Month: October 2022

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

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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 .

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

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.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Das, Mitali;Shu, Chi-Min published 《A green approach towards adoption of chemical reaction model on 2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane decomposition by differential isoconversional kinetic analysis》 in 2016. The article was appeared in 《Journal of Hazardous Materials》. They have made some progress in their research.Category: alcohols-buliding-blocks The article mentions the following:

This study studied the thermal degradation products of 2,5-dimethyl-2,5-di-(tert-butylperoxy) hexane (DBPH), by TG/GC/MS to identify runaway reaction and thermal safety parameters. It also included the determination of time to maximum rate under adiabatic conditions (TMR_ad) and self-accelerating decomposition temperature obtained through Advanced Kinetics and Technol. Solutions The apparent activation energy (E_a) was calculated from differential isoconversional kinetic anal. method using DSC experiments The E_a value obtained by Friedman anal. is at 118.0-149.0 kJ mol^-1. The TMR_ad was 24.0 h with an apparent onset temperature of 82.4°. This study also established an efficient benchmark for a thermal hazard assessment of DBPH that can be applied to assure safer storage conditions.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

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.Category: alcohols-buliding-blocks

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Today I want to share an article with you. The article is 《Performance evaluation of ceramic membrane bioreactor: effect of operational parameters on micropollutant removal and membrane fouling》,you can find this article in 《Environmental Science and Pollution Research》. The following contents are mentioned:

This paper presents the removal of nine potential endocrine disruptors including pesticides, pharmaceuticals and industrial chems. using a submerged membrane bioreactor (MBR) system. Two lab-scale submerged MBRs having ceramic membranes were operated at three different sludge retention times (SRT: 15, 45, 90 days) and two hydraulic retention times (HRT: 12, 6 h) and the effects of SRT and HRT on both micropollutant removal and membrane fouling were investigated. While the effect of SRT and HRT change was observed on the removal of atrazine, fluoxetine, penconazole, no significant change was detected for the other micropollutants studied. It was determined that physicochem. properties such as distribution coefficient (LogD) and hydrophobicity of micropollutants are also effective on the removal efficiency of micropollutants. High removal efficiencies (≥ 97.5%) were observed for hydrophobic pollutants (logD > 3.2) except for penconazole (72.1%) and for hydrophilic pollutants (logD < 3.2) except for atrazine (42.5%). Membrane fouling was significantly affected by different operational parameters applied, with the slowest fouling occurring at 45 days of SRT and 12 h of HRT. However, micropollutant addition did not have a significant effect on membrane fouling. It has been shown that the simultaneous and effective treatment performance for micropollutants makes the membrane bioreactor system a promising wastewater treatment process. To complete the study, the researchers used 4-tert-Octylphenol (cas: 140-66-9) .

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

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts