial cells compared to all controls. For both chem. and biol. challenges, an increase of carbonyl compounds (54%) and hydrocarbons (31%) was observed Only the biol. inflammation model showed a significant cell proliferation together with an increased VOC production linked to asthma airway inflammation. This study presents a complete GCxGC-TOFMS workflow for in vitro VOC anal., and its potential to characterize complex lung inflammatory mechanisms. The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

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.Quality Control of 2,5-Dimethyl-2,5-hexanediol

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Formula: C11H16O《Prediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors》 was published in 2017. The authors were Martinez-Lopez, Yoan;Barigye, Stephen J.;Martinez-Santiago, Oscar;Marrero-Ponce, Yovani;Green, James;Castillo-Garit, Juan A., and the article was included in《Environmental Toxicology and Pharmacology》. The author mentioned the following in the article:

Several descriptors from atom weighted vectors are used in the prediction of aquatic toxicity of set of organic compounds of 392 benzene derivatives to the protozoo ciliate Tetrahymena pyriformis (log(IGC50)^-1). These descriptors are calculated using the MD-LOVIs software and various Aggregation Operators are examined with the aim comparing their performances in predicting aquatic toxicity. Variability anal. is used to quantify the information content of these mol. descriptors by an information theory-based algorithm. Multiple Linear Regression with Genetic Algorithms is used to obtain models of the structure-toxicity relationships; the best model shows values of Q² = 0.830 and R² = 0.837 using six variables. The authors’ models compare favorably with other previously published models that use the same data set. The obtained results suggest that these descriptors provide an effective alternative for determining aquatic toxicity of benzene derivatives To complete the study, the researchers used 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Formula: C11H16O

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Recommanded Product: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochlorideIn 1975, Yamashita, Junko published 《Action site of antagonists of vitamin B6 in the central nervous system of frogs and cockroaches》. 《Journal of Nutritional Science and Vitaminology》published the findings. The article contains the following contents:

Treatment with thiosemicarbazide [79-19-6], semicarbazide-HCl [563-41-7], isoniazide [54-85-3], DL-penicillamine [52-66-4], or toxopyrimidine [73-67-6] induced wild leaping or jumping behavior, and tonic or clonic convulsions in the frog (Rana nigromaculata) in which the nervous parts posterior to the optic lobe inclusive remained intact. No convulsions were induced by castrix [535-89-7] or 4-deoxypyridoxine-HCl [148-51-6] in frogs in which the nervous parts anterior to the diencephalon inclusive had been removed. Excessive restlessness and convulsions were induced by thiosemicarbazide in cockroaches (Periplaneta americana) in which the central nerve cord was severed between the subesophageal and prothoracic ganglia. To complete the study, the researchers used 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) .

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Recommanded Product: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride) is a strong antagonist of vitamin B6. Deoxypyridoxine hydrochloride has been used as an analytical reference standard for the quantification of the analyte in food samples using high performance liquid chromatography.

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Yasui, Masamichi;Hanaya, Kengo;Sugai, Takeshi;Higashibayashi, Shuhei published 《Metal-free thermal organocatalytic pinacol coupling of arylaldehydes using an isonicotinate catalyst with bis(pinacolato)diboron》 in 2021. The article was appeared in 《RSC Advances》. They have made some progress in their research.Related Products of 579-43-1 The article mentions the following:

The metal-free thermal organocatalytic pinacol coupling of arylaldehydes has been developed. The intermol. coupling of arylaldehydes catalyzed by t-Bu isonicotinate with bis(pinacolato)diboron as the co-reducing agent afforded 1,2-diphenylethane-1,2-diols. This reaction was also applicable to the intramol. coupling of 1,1′-biphenyl-2,2′-dicarbaldehydes to afford 9,10-dihydrophenanthrene-9,10-diols. Various functional groups were tolerated under this coupling condition.rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) were involved in the experimental procedure.

Desymmetrization of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas:579-43-1 Related Products of 579-43-1) 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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