80-46-6 Archives - Page 2 of 6 - Alcohols-buliding-blocks

Cas: 80-46-6 | Li, Qinling et al. made new progress in 2017

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

Formula: C11H16O《Predicting the toxicity of substituted aromatic compounds to fathead minnows using artificial neural network》 was published in 2017. The authors were Li, Qinling;Yang, Yuliang, and the article was included in《Jisuanji Yu Yingyong Huaxue》. The author mentioned the following in the article:

Ninety-two substituted aromatic compounds (containing alkyl-benzenes, nitrobenzene, phenols and anilines) were calculated and 13 quantum chem. parameters were obtained using ab initio. The prediction model was established quant. relationship between the acute toxicity to fathead minnows of a set of substituted aromatic compounds on using BP-ANN and RBF-ANN method. The correlation coefficients of the prediction model were 0.958 and 0.967. Exptl. results showed: BP-ANN and RFB-ANN were better than the multiple regression methods. The results showed that there was nonlinear relationship between toxicity and the quantum chem. parameters. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

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Cas: 80-46-6 | Yan, Yuzhu et al. made new progress in 2022

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.Category: alcohols-buliding-blocks

Yan, Yuzhu;Wang, Jihan;Huang, Dageng;Lv, Jing;Li, Hui;An, Jing;Cui, Xiaojian;Zhao, Heping published 《Plasma lipidomics analysis reveals altered lipids signature in patients with osteonecrosis of the femoral head》. The research results were published in《Metabolomics》 in 2022.Category: alcohols-buliding-blocks The article conveys some information:

Although studies have established a link between lipid metabolism disorder and osteonecrosis of the femoral head (ONFH), the characteristics of the circulating lipidome signature of ONFH have not yet been investigated and need to be explored. We aimed to explore the plasma lipidome signatures in patients with ONFH, and to identify specific lipid biomarkers of ONFH. In this study, a comprehensive detection and anal. of plasma lipidomics was conducted in clin. human cohort, including 32 healthy normal control (NC) subjects and 91 ONFH patients in different subgroups [alc.-induced ONFH (AONFH), steroid-induced ONFH (SONFH), and traumatic-induced ONFH (TONFH)] or at different disease stages (stage I, II, III and IV of ONFH) using ultra-high performance liquid chromatog.-tandem mass spectrometry (UHPLC-MS/MS). Overall, the plasma lipidome profile differs between ONFH and NC samples. Lipidome signature including 22 common differentially expressed lipids (DELs) in all three subgroups (variable importance in projection > 1, P < 0.05, fold change > 1.5 or < 0.67, compared to the NC group) was identified. Besides, the subtype-specific lipidome profiles for each ONFH subgroup were also analyzed. Generally, the AONFH subgroup has the largest number of DELs, and the plasma levels of triacylglycerol lipid compounds increased obviously in the AONFH samples. In the subgroup of SONFH, the relative abundance of lipid 4-Aminobenzoic acid increased significantly with changes in the expression of several of its interactive genes. We have identified that 9 stage-pos. and 2 stage-neg. lipids may function as novel biomarkers predicting the progression of ONFH. Our study presents an overview of the phenotype-related plasma lipidome signature of patients with ONFH. The results will provide insight into the mechanisms underlying the metabolism of lipids in the pathogenesis and progression of ONFH and help identify novel lipids biomarkers or disease diagnosis and treatment targets.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

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Cas: 80-46-6 was involved in experiment | Molecules 2020

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group.Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Recommanded Product: 80-46-6

Liu, Guang-Xue;Xu, Feng;Shang, Ming-Ying;Wang, Xuan;Cai, Shao-Qing published 《The relative content and distribution of absorbed volatile organic compounds in rats administered asari radix et rhizoma are different between powder- and decoction-treated groups》. The research results were published in《Molecules》 in 2020.Recommanded Product: 80-46-6 The article conveys some information:

Asari Radix et Rhizoma (ARR) is an important traditional Chinese medicine. Volatile organic compounds (VOCs) are the main active constituents of ARR. Research on the metabolite profile of VOCs and the difference of absorbed constituents in vivo after an administration of ARR decoction and powder will be helpful to understand the pharmacol. activity and safety of ARR. In this study, headspace solid-phase microextraction gas chromatog. mass spectrometry (HS-SPME-GC-MS) was applied to profile the VOCs from ARR in rats in vivo. A total of 153 VOCs were tentatively identified; 101 were original constituents of ARR (98 in the powder-treated group and 43 in the decoction-treated group) and 15 were metabolites, and their metabolic reactions were mainly oxidation and reduction, with only two cases of methylation and esterification, and 37 unclassified compounds were identified only in the ARR-treated group. Of the 153 VOCs identified, 131 were reported in rats after oral administration of ARR for the first time, containing 79 original constituents, 15 metabolites, and 37 unclassified compounds In the powder-treated group, methyleugenol, safrole, 3,5-dimethoxytoluene (3,5-DMT), 2,3,5-trimethoxytoluene (2,3,5-TMT), and 3,4,5-trimethoxytoluene (3,4,5-TMT) were the main absorbed constituents, the relative contents of which were significantly higher compared to the decoction-treated group, especially methyleugenol, safrole, and 3,5-DMT. In the decoction-treated group, 3,4,5-TMT, 2,3,5-TMT, kakuol, and eugenol were the main constituents with a higher content and wider distribution. The results of this study provide a reference for evaluating the efficacy and safety of ARR. To complete the study, the researchers used 4-tert-Amylphenol (cas: 80-46-6) .

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Learn more about cas: 80-46-6 | Molecules 2022

Smoum, Reem;Haj, Christeene;Hirsch, Shira;Nemirovski, Alina;Yekhtin, Zhannah;Bogoslavsky, Benny;Bakshi, Gaganjyot Kaur;Chourasia, Mukesh;Gallily, Ruth;Tam, Joseph;Mechoulam, Raphael published 《Fenchone Derivatives as a Novel Class of CB2 Selective Ligands: Design, Synthesis, X-ray Structure and Therapeutic Potential》 in 2022. The article was appeared in 《Molecules》. They have made some progress in their research.Product Details of 80-46-6 The article mentions the following:

A series of novel cannabinoid-type derivatives was synthesized by the coupling of (1S,4R)-(+) and (1R,4S)-(-)-fenchones I (R = H, Me, n-pentyl, 2-methylbutan-2-yl, etc.; R¹ = H, hexyl; R² = H, OMe) with various resorcinols RC₆H₃(OH)₂/phenols RC₆H₄OH. The fenchone-resorcinol derivatives I were fluorinated using Selectfluor and demethylated using sodium ethanethiolate in DMF (DMF). The absolute configurations of four compounds were determined by X-ray single crystal diffraction. The fenchone-resorcinol analogs I possessed high affinity and selectivity for the CB2 cannabinoid receptor. One of the analogs synthesized, I (R = 2-methyloctan-2-yl, R¹ = H, R² = OMe (II)), had a high affinity (K_i = 3.51 nM) and selectivity for the human CB2 receptor (hCB2). In the [³⁵S]GTPγS binding assay, the lead compound was found to be a highly potent and efficacious hCB2 receptor agonist (EC₅₀ = 2.59 nM, E_(max) = 89.6%). Two of the fenchone derivatives I were found to possess anti-inflammatory and analgesic properties. Mol.-modeling studies elucidated the binding interactions of (II) within the CB2 binding site.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

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Kamata, Ryo et al. published new progress in experiments with the help of cas: 80-46-6

Kamata, Ryo;Nakajima, Daisuke;Shiraishi, Fujio published 《Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay》. The research results were published in《Toxicology In Vitro》 in 2018.Product Details of 80-46-6 The article conveys some information:

The constitutive androstane receptor (CAR) is a nuclear receptor and transcription factor regulating proteins involved in xenobiotic metabolism Agonist activation of the CAR can trigger metabolic activation and toxification as well as detoxification and clearance; accordingly, xenobiotic substances acting as CAR ligands may pose a threat to human and animal health. The authors used yeast cells transduced with the human CAR and the response pathway to measure the CAR-agonistic activities of 549 synthetic or natural compounds: 216 of the tested compounds exhibited CAR-agonistic effects. Eighty-four percent of CAR-activating compounds were aromatic compounds, and >65% of these active compounds were aromatic hydrocarbons, bisphenols, monoalkyl phenols, phthalates, styrene dimers, di-Ph ethers, organochlorines, and organophosphates. The ten most potent compounds were 4-tert-octylphenol (4tOP; reference substance), 4-nonylphenol, diethylstilbestrol, benzyl Bu phthalate, 2-(4-hydroxyphenyl)-2,4,4-trimethylchroman, o,p’-DDT, methoxychlor, di-Pr phthalate, hexestrol, and octachlorostyrene. The activities of these nine non-reference compounds exceeded 10% of the 4tOP activity. Anal. of para-monoalkyl phenols suggests that branching of the alkyl group and chlorination at the ortho position raises potency. This study provides critical information for identifying the potential of CAR-mediated toxic hazards and for understanding the relevant mechanism. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

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Cas: 80-46-6 | Kluever, Nilspublished an article in 2016

HPLC of Formula: 80-46-6In 2016, Kluever, Nils;Vogs, Carolina;Altenburger, Rolf;Escher, Beate I.;Scholz, Stefan published 《Development of a general baseline toxicity QSAR model for the fish embryo acute toxicity test》. 《Chemosphere》published the findings. The article contains the following contents:

Fish embryos have become a popular model in ecotoxicol. and toxicol. The fish embryo acute toxicity test (FET) with the zebrafish embryo was recently adopted by the OECD as tech. guideline TG 236 and a large database of concentrations causing 50% lethality (LC₅₀) is available in the literature. Quant. Structure-Activity Relationships (QSARs) of baseline toxicity (also called narcosis) are helpful to estimate the min. toxicity of chems. to be tested and to identify excess toxicity in existing data sets. Here, we analyzed an existing fish embryo toxicity database and established a QSAR for fish embryo LC₅₀ using chems. that were independently classified to act according to the non-specific mode of action of baseline toxicity. The octanol-water partition coefficient K_ow is commonly applied to discriminate between non-polar and polar narcotics. Replacing the K_ow by the liposome-water partition coefficient K_lipw yielded a common QSAR for polar and non-polar baseline toxicants. This developed baseline toxicity QSAR was applied to compare the final mode of action (MOA) assignment of 132 chems. Further, we included the anal. of internal lethal concentration (ILC₅₀) and chem. activity (La₅₀) as complementary approaches to evaluate the robustness of the FET baseline toxicity. The anal. of the FET dataset revealed that specifically acting and reactive chems. converged towards the baseline toxicity QSAR with increasing hydrophobicity. The developed FET baseline toxicity QSAR can be used to identify specifically acting or reactive compounds by determination of the toxic ratio and in combination with appropriate endpoints to infer the MOA for chems. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

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Cas: 80-46-6 was involved in experiment | Chemical Engineering Journal (Amsterdam, Netherlands) 2019

Electric Literature of C11H16OIn 2019, Zhang, Zhen;Ruan, Zhiyong;Liu, Jin;Liu, Chang;Zhang, Fuming;Linhardt, Robert J.;Li, Lin published 《Complete degradation of bisphenol A and nonylphenol by a composite of biogenic manganese oxides and Escherichia coli cells with surface-displayed multicopper oxidase CotA》. 《Chemical Engineering Journal (Amsterdam, Netherlands)》published the findings. The article contains the following contents:

Endocrine-disrupting chems. (EDCs) are a large group of environmental toxicants that pose serious risks to public health. In this study, we report a new method for the complete degradation of EDCs using a dual oxidation-action composite of biogenic manganese oxides and engineered Escherichia coli cells with surface-expressed multicopper oxidase CotA. The cotA gene from a Mn²⁺-oxidizing bacterium was constructed as a fusion gene “inaQ-N/cotA” with an anchoring motif inaQ-N from Pseudomonas syringae and was expressed in E. coli cells to display catalytic CotA on the cell surface. Under prolonged Mn²⁺-enriched culturing conditions, the engineered cells were capable of forming microspherical aggregated composites that were mainly composed of ramsdellite (MnO₂). The ability of the composite to degrade two EDCs, bisphenol A (BPA) and nonylphenol (NP), was investigated. GC-MS assays identified 7 and 10 degraded intermediates using the ¹³C isotope from ¹³C-labeled BPA and ¹³C-labeled NP, resp. The appearance of ¹³CO₂ from both reaction mixtures revealed mineralization pathways of BPA and NP by this composite. Bioassays using Caenorhabditis elegans as an indicator organism demonstrated that the estrogenic activity of BPA and NP was eliminated by these degradation processes. The reaction of the composite proceeded at an acidic pH and room temperature A consecutive three-round treatment process showed comparable levels of degradation by the composite in repeated reactions and showed that the activity could be easily recovered. Moreover, the superoxide radical levels of BPA-degradation and NP-degradation were monitored during the 24 h reaction time, and possible BPA-degradation and NP-degradation pathways by the composite were proposed. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

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Learn more about cas: 80-46-6 | Food Additives & Contaminants, Part A 2017

Synthetic Route of C11H16OIn 2017, Domeno, Celia;Aznar, Margarita;Nerin, Cristina;Isella, Francesca;Fedeli, Mauro;Bosetti, Osvaldo published 《Safety by design of printed multilayer materials intended for food packaging》. 《Food Additives & Contaminants, Part A》published the findings. The article contains the following contents:

Printing inks are commonly used in multilayer plastics materials used for food packaging, and compounds present in inks can migrate to the food either by diffusion through the multilayers or because of set-off phenomena. To avoid this problem, the right design of the packaging is crucial. This paper studies the safety by design of multilayer materials. First, the migration from four different multilayers manufactured using polyethylene terephthalate (PET), aluminum (Al) and polyethylene (PE) was determined The structural differences among materials such as the presence of inks or lacquer coatings as well as the differences in layers position allowed the study of a safety-by-design approach. Sixty-nine different compounds were detected and identified; 49 of them were not included in the pos. list of Regulation EU/10/2011 or in Swiss legislation and 15 belong to Cramer class III, which means that they have a theor. high toxicity. Some of the compounds related to ink composition were pyrene, a compound com. used to make dyes and dye precursors and the antioxidant Irganox 1300. The application of external lacquers decreased the concentration of some migrants but also brought the potential for new migrants coming from its composition A final risk assessment of the material allowed evaluating food safety for different food simulants and confirm it. To complete the study, the researchers used 4-tert-Amylphenol (cas: 80-46-6) .

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Liu, Min et al. published new experimental results with the assistance of cas: 80-46-6

Liu, Min;Chen, Tieqiao;Zhou, Yongbo;Yin, Shuang-Feng published 《Transition metal-free oxidative ortho-acylation of phenols with N-heteroarylmethanes via double C-H activation》 in 2016. The article was appeared in 《Catalysis Science & Technology》. They have made some progress in their research.Product Details of 80-46-6 The article mentions the following:

The direct oxidative acylation of phenols with N-heteroarylmethanes via sp³C-H and sp²C-H double activation was achieved under transition metal-free reaction conditions. This transformation proceeded in a facile I₂/DMSO/O₂ system regioselectively to produce valuable (2-hydroxyphenyl)arylmethanones from easily available starting materials in moderate to good yields. A plausible mechanism was proposed. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

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Cas: 80-46-6 was involved in experiment | Environmental Toxicology and Pharmacology 2017

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) .

Reference:
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