Author: tianli

Gray, Leon E. Jr.;Furr, Johnathan R.;Lambright, Christy S.;Evans, Nicola;Hartig, Phillip C.;Cardon, Mary C.;Wilson, Vickie S.;Hotchkiss, Andrew K.;Conley, Justin M. published 《Quantification of the uncertainties in extrapolating from in vitro androgen receptor antagonism to in vivo hershberger assay endpoints and adverse reproductive development in male rats》 in 2020. The article was appeared in 《Toxicological Sciences》. They have made some progress in their research.Synthetic Route of C15H16O The article mentions the following:

Multiple mol. initiating events exist that disrupt male sexual differentiation in utero including androgen receptor (AR) antagonism and inhibition of synthesis, and metabolism of fetal testosterone. Disruption of androgen signaling by AR antagonists in utero reduces anogenital distance (AGD) and induces malformations in F1 male rat offspring. We are developing a quant. network of adverse outcome pathways that includes multiple mol. initiating events and key events linking anti-AR activities to permanent reproductive abnormalities. Here, our objective was to determine how accurately the EC50s for AR antagonism in vitro or ED50s for reduced tissue growth in the Hershberger assay (HA) (key events in the adverse outcome pathway) predict the ED50s for reduced AGD in male rats exposed in utero to AR antagonists. This effort included inhouse data and published studies from the last 60 years on AR antagonism in vitro and in vivo effects in the HA and on AGD after in utero exposure. In total, more than 250 studies were selected and included in the anal. with data from about 60 potentially antiandrogenic chems. The ability to predict ED50s for key events and adverse developmental effects from the in vitro EC50s displays considerable uncertainty with R2 values for HA and AGD of < 6%. In contrast, there is considerably less uncertainty in extrapolating from the ED50s in the HA to the ED50s for AGD (R2 value of about 85%). In summary, the current results suggest that the key events measured in the HA can be extrapolated with reasonable certainty to predict the ED50s for the adverse in utero effects of antiandrogenic chems. on male rat offspring. 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.Synthetic Route 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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Yuan, Shiyu;Li, Haijing;Liu, Zhiqiang;Wang, Yutong;Wang, Li;Zhang, Xiangwen;Liu, Guozhu published 《Measurement of non-hindered and hindered phenolic species in aviation fuels via tandem-SPE with comprehensive GC x GC-MS/FID》 in 2021. The article was appeared in 《Fuel》. They have made some progress in their research.SDS of cas: 80-46-6 The article mentions the following:

Phenolic species have a great impact on the thermal oxidation stability of aviation fuels. However, it is difficult to measure phenolic complex composition and trace content. In this paper, a novel method based on tandem-solid phase extraction (SPE) with comprehensive two-dimensional gas chromatog. (GC x GC)-mass spectrometry (MS) and flame ionization detector (FID) was proposed for measurement of phenolic species in aviation fuels. The tandem of normal phase SPE and anion exchange SPE was employed to extract non-hindered and hindered phenolic species resp. from aviation fuels, and comprehensive GC x GC-MS/FID was used to identify and quantify individual phenolic species with few co-elution. Ninety-eight kinds of phenolic species were identified manually in aviation fuels according to the characteristic m/z and phenolic distribution regular in the 2D chromatogram. Quant. accuracy for phenolic species was verified as their recoveries were satisfactory, especially hindered phenols (BHT), which were totally deprotonated by 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD). Each phenolic species was individually quantified using calibration curve library. Moreover, this work analyzed the adsorption characteristics of phenolic isomers in tandem-SPE procedure and the variation of the contents of phenolic and other oxygenated species after thermal stress. This is an accurate and complete method for measurement of non-hindered and hindered phenolic species in aviation fuels, which is of great significance to establish and improve the kinetic model of thermal oxidation deposition. And 4-tert-Amylphenol (cas: 80-46-6) was used in the research process.

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.SDS of cas: 80-46-6

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Liu, Chenlong;Chen, Dong;Cao, Yongan;Zhang, Tianxi;Mao, Yangyang;Wang, Wenju;Wang, Zhigang;Kawi, Sibudjing published 《Catalytic steam reforming of in-situ tar from rice husk over MCM-41 supported LaNiO₃ to produce hydrogen rich syngas》 in 2020. The article was appeared in 《Renewable Energy》. They have made some progress in their research.COA of Formula: C23H32O2 The article mentions the following:

In this paper, a series of catalysts loaded with different amount of LaNiO₃ on MCM-41 supported were studied for steam reforming of biomass tar reaction using in-situ tar in double fixed-bed. Different methods including XRD, N₂ adsorption-desorption, SEM, XPS and TG-DTG were employed for characterization of fresh and spent catalysts. The results of low-angle XRD and N₂-adsorption-desorption anal. shown that MCM-41 supported was successfully synthesized. In the first-stage fixed-bed, in-situ tar was produced by pyrolysis of rice husk at 450°C. Simultaneously, the LaNiO₃ and XLaNiO₃/MCM-41 (X = 0.025, 0.05, 0.075 and 0.1) catalysts were investigated for hydrogen rich syngas production at various reforming temperature (500°C-900°C) and steam/carbon mass ratio (S/C = 0.6-1) in second-stage fixed-bed. At the same conditions after five-time cycles, 0.1LaNiO₃/MCM-41 showed a stable hydrogen gas composition of around 50%, and 0.1LaNiO₃/MCM-41 catalyst was effective in catalysis of phenol compound in in-situ tar by GC-MS results. TGA-DTG and Raman anal. revealed the carbon deposition was mostly amorphous on 0.1LaNiO₃/MCM-41, and lattice oxygen released to remove deposited carbon was the possible reason for 0.1LaNiO₃/MCM-41 catalyst’s stable catalytic performance by XPS results. The experimental procedure involved many compounds, such as 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) .

COA of Formula: C23H32O22,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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SDS of cas: 148-51-6《Synthesis of vitamin B₆ derivatives. Catalytic reduction of hydroxymethyl group substituted in pyridine ring》 was published in 1959. The authors were Naito, Takeo;Ueno, Katsujiro, and the article was included in《Yakugaku Zasshi》. The author mentioned the following in the article:

Catalytic reduction of 1.64 g. pyridoxine triacetate-HCl in 32 mL. H₂O with 1 g. 10% Pd-C 1.5 h. at normal pressure of H absorbed 240 mL. H and gave 0.7 g. 3,4,6,5-Me₃(OH)C₅HN.HCl (I), m. 209-12°. Similarly, pyridoxine 4-Et ether HCl salt yielded 52% I, m. 210-12°. The above reaction with 1 mol absorption of H yielded 18% 4,6,3,5-Me₂(HOCH₂)(HO)C₅HN.HCl (II), m. 250° (decomposition), and the mother liquor yielded 31% 3,6,4,5-Me₂(EtOCH₂)(HO)C₅HN.HCl; picrate m. 138°. Catalytic reduction of 0.56 g. 6,3,4,5-Me(AcOCH₂)(EtOCH₂)(HO)C₅HN.HCl in 20 mL. MeOH with 0.8 g. 10% Pd-C showed no absorption of H, the reduction proceeded well by addition of 20 mL. H₂O and absorbed 54 mL. H in 2 h., and the product in 10% HCl heated 30 min. at 100° yielded 48.8% 3,6,4,5-Me₂(EtOCH₂)(HO)C₅HN; picrate, m. 138°. Catalytic reduction of 3.76 g. pyridoxal oxime-HCl in 170 mL. H₂O and 88 mL. 10% HCl with 4.8 g. 10% Pd-C absorbed 3050 mL. H in 20 h. and yielded 62% 3,6,4,5-Me₂(HCl.H₂NCH₂)(HO)C₅HN.HCl (III), m. 262-3° (decomposition); diacetate, C₁₂H₁₆O₃N₂, m. 176-7°; ditosylate-HCl, m. 194-5°. Catalytic reduction of 0.29 g. 6,3,4,5-Me(AcOCH₂)(AcNHCH₂)(AcO)C₅HN in 8 mL. MeOH and 2.2 mL. 10% HCl-MeOH showed no absorption H but an addition of 10 mL. H₂O absorbed 28 mL. H in 2 h. and yielded 100% diacetate of III, m. 174°. Similarly, 0.51 g. pyridoxal-HCl in 20 mL. H₂O and 0.5 g. 10% Pd-C yielded 30% II, m. 246-8°. Catalytic reduction of 0.58 g. pyridoxal Et hemiacetal-HCl (IV) in 20 mL. EtOH and 0.5 g. 10% Pd-C (1 mol H absorbed) yielded 79% 6,5,3,4-Me(HO)(CH₂OCH₂)C₅HN.HCl (V), m. 233-4°; picrate m. 186-7°. Similarly, 0.58 g. IV, 20 mL. H₂O and 0.5 g. Pd-C yielded 40% II, m. 248-50°; 0.58 g. IV, 20 mL. HCl, 2.7 mL. 10% HCl and 0.5 g. Pd-C yielded 68% V, m. 225-30°. Catalytic reduction of 1.09 g. 2-HOCH₂C₅H₄ N in 15 mL. MeOH and 51 mL. 5% HCl-MeOH with 1 g. Pd-C (260 mL. H absorbed in 2 h.) yielded 90% 2-MeC₅H₄N (VI); picrate m. 164-5°. Similarly, 1.23 g. 2-MeOCH₂C₅H₄N in 15 mL. MeOH and 51 mL. 5% HCl-MeOH with 0.1 g. Pd-C (255 mL. H absorbed) yielded 91% 2-MeC₅H₄N; or, 2-AcOCH₂C₅H₄N, in a similar way, yielded 88% 2-MeC₅H₄N. 2-HOCH₂C₅H₄N.HCl (8 g.) added dropwise into 40 g. SOCl₂ with cooling, refluxed 2 h., cooled, 100 mL. C₆H₆ added and the product filtered off gave 8.8 g. 2-ClCH₂C₅H₄N (VII); picrate m. 146-7°. MeONa (2.72 g. Na and 55 mL. MeOH) treated dropwise with VII in 20 mL. MeOH, refluxed 1 h., the solvent removed and the residue extracted with Et₂O gave 4.7 g. 2-MeOCH₂C₅H₄N, b₁₈ 76-8°. Similarly are prepared (product, b.p./mm. and m.p. picrate given): 3-MeOCH₂C₅H₄N, 92-4°/20, 117-18°; 4-MeOCH₂C₅H₄N, 91-2°/19, 108-9°. 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 SDS of cas: 148-51-6) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells.

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Hayden, Kathryn R.;Preisendanz, Heather E.;Elkin, Kyle R.;Saleh, Laura B.;Weikel, Jamie;Veith, Tamie L.;Elliott, Herschel A.;Watson, John E. published 《Comparison of POCIS and grab sampling techniques for monitoring PPCPs in vernal pools in central Pennsylvania》. The research results were published in《Science of the Total Environment》 in 2022.Name: 4-tert-Octylphenol The article conveys some information:

Active ingredients in pharmaceuticals and personal care products (PPCPs) can persist through wastewater treatment plants and be released into the environment where they can inadvertently pose risks to non-target organisms. Emerging contaminants (ECs), including PPCPs, are commonly detected in wastewater effluent. With the increasing beneficial re-use of treated wastewater globally, there is a need to understand how spray-irrigation activities affect the occurrence and persistence of ECs in the environment to which they are introduced. Here, we explore the impacts of wastewater spray-irrigation on nearby ephemeral wetlands (e.g., vernal pools) through the use of grab and Polar Organic Chem. Integrative Sampling (POCIS) techniques. This study sought to determine whether integrative sampling techniques are better suited than traditional grab sampling techniques in assessing the presence and concentrations of ECs in vernal pools by evaluating 34 ECs in six vernal pools in central Pennsylvania. Three pools were impacted by wastewater spray-irrigation activities and three were in a nearby forested area. Results of this study found that POCIS detected a wide range of 25 ECs (log Kow between -2.6 and 9.37) more or, in some cases, equally frequently, relative to grab samples. Addnl., grab samples were found to best capture short-lived elevated inputs of ECs (from irrigation events) while POCIS were found to best capture ECs that were present in vernal pools over a longer period of time (weeks to months). For ECs detected more frequently in grab samples, concentrations were higher compared to time weighted average aqueous concentrations estimated from POCIS. This study advances understanding of the potential impact of wastewater beneficial reuse on vernal pools and informs how best to monitor the presence of ECs in vernal pools using integrative and grab sampling techniques. The experimental procedure involved many compounds, such as 4-tert-Octylphenol (cas: 140-66-9) .

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

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Ayya Swamy P, Chinna;Varenikov, Andrii;de Ruiter, Graham published 《Direct Asymmetric Hydrogenation and Dynamic Kinetic Resolution of Aryl Ketones Catalyzed by an Iridium-NHC Exhibiting High Enantio- and Diastereoselectivity》. The research results were published in《Chemistry – A European Journal》 in 2020.Safety of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol The article conveys some information:

A chiral iridium carbene-oxazoline catalyst that is able to directly and efficiently hydrogenate a wide variety of ketones such as 1-(4-fluorophenyl)ethan-1-one, hex-5-en-2-one, 2-methyl-1-tetralone, etc. in excellent yields and good enantioselectivity (up to 93% ee) is reported. Moreover, when using racemic α-substituted ketones R¹C(O)CH(CH₃)S(O)₂R² (R¹ = Ph, 4-fluorophenyl, 4-methoxyphenyl; R² = morpholin-4-yl, piperidin-1-yl, pyrrolidin-1-yl), excellent diastereoselectivities were obtained (1S,2S)-R¹CH(OH)CH(CH₃)S(O)₂R² (dr 99:1) by dynamic kinetic resolution of the in situ formed enolate. Overall, the herein described hydrogenation occurs under ambient conditions using low hydrogen pressures, providing a direct and atom efficient method towards chiral secondary alcs. such as (S)-1-(4-fluorophenyl)ethanol, (S)-hex-5-en-2-ol, (1S,2S)-2-methylcyclohexanol, etc. The experimental procedure involved many compounds, such as 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 Safety of rel-(1R,2S)-1,2-Diphenylethane-1,2-diol) 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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Category: alcohols-buliding-blocks《Study of differences among different prune varieties and producing areas in prune aroma components》 was published in 2021. The authors were Zhang, Ding-jie;Hu, Chao;Zhu, Yuan-yang;Yang, Long-yan;Hu, Zhi-zhong;Song, Ling-yong;Liang, Miao;Zhang, Jun-song, and the article was included in《Shipin Yanjiu Yu Kaifa》. The author mentioned the following in the article:

To study differences in aroma contributing components among different prune varieties, four prune variants from different growing locations were used as the research object. Simultaneous distillation and extraction followed by gas chromatog.-mass spectrometry (GC-MS) were used to chem. assess their aromas. Aroma contributory components were identified and analyzed, and differences in the aroma contributing components among the different prune varieties and producing areas were compared via principal component anal. and cluster anal. The prune aroma components from different varieties and origins include aldehydes, acids, alcs., ketones, esters, olefins, phenols and nitrogen-containing heterocyclic compounds, among which, aldehydes were the most highly represented. Striking differences were observed in characteristic aroma component contents. Principal component and cluster analyses showed that variety impacts differences in prune aroma components relatively strongly. And 2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) was used in the research process.

Category: alcohols-buliding-blocks2,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .

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Computed Properties of C14H14O2《A mild access to chiral syn 1,2-diaryl glycols by stereoselective ring opening of ortho substituted trans 2,3-diaryl-oxiranes using Amberlyst 15 in H₂O/THF system》 was published in 2015. The authors were Lupattelli, Paolo;Chiummiento, Lucia;Funicello, Maria;Tramutola, Francesco;Marmo, Antonella;Gliubizzi, Natascia;Tofani, Daniela, and the article was included in《Tetrahedron》. The author mentioned the following in the article:

Amberlyst 15 was an efficient and green catalyst for the reaction of 2,3-diaryloxiranes with H₂O in organic co-solvent to prepare glycols in high yield. Ortho substituted trans 2,3-diaryloxiranes afforded the corresponding syn glycols stereo- and enantiospecifically. Stereoselectivity appeared related to the coordination ability of the substituents, irresp. of their electronic properties. Indeed o-OCH₃ and o-OBn substituted syn glycols were obtained in high stereochem. ratios (6/1 and 10/1, resp.), and o-OTIPS and o-NO₂ substituted ones were obtained as exclusive products, with the same ee of the parent epoxides.rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) were involved in the experimental procedure.

rel-(1R,2S)-1,2-Diphenylethane-1,2-diol(cas: 579-43-1 Computed Properties of C14H14O2) has been used in the preparation of trans-methyl meso-hydrobenzoin phosphite.

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Du, Zong-Da;Cui, Yuan-Yuan;Yang, Cheng-Xiong;Yan, Xiu-Ping published 《Synthesis of magnetic amino-functionalized microporous organic network composites for magnetic solid phase extraction of endocrine disrupting chemicals from water, beverage bottle and juice samples》. The research results were published in《Talanta》 in 2020.HPLC of Formula: 599-64-4 The article conveys some information:

In this work, the magnetic amino-functionalized microporous organic network composites (Fe₃O₄@MON-NH₂) were rational designed and facile synthesized for magnetic solid phase extraction (MSPE) of endocrine disrupting chems. (EDCs), followed by their anal. with high-performance liquid chromatog. The incorporation of amino groups (hydrogen bonding sites) into hydrophobic MON-NH₂ networks led to their good enrichment for four typical EDCs bisphenol A (BPA), 4-alpha-cumylphenol (4-α-CP), 4-tert-octylphenol (4-t-OP) and 4-nonylphenol (4-NP) relying on the pre-designed hydrogen bonding, π-π and hydrophobic interactions. The combination of MON-NH₂ shell and magnetic Fe₃O₄ core provided a fast extraction of BPA, 4-α-CP, 4-t-OP and 4-NP from matrix solution Under the optimal conditions, the developed method offered good linearity (R² > 0.990) in the range of 0.05-1000 μg L^-1, low limits of detection (S/N = 3) of 0.015-0.030 μg L^-1 and large enrichment factors of 172-197 for the studied EDCs. The maximum adsorption capacities of BPA, 4-α-CP, 4-t-OP and 4-NP were 124.1, 105.6, 116.6 and 117.9 mg g^-1, resp. The Fe₃O₄@MON-NH₂ gave larger selectivity for other polar phenols than non-polar polycyclic aromatic hydrocarbons, revealing the dominant role of hydrogen bonding interaction during the extraction and the potential of Fe₃O₄@MON-NH₂ for other polar phenols. The developed method was successfully applied for the anal. of EDCs in water, orange juice and beverage bottle samples with the recoveries of 80.3-109.5%. These results revealed the potential of functional MONs as efficient adsorbents in sample pretreatment. 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.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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Ye, Xianfeng;Chen, Yang;Ma, Shiyun;Yuan, Tian;Wu, Yaxuan;Li, Yingxuan;Zhao, Yuqiang;Chen, Shuying;Zhang, Yiwen;Li, Liuyan;Li, Zhoukun;Huang, Yan;Cao, Hui;Cui, Zhongli published 《Biocidal effects of volatile organic compounds produced by the myxobacterium Corrallococcus sp. EGB against fungal phytopathogens》. The research results were published in《Food Microbiology》 in 2020.HPLC of Formula: 2425-77-6 The article conveys some information:

Myxobacteria have excellent biocontrol activity against various phytopathogens due to their rich spectrum of secondary metabolites and active predatory characteristics. In this study, the mycelial growth of Fusarium oxysporum f. sp. cucumerinum (FOC) was found to be significantly inhibited by volatile compounds (VOCs) produced by Corallococcus sp. EGB. A total of 32 compounds were identified among the VOCs produced by strain EGB, of which isooctanol exhibited the highest antifungal activity, with dosages of 3.75 and 4.0μL/plate being sufficient to suppress FOC and Penicillum digitatum, resp. Isooctanol was found to damage the cell wall and cell membranes of FOC and P. digitatum. Apoptosis-like cell death of FOC and P. digitatum induced by isooctanol was observed subsequently due to the accumulation of reactive oxygen species (ROS). The transcription level of genes related to cell wall integrity (CWI) pathway and redox reactions were significantly upregulated by 15- to 40-fold, indicating the stress caused by isooctanol. Postharvest storage experiments showed that the disease severity of post-harvest oranges infected with P. digitatum could be significantly reduced by isooctanol at 114.2μL/L. The experimental procedure involved many compounds, such as 2-Hexyl-1-decanol (cas: 2425-77-6) .

2-Hexyl-1-decanol(cas: 2425-77-6) is a fatty acid that is found in the essential oils of plants and has been shown to have fungicidal properties.HPLC of Formula: 2425-77-6 It has also been shown to inhibit the growth of Candida glabrata when used as a cationic surfactant.

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