Month: September 2022

SDS of cas: 110-03-2《Vitrigel-Eye Irritancy Test Method Using HCE-T Cells》 was published in 2013. The authors were Yamaguchi, Hiroyuki;Kojima, Hajime;Takezawa, Toshiaki, and the article was included in《Toxicological Sciences》. The author mentioned the following in the article:

The authors previously reported that the time-dependent relative changes of transepithelial elec. resistance (TEER) after exposing four different chems. to a human corneal epithelium (HCE) model were well correlated to the potential of ocular irritancy. Meanwhile, the authors recently developed a collagen vitrigel membrane (CVM) chamber possessing a scaffold composed of high-d. collagen fibrils equivalent to connective tissues in vivo as a three-dimensional culture tool. The CVM chamber is useful for biomedical assays and immunohistol. using cryosections that are inappropriate to be performed using the conventional Millicell chamber with a polyethylene terephthalate membrane. In this study, the authors aimed to develop a new eye irritancy test (EIT) method called “Vitrigel-EIT method” that can facilitate to briefly and accurately estimate the widespread irritancy of test chems. by applying the TEER assay system to a HCE model fabricated in the CVM chamber. HCE-T cells (a HCE-derived cell strain) were cultured in the CVM chamber for 6 days, and consequently, the Vitrigel-HCE model possessing the following characteristics of HCE in vivo was formed: six cell layers with specific protein expressions and their barrier function. Time-dependent profiles of TEER values after exposing 30 test chems. to the HCE model were converted into the scores of three indexes (time lag, intensity, and plateau level), and each chem. was successfully classified into irritant or nonirritant category by utilizing the criteria for the indexes, resulting in the excellent correlation with Globally Harmonized System of Classification and Labeling of Chems. (GHS) classification (sensitivity: 100%, specificity: 75%, accuracy: 90%). These data suggest that the widespread eye irritancy of chems. can be predicted without false negatives by the Vitrigel-EIT method. Interestingly, the disruption of tight junctions was immunohistol. observed after exposing not only irritants but also three compounds classified as nonirritant by GHS but found pos. in the authors’ Vitrigel-EIT method confirming a possible mild irritant property. 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) 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.SDS of cas: 110-03-2

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HPLC of Formula: 119-47-1《Metabolome-microbiome signatures in the fermented beverage, Kombucha》 was published in 2020. The authors were Villarreal-Soto, Silvia Alejandra;Bouajila, Jalloul;Pace, Mauro;Leech, John;Cotter, Paul D.;Souchard, Jean-Pierre;Taillandier, Patricia;Beaufort, Sandra, and the article was included in《International Journal of Food Microbiology》. The author mentioned the following in the article:

Kombucha is a fermented tea. Here we investigate the fermentation kinetics, metabolite production, microbiome and potential health promoting properties of three different kombucha consortia. Shotgun metagenomic sequencing revealed several dominant bacterial genera such as Komagataeibacter, Gluconacetobacter and Gluconobacter. Brettanomyces and Schizosaccharomyces were the most dominant yeasts identified. Species distribution reflected different patterns of sugar consumption, with S. pombe being present in samples with the highest sugar conversion. Liquid-liquid extractions were performed with organic solvents in order to obtain dried extracts, which were later characterized. HPLC-DAD and GC-MS anal. revealed differences in the production of organic acids, sugars, alcs. and phenolic compounds, where the presence of caffeine, propanoic acid and 2,3 butanediol differ greatly across the three kombuchas. Metabolomic anal. exhibited a link between the microbiota and the production of bioactive compounds in kombucha fermentation In vitro assays were carried out in order to evaluate potential health-promoting features of the fermented teas, with notable outcomes including antioxidant ability against DPPH radical and against the 15-lipoxygenase enzyme, indicating a potential anti-inflammatory activity. These investigations considerably enhance our understanding of the relationship between the microbiota and metabolites as well as health promoting potential of kombucha and have the potential for the development of future generations of kombucha products in which these relationships are optimized. The experimental procedure involved many compounds, such as 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

HPLC of Formula: 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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Wu, Shaofeng;Geng, Furong;Dong, Jianyu;Liu, Long;Zhou, Yongbo published 《Metal-Free Oxidative Annulation of Phenols and Amines: A General Synthesis of Benzoxazoles》 in 2022. The article was appeared in 《Journal of Organic Chemistry》. They have made some progress in their research.Recommanded Product: 4-(2-Phenylpropan-2-yl)phenol The article mentions the following:

Under metal-free conditions, a highly general synthesis of benzoxazoles I [R = 5-i-Pr, 5,7-di-ter-Bu, 6-Ph, etc.; R¹ = n-Pr, t-Bu, Ph, etc.] direct from abundant and easily available phenols and amines was developed via a modular phenol functionalization controlled by TEMPO. In the reaction, various phenols and primary amines with a broad range of functional groups were compatible, producing structurally and functionally diverse benzoxazoles I without or with trace observation of the byproducts of phenol transformation with amines. The practical synthesis, especially for drug tafamidis, demonstrated decisive advantages in generality, selectivity, efficiency, and atom- and step-economies over traditional methods, even in the cases of low yields. Mechanistically, the radical adducts of TEMPO with ortho-cyclohexa-2,4-dien-1-one radicals rather than the well-recognized cyclohexa-3,5-diene-1,2-diones might serve as intermediates. 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.Recommanded Product: 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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Reference of 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride《Convulsive effects of 4-deoxypyridoxine and of bicuculline in photosensitive baboons (Papio papio) and in rhesus monkeys (Macaca mulatta)》 was published in 1971. The authors were Meldrum, B. S.;Horton, R. W., and the article was included in《Brain Research》. The author mentioned the following in the article:

4-Deoxypyridoxine HCl (I) [148-51-6] administered i.v. at 40-100 mg/kg enhanced the natural syndrome of photosynthetic epilepsy in baboons and increased the severity of photically-induced myoclonus so that it progressed to a tonic-clonic seizure. In subconvulsive doses I provoked epileptic afterdischarges in the occipital cortex of monkeys exposed to photic stimulation. In both species I at 100-150 mg/kg induced spontaneous seizures which originated unilaterally in the occipital cortex and began with a horizontal nystagmus. When the occipital discharges no longer generalized, the animals had a normal electroencephalogram. A 4:1 excess of pyridoxine [65-23-6] in baboons blocked the increase in photically-induced responses and drug-induced seizures. Bicuculline (II) [485-49-4] administered i.v. at 0.1-0.4 mg/kg induced generalized seizures in both species, and at 0.3-0.6 mg/kg induced prolonged (150-300 min) seizures characterized by sustained myoclonic activity and relative absence of episodes of postictal silence in baboons. At 0.1-0.3 mg/kg II sometimes caused a brief myoclonic jerk associated with frontorolandic spikes and waves. There seem to be 2 inhibitory systems which differ in their pharmacol. responsiveness but both probably involve γ-aminobutyric acid [56-12-2] as the neurotransmitter. One system seems to be intracortical and its functional failure causes occipital discharges and spontaneous seizures after administration of the pyridoxine antagonists. The other is probably a collateral inhibitory system within the pathways afferent to the somatomotor cortex. 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 Reference of 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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Jenke, Dennis published 《Safety Risk Categorization of Organic Extractables Associated with Polymers used in Packaging, Delivery and Manufacturing Systems for Parenteral Drug Products》. The research results were published in《Pharmaceutical Research》 in 2015.Product Details of 80-46-6 The article conveys some information:

Purpose: To develop and justify a Risk Evaluation Matrix for estimating the safety risk associated with extractables from plastic materials used in pharmaceutical applications and to apply that matrix to approx. 510 extractables to assess the risk that they would accumulate in drug products at levels sufficiently high to affect patient safety. The Risk Evaluation Matrix considers toxicol., availability and solubility characteristics of extractables. Safety Risk categories were established based on certain scaled values for these characteristics, Total Risk Scores were calculated for each extractable and the extractables were categorized with respect to their safety risk based on these calculations The Total Risk Scores were normally distributed around a value of 20 to 23, corresponding to safety risk categories of moderate and intermediate risk. The range in Risk Scores defined by the mean ± one standard deviation encompassed the entire region of moderate and intermediate risk. Approx. 15% of the extractables were categorized as lowest risk while 3% of the extractables were categorized as highest risk. Categorization of extractables could facilitate the selection of materials for use in pharmaceutical systems, the anal. testing of extracts and the selection of target extractables. To complete the study, the researchers used 4-tert-Amylphenol (cas: 80-46-6) .

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.Product Details of 80-46-6

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Name: 4-tert-Octylphenol《Neurotoxic effects of synthetic phenolic antioxidants on dopaminergic, serotoninergic, and GABAergic signaling in larval zebrafish (Danio rerio)》 was published in 2022. The authors were Shi, Ziyue;Liang, Xuefang;Zhao, Yaqian;Liu, Wang;Martyniuk, Christopher J., and the article was included in《Science of the Total Environment》. The author mentioned the following in the article:

Synthetic phenolic antioxidants (SPAs) are an environmental concern because they are widely detected in aquatic ecosystems and can pose potential threats to organisms. Studies have reported developmental deficits and behavioral changes in response to SPAs, indicating possible neurotoxic effects. However, their neuroactive potency as well as their mode of action (MoA) remain unclear. As such, this study evaluated the potential neurotoxicity of three SPAs [butylated hydroxytoluene (BHT), 2,4-di-tert-butylphenol (2,4-DTBP), and 4-tert-octylphenol (4-t-OP)] at three concentrations (0.01, 0.1 and 1 μM) to zebrafish larvae. Both 2,4-DTBP and BHT decreased spontaneous tail coiling (STC) at 28 hpf (hours post fertilization) whereas 4-t-OP increased STC. Locomotor activity, based on the velocity and distance of larvae (144 hpf) travelled, was promoted by 2,4-DTBP while it decreased in larvae with exposure to 4-t-OP and BHT. In the light-dark preference assay, exposure to either 2,4-DTBP or BHT resulted in variability in the visiting frequency to the dark zone, and larvae (144 hpf) spent less time in the dark, suggesting anxiety-like behavior. Conversely, zebrafish exposed to 4-t-OP, especially at 1 μM concentration, were hypoactive and spent more time in dark, suggestive of anxiolytic-like responses. RNA-seq was conducted to discern mechanisms underlying behavioral responses. Transcriptomic anal. revealed that gene networks related to neuroactive ligand-receptor interaction as well as neurotransmitter-related pathways were altered by all three SPAs based on gene set and subnetwork enrichment anal. Modulation of dopaminergic, serotoninergic, and/or GABAergic signaling at the transcript level was noted for each of the three SPAs, but different expression patterns were observed, indicating SPA- and dose-specific responses of the transcriptome. The present study provides novel insight into potential mechanisms associated with neurotoxicity of SPAs congeners.4-tert-Octylphenol (cas: 140-66-9) were involved in the experimental procedure.

4-tert-Octylphenol(cas: 140-66-9) has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).Name: 4-tert-Octylphenol

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Recommanded Product: 3,7-Dimethyloctan-3-olIn 2022, Thaveesangsakulthai, Isaya;Nhujak, Thumnoon;Kulsing, Chadin published 《Two-Phase Electrocoagulation of Perfumes and the Analytical Approach for Investigation of the Odor-Active Compound Changes》. 《ChemistrySelect》published the findings. The article contains the following contents:

In this study, a 2-phase electrocoagulation (EC) system has been applied to treat odor active compounds in perfume extracts The system employed an electrochem. cell using two aluminum electrodes and 2-phase electrolyte containing hexane, NaCl(aq) and the perfume compounds This approach allowed electrochem. reaction of the compounds with the subsequent changes of their profiles in the extracts The volatile compounds in the samples before and after 2-phase EC sampled at different parts of the system were tentatively identified by using solid phase micro extraction (SPME) and gas chromatog. hyphenated with mass spectrometry (GC-MS). The results revealed different types and amounts of the odor active compounds in the samples after the 2-phase EC treatment with the enhanced fruity, floral, sweet, green, minty, herbal and citrus smells. The electrochem. oxidation/reduction and esterification/hydrolysis were proposed as the possible reactions. The developed 2-phase EC technique has a potential for application in the area of cost-effective adjustment of essential oil and perfume quality. 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: 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Cobo-Golpe, M.;Ramil, M.;Cela, R.;Rodriguez, I. published 《Portable dehumidifiers condensed water: A novel matrix for the screening of semi-volatile compounds in indoor air》. The research results were published in《Chemosphere》 in 2020.Recommanded Product: 3,7-Dimethyloctan-3-ol The article conveys some information:

The comprehensive identification of organic species existing in indoor environments is a key issue to understand their impact in human health. This study proposes the anal. of condensed water samples, collected with portable dehumidifiers, to characterize semi-volatile compounds in the gas phase of confined areas. Water samples are concentrated by solid-phase extraction (SPE). The obtained extracts are analyzed by gas chromatog. (GC) time-of-flight mass spectrometry (TOF-MS), following a non-target screening data mining approach. In first term, spectra of deconvoluted compounds are compared with those in NIST low resolution library; thereafter, tentative identifications are verified using an inhouse database of accurate electron ionization (EI) MS spectra. Chromatog. (retention index) and spectral data are combined for unambiguous species identification. The potential of condensed water samples to reflect changes in the composition of indoor atmospheres, the match between data obtained using different dehumidifiers, and the relative concentration efficiency of condensed water compared to that attained by active sampling of moderate air volumes are discussed. A total of 141 semi-volatile compounds were identified (98 confirmed against authentic standards) in a set of 21 samples obtained from different homes and working places. This list contains more than 40 fragrances (including several potential allergens), solvents and intermediates in the production of polymeric materials, plasticizers and flame retardants. To complete the study, the researchers used 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: 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Category: alcohols-buliding-blocksIn 2017, Escande, Vincent;Lam, Chun Ho;Coish, Philip;Anastas, Paul T. published 《Heterogeneous Sodium-Manganese Oxide Catalyzed Aerobic Oxidative Cleavage of 1,2-Diols》. 《Angewandte Chemie, International Edition》published the findings. The article contains the following contents:

The aerobic oxidative cleavage of 1,2-diols using a heterogeneous catalyst only based on earth-abundant metals manganese and sodium is reported for the first time. This reusable catalyst cleaves a variety of substrates into aldehydes or ketones with high selectivity. The reaction requires small catalytic loadings and is performed under mild conditions using ambient pressure O₂ or air as the oxidant while producing water as the only byproduct. Mechanistic investigations reveal a monodentate, two-electron oxidative fragmentation process involving a Mn^IV species. The eco-friendly, innocuous catalyst is compatible with a wide range of functional groups and conditions, making it highly competitive with classical reagents, such as periodic acid or lead tetraacetate, as a preferred method for activated 1,2-diols. To complete the study, the researchers used rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

Desymmetrization of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas:579-43-1 Category: alcohols-buliding-blocks) 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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Sangjan, Worasit;Marzougui, Afef;Mattinson, D. Scott;Schroeder, Brenda K.;Bates, Austin A.;Khot, Lav R.;Sankaran, Sindhuja published 《Identification of volatile biomarkers for high-throughput sensing of soft rot and Pythium leak diseases in stored potatoes》 in 2022. The article was appeared in 《Food Chemistry》. They have made some progress in their research.Electric Literature of C10H22O The article mentions the following:

Soft rot and Pythium leak are postharvest storage diseases of potato tubers that can cause substantial crop losses in the US. This study focused on detecting volatile organic compounds (VOCs) associated with rot inoculated tubers during storage (up to 21 days) using headspace solid-phase microextraction (SPME) coupled to gas chromatog. (GC) with mass spectrometry (MS) and flame ionization detector (FID) anal. Russet Burbank and Ranger Russet tubers were inoculated with the rot pathogens. Static sampling with 50 min trapping time followed by GC-MS and GC-FID anal. identified 23 and 30 common VOCs from the pathogen inoculated tubers. Overall, n,n-dimethylmethylamine, acetone, 1-undecene, and styrene, occurred frequently and repeatability in inoculated samples based on GC-MS anal., with the latter two found using GC-FID anal. as well. Identification of such biomarkers can be useful in developing high-throughput VOC sensing systems for early disease detection in potato storage facilities. And 3,7-Dimethyloctan-3-ol (cas: 78-69-3) was used in the research process.

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.Electric Literature of C10H22O Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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