Tag: 100-200

Aszyk, Justyna;Wozniak, Mateusz Kacper;Kubica, Pawel;Kot-Wasik, Agata;Namiesnik, Jacek;Wasik, Andrzej published 《Comprehensive determination of flavouring additives and nicotine in e-cigarette refill solutions. Part II: Gas-chromatography-mass spectrometry analysis》. The research results were published in《Journal of Chromatography A》 in 2017.HPLC of Formula: 78-69-3 The article conveys some information:

Flavouring compounds are an essential part of e-liquid products for cigarettes. In general, they are regarded as safe for ingestion, but they may have unrecognized risks when they are inhaled. In some cases, manufactures do not currently abide by the Tobacco Products Directive (2014/40/EU) and do not declare the detailed contents of e-liquids on their labels. To help evaluate the health impact of flavouring substances, there is a need for comprehensive approaches to determine their concentrations in e-liquids For this purpose, a GC-EI-MS method was developed and validated for the simultaneous determination of 46 commonly used flavor additives in e-liquids The proposed method performed well in terms of the key validation parameters: accuracy (84-113%), inter-/intra-day precision: 0.1-10% and 1-11%, resp., and sensitivity (limit of detection: 3-87 ng/mL). The sample preparation step was based on a simple “dilute & shoot” approach. This study is a complementary method to the LC-MS/MS procedure described in Part I. Both approaches are suitable for the comprehensive determination of 88 flavouring compounds and nicotine and can be used as tools for the rapid evaluation of the quality and safety of e-cigarette products.3,7-Dimethyloctan-3-ol (cas: 78-69-3) were involved in the experimental procedure.

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.HPLC of Formula: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
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Guan, Honghao;Sun, Shutao;Mao, Ying;Chen, Lei;Lu, Ran;Huang, Jiancheng;Liu, Lei published 《Iron(II)-Catalyzed Site-Selective Functionalization of Unactivated C(sp³)-H Bonds Guided by Alkoxyl Radicals》 in 2018. The article was appeared in 《Angewandte Chemie, International Edition》. They have made some progress in their research.Recommanded Product: 78-69-3 The article mentions the following:

An alkoxyl radical guided strategy for site-selective functionalization of unactivated methylene and methine C-H bonds enabled by an Fe^II-catalyzed redox process is described. The mild, expeditious, and modular protocol allows efficient remote aliphatic fluorination, chlorination, amination, and alkynylation of structurally and electronically varied primary, secondary, and tertiary hydroperoxides with excellent functional-group tolerance. The application for one-pot 1,4-hydroxyl functionalization of non-oxygenated alkane substrates initiated by aerobic C-H oxygenation is also demonstrated. The experimental procedure involved many compounds, such as 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Recommanded Product: 78-69-3 Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
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Chang, Sue-Joan published 《Vitamin B₆ antagonists alter the function and ultrastructure of mice endothelial cells》 in 2000. The article was appeared in 《Journal of Nutritional Science and Vitaminology》. They have made some progress in their research.Product Details of 148-51-6 The article mentions the following:

Vitamin B₆ is necessary for normal cell membrane function and stability. We studied both the function and ultrastructure of aortic and arterial endothelial cells (EC) in vitamin B₆ deficiency induced by vitamin B₆ antagonists 4-deoxypyridoxine HCl (dPN·HCl) and isonicotinylhydrazide (INH) given in drinking water to 1-mo-old ICR mice. The mice were fed normal laboratory chow and divided into 3 groups. Mice in group I were given distilled water (control), group II was given 0.1 mg dPN·HCl/mL water, and group III 0.4 mg INH/mL water. After 5 mo the blood plasma concentrations of B₆ vitamers pyridoxal-5′-phosphate (PLP) and pyridoxal (PL) were analyzed by HPLC. With arachidonic acid (AA) as a precursor, the PGI₂ production by EC was assayed by thin-layer chromatog. (TLC) as an indicator of endothelial function. Aorta and arterioles from the foot pad were removed, stained with osmium tetraoxide, and examined by transmission electron microscopy to evaluate the EC ultrastructure. The blood plasma concentrations of PLP, PL, and total B₆ were lowest for mice fed INH, followed by dPN·HCl and control. The PGI₂ production was paralleled by the plasma vitamin B₆ status, with the lowest levels in the INH group, followed by the dPN·HCl group. Abnormalities in the EC ultrastructure were found in both dPN·HCl and INH groups, including cells detached from underlying elastic tissue, with prominent pinocytotic vesicles and swelling and/or indistinct cristae of mitochondria. Thus, vitamin B₆ antagonists can induce a deficient status that alters the function and ultrastructure of EC similar to vascular disease.5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) were involved in the experimental procedure.

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Product Details of 148-51-6) 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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Alcohol – Wikipedia,
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Hamilton, Lisa A.;Tremblay, Louis A.;Northcott, Grant L.;Boake, Michael;Lim, Richard P. published 《The impact of variations of influent loading on the efficacy of an advanced tertiary sewage treatment plant to remove endocrine disrupting chemicals》. The research results were published in《Science of the Total Environment》 in 2016.Recommanded Product: 80-46-6 The article conveys some information:

The effect of changes in influent load on the removal of endocrine disrupting chems. (EDCs) by sewage treatment has not been fully characterized. This study assessed the efficacy of an advanced tertiary sewage treatment plant (STP) to remove EDCs during normal and peak flow events of sewage influent using trace chem. anal. of selected EDCs and four estrogenic in vitro bioassays. During the summer holiday season, influent volume increased by 68%, nutrient concentrations by ≥26% and hydraulic retention time was reduced by 40% compared with base flow conditions. Despite these pressures on the treatment system the concentrations and mass loading of estrone, 17β-estradiol, estriol, bisphenol A, 4-t-octylphenol and tech. nonylphenol were not significantly higher (p >0.05) during the peak flow conditions compared with base flow conditions. Chem. anal. and in vitro bioassays showed that the efficacy of the STP in removing EDCs was not affected by the different loadings between baseline and peak flow regimes. This study demonstrates that large flow variations within the design capacity of advanced multi-stage STPs should not reduce the removal efficacy of EDCs. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

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. Recommanded Product: 80-46-6

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Product Details of 110-03-2In 2012, Hanai, Yosuke;Shimono, Ken;Oka, Hiroaki;Baba, Yoshinobu;Yamazaki, Kunio;Beauchamp, Gary K. published 《Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice》. 《Cancer Cell International》published the findings. The article contains the following contents:

Backgrounds: A potential strategy for the diagnosis of lung cancer is to exploit the distinct metabolic signature of this disease by way of biomarkers found in different sample types. In this study, we investigated whether specific volatile organic compounds (VOCs) could be detected in the culture medium of the lung cancer cell line A549 in addition to the urine of mice implanted with A549 cells. Results: Several VOCs were found at significantly increased or decreased concentrations in the headspace of the A549 cell culture medium as compared with the culture medium of two normal lung cell lines. We also analyzed the urine of mice implanted with A549 cells and several VOCs were also found to be significantly increased or decreased relative to urine obtained from control mice. It was also revealed that seven VOCs were found at increased concentrations in both sample types. These compounds were found to be di-Me succinate, 2-pentanone, phenol, 2-methylpyrazine, 2-hexanone, 2-butanone and acetophenone. Conclusions: Both sample types produce distinct biomarker profiles, and VOCs have potential to distinguish between true- and false-pos. screens for lung cancer. 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) 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 3,7-Dimethyloctan-3-olIn 2014, Sawi, Salma Ahmed Mahmoud El;Hanafy, Doaa Mahmoud Moawad Mahmoud;Alfy, Taha Shahat Mohamed Ahmed El published 《Composition of the non-polar extracts and antimicrobial activity of Chorisia insignis HBK. leaves》. 《Asian Pacific Journal of Tropical Disease》published the findings. The article contains the following contents:

To investigate the chem. constituents of the petroleum ether extract and the ether fraction of the 70% ethanol extract of Chorisia insignis HBK. leaves, as well as screen its antimicrobial activity. Different chromatog. methods were applied to investigate the non-polar extracts and the diffusion assay method was applied to study the antimicrobial activity. A total of 50 compounds from the unsaponifiable matter and 20 fatty acid Me esters were identified from the petroleum ether extract by GC/MS anal. n-Hentriacontane, n-tritriacontane, stigmastanol, 3-methoxy-5, 6-dihydrostigmasterol, 7,8-dihydroergosterol, 4-methylcholesterol, cholestanol, multiflorenol, cholest-5-en-3-one, cholest-6-one, 5,6-dihydroergosterol, stigmasterol, dihydroalbigenin and 11-methyl-Δ^{5,7,9,15,17,23}-triacont-hex-ene were isolated from the petroleum ether extract Me heptacosanoate and quinic acid ester of rhamnose were isolated from the ether fraction of the 70% ethanol extract Antimicrobial activity of the total alc. extract and the successive fractions showed that the ether and the Et acetate fractions have potent antibacterial activity against Bacillus subtilis and Bacillus cereus. The ether and the Et acetate fractions could be used in pharmaceutical formulations as antibacterial agents against Bacillus subtilis and Bacillus cereus, and further clin. trials should be performed in order to support the above investigations. The experimental procedure involved many compounds, such as 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Safety of 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Reference:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Furmick, Julie K.;Kaneko, Ichiro;Walsh, Angela N.;Yang, Joanna;Bhogal, Jaskaran S.;Gray, Geoffrey M.;Baso, Juan C.;Browder, Drew O.;Prentice, Jessica L. S.;Montano, Luis A.;Huynh, Chanh C.;Marcus, Lisa M.;Tsosie, Dorian G.;Kwon, Jungeun S.;Quezada, Alexis;Reyes, Nicole M.;Lemming, Brittney;Saini, Puneet;van der Vaart, Arjan;Groy, Thomas L.;Marshall, Pamela A.;Jurutka, Peter W.;Wagner, Carl E. published 《Modeling, Synthesis and Biological Evaluation of Potential Retinoid X Receptor-Selective Agonists: Novel Halogenated Analogues of 4-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic Acid (Bexarotene)》. The research results were published in《ChemMedChem》 in 2012.Safety of 2,5-Dimethyl-2,5-hexanediol The article conveys some information:

The synthesis of halogenated analogs of 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic acid (1), known commonly as bexarotene, and their evaluation for retinoid X receptor (RXR)-specific agonist performance is described. Compound 1 is FDA approved to treat cutaneous T-cell lymphoma (CTCL); however, bexarotene treatment can induce hypothyroidism and elevated triglyceride levels, presumably by disrupting RXR heterodimer pathways for other nuclear receptors. The novel halogenated analogs in this study were modeled and assessed for their ability to bind to RXR and stimulate RXR homodimerization in an RXRE-mediated transcriptional assay as well as an RXR mammalian-2-hybrid assay. In an array of eight novel compounds, four analogs were discovered to promote RXR-mediated transcription with EC₅₀ values similar to that of 1 and are selective RXR agonists. Our approach also uncovered a periodic trend of increased binding and homodimerization of RXR when substituting a halogen atom for a proton ortho to the carboxylic acid on 1. 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.Safety of 2,5-Dimethyl-2,5-hexanediol

Reference:
Alcohol – Wikipedia,
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Schroter, Ariane;Peter, Sonja;Mahler, Hanns-Christian;Zerr, Andreas;Danton, Ombeline;Chalus, Pascal;Koulov, Atanas V.;Huwyler, Jorg;Jahn, Michael published 《Identification of an Oxidizing Leachable from a Clinical Syringe Rubber Stopper》. The research results were published in《Journal of Pharmaceutical Sciences (Philadelphia, PA, United States)》 in 2021.Name: 2,5-Dimethyl-2,5-hexanediol The article conveys some information:

Leaching of toxic or reactive chems. from polymeric materials can adversely affect the quality and safety of biopharmaceuticals. It was therefore the aim of the present study to analyze leachables from a disposable clin. administration syringe using a polysorbate-containing surrogate solution and to assess their chem. reactivity. Anal. methods did include (headspace) GC-MS, Fourier-transform-IR spectroscopy, a ferrous oxidation-xylenol orange assay, and NMR anal. In the syringe leachables solution, the carcinogenic 1,1,2,2-tetrachloroethane (TCE) was detected in concentrations above the ICH M7-derived anal. evaluation threshold. TCE was shown to be an oxidation product of dichloromethane used during sample preparation Since TCE was only isolated from incubations with the contained rubber stopper, we hypothesized that a stopper-derived leachable acted as a reactive oxidant promoting this chem. reaction. Subsequently, the leachable was identified to be the polymerization initiator Luperox 101. Combining different anal. approaches led to the structural elucidation of a chem. reactive oxidant, which has the potential to interact and alter drug products. We conclude that chem. reactive compounds, such as the newly identified rubber stopper leachable Luperox 101, may be of concern and therefore should be routinely considered if a prolonged exposure of polymers with drug products can be anticipated. 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) 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.Name: 2,5-Dimethyl-2,5-hexanediol

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Wooding, Madelien;Rohwer, Egmont R.;Naude, Yvette published 《Determination of endocrine disrupting chemicals and antiretroviral compounds in surface water: A disposable sorptive sampler with comprehensive gas chromatography – Time-of-flight mass spectrometry and large volume injection with ultra-high performance liquid chromatography-tandem mass spectrometry》 in 2017. The article was appeared in 《Journal of Chromatography A》. They have made some progress in their research.Application of 80-46-6 The article mentions the following:

Many rural dwellers and inhabitants of informal settlements in South Africa are without access to treated water and collect untreated water from rivers and dams for personal use. Endocrine disrupting chems. (EDCs) have been detected in surface water and wildlife of South Africa. EDCs are often present in complex environmental matrixes at ultra-trace levels complicating detection thereof. We report a simplified multi-residue approach for the detection and quantification of EDCs, emerging EDCs, and antiretroviral drugs in surface water. A low cost (less than one US dollar), disposable, sorptive extraction sampler was prepared inhouse. The disposable samplers consisted of polydimethylsiloxane (PDMS) tubing fashioned into a loop which was then placed in water samples to concentrate EDCs and emerging pollutants. The PDMS samplers were thermally desorbed directly in the inlet of a GC, thereby eliminating the need for expensive consumable cryogenics. Comprehensive gas chromatog. coupled to time-of-flight mass spectrometry (GCxGC-TOFMS) was used for compound separation and identification. Linear retention indexes of EDCs and emerging pollutants were determined on a proprietary Crossbond phase Rtx^–CLPesticides II GC capillary column. In addition, large volume injection of surface water into an ultra-performance liquid chromatograph tandem mass spectrometer (UPLC-MS/MS) was used as complementary methodol. for the detection of less volatile compounds Large volume injection reduced tedious and costly sample preparation steps. Limits of detection for the GC method ranged from 1 to 98 pg/l and for the LC method from 2 to 135 ng/l. Known and emerging EDCs such as pharmaceuticals, personal care products and pesticides, as well as the antiretroviral compounds, efavirenz and nevirapine, were detected in surface water from South Africa at concentration levels ranging from 0.16 ng/l to 227 ng/l.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

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. Application of 80-46-6

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Alcohol – Wikipedia,
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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.

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

Reference:
Alcohol – Wikipedia,
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