Tag: 200-300

Yagishita, Mayuko;Kubo, Takuya;Otsuka, Koji;Nakayama, Shoji F.;Nakajima, Daisuke published 《Development of a database strategy based on liquid chromatography-quadrupole time-of-flight mass spectrometry for the screening of 75 estrogenic chemicals from treated sewage effluent》 in 2021. The article was appeared in 《Separation Science plus》. They have made some progress in their research.Recommanded Product: 4-tert-Octylphenol The article mentions the following:

The detection of endocrine disrupting chems. such as estrogenic compounds in environmental samples is a hot topic of research. In this context, this study describes a new screening method for 75 estrogenic chems. from environmental water samples based on two databases built from the data obtained from liquid chromatog. with quadrupole time-of-flight mass spectrometry. A first database, named ”DATABASE I,” is constructed from the retention time and m/z of mol. weight-related ions with measured accurate mass of the 75 estrogenic chems. A second database, ”DATABASE II,” includes the collision-induced fragmentation spectra with measured accurate mass of the compounds These databases are resp. applied for a rough screening and precise identification of the estrogenic chems. of sewage effluents as follows: Step (1): A treated sewage effluent sample is subjected to anal. using the time-of-flight scan mode, and a rough screening using DATABASE I is performed. Step (2): The obtained candidate estrogenic chems. by step 1 are measured using the targeted tandem mass spectrometry mode in which collision energy dependence fragmentations of them are induced. The resulting fragmentation mass spectra are screened using DATABASE II. The application of these two databases improved the accuracy in the identification of estrogenic chems., reducing the risk of misidentification. The experimental procedure involved many compounds, such as 4-tert-Octylphenol (cas: 140-66-9) .

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).Recommanded Product: 4-tert-Octylphenol

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Duijndam, Britt;Goudriaan, Annabel;van den Hoorn, Tineke;van der Stel, Wanda;Le Devedec, Sylvia;Bouwman, Peter;van der Laan, Jan Willem;van de Water, Bob published 《Physiologically relevant estrogen receptor alpha pathway reporters for single-cell imaging-based carcinogenic hazard assessment of estrogenic compounds》 in 2021. The article was appeared in 《Toxicological Sciences》. They have made some progress in their research.Name: 4-(2-Phenylpropan-2-yl)phenol The article mentions the following:

Estrogen receptor alpha (ERα) belongs to the nuclear hormone receptor family of ligand-inducible transcription factors and regulates gene networks in biol. processes such as cell growth and proliferation. Disruption of these networks by chem. compounds with estrogenic activity can result in adverse outcomes such as unscheduled cell proliferation, ultimately culminating in tumor formation. To distinguish disruptive activation from normal physiol. responses, it is essential to quantify relationships between different key events leading to a particular adverse outcome. For this purpose, we established fluorescent protein MCF7 reporter cell lines for ERα-induced proliferation by bacterial artificial chromosome-based tagging of 3 ERα target genes: GREB1, PGR, and TFF1. These target genes are inducible by the non-genotoxic carcinogen and ERα agonist 17β-estradiol in an ERα-dependent manner and are essential for ERα-dependent cell-cycle progression and proliferation. The 3 GFP reporter cell lines were characterized in detail and showed different activation dynamics upon exposure to 17β-estradiol. In addition, they demonstrated specific activation in response to other established reference estrogenic compounds of different potencies, with similar sensitivities as validated OECD test methods. This study shows that these fluorescent reporter cell lines can be used to monitor the spatial and temporal dynamics of ERα pathway activation at the single-cell level for more mechanistic insight, thereby allowing a detailed assessment of the potential carcinogenic activity of estrogenic compounds in humans. 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.Name: 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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Ochoa, Cristian;Solinski, Amy E.;Nowlan, Marcus;Dekarske, Madeline M.;Wuest, William M.;Kozlowski, Marisa C. published 《A Bisphenolic Honokiol Analog Outcompetes Oral Antimicrobial Agent Cetylpyridinium Chloride via a Membrane-Associated Mechanism》 in 2020. The article was appeared in 《ACS Infectious Diseases》. They have made some progress in their research.Related Products of 579-43-1 The article mentions the following:

Targeting Streptococcus mutans is the primary focus in reducing dental caries, one of the most common maladies in the world. Previously, our groups discovered a potent bactericidal biaryl compound that was inspired by the natural product honokiol. Herein, a structure activity relationship (SAR) study to ascertain structural motifs key to inhibition is outlined. Furthermore, mechanism studies show that bacterial membrane disruption is central to the bacterial growth inhibition. During this process, it was discovered that analog C2 demonstrated a 4-fold better therapeutic index compared to the com. available antimicrobial cetylpyridinium chloride (CPC) making it a viable alternative for oral care. 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 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.

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Computed Properties of C14H14O2In 2019, Urata, Sari;Nojima, Shinya;Makino, Kazuishi;Shimada, Naoyuki published 《An Efficient Deprotection of 2,6-Bis(trifluoromethyl)phenylboronic Esters via Catalytic Protodeboronation Using Tetrabutylammonium Fluoride》. 《Synlett》published the findings. The article contains the following contents:

An efficient deprotection of 2,6-bis(trifluoromethyl)phenylboronic esters, which served as effective protective groups for 1,2- or 1,3-diols in various organic transformations, via protodeboronation by using a catalytic amount of tetrabutylammonium fluoride (TBAF) was described. The experimental procedure involved many compounds, such as rel-(1R,2S)-1,2-Diphenylethane-1,2-diol (cas: 579-43-1) .

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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Jia, Jialin;Liu, Dongmei;Wang, Songxue;Li, Huarui;Ni, Jiaxin;Li, Xiaobo;Tian, Jiayu;Wang, Qiao published 《Visible-light-induced activation of peroxymonosulfate by TiO₂ nano-tubes arrays for enhanced degradation of bisphenol A》. The research results were published in《Separation and Purification Technology》 in 2020.Reference of 4-(2-Phenylpropan-2-yl)phenol The article conveys some information:

TiO₂ photocatalysis and peroxymonosulfate (PMS) oxidation can exhibit a good performance in UV light but a less activity in visible light (VL). Herein, the TiO₂ nano-tubes arrays (TiO₂NTAs) and PMS were combined to degrade bisphenol A (BPA) under VL irradiation Surprisingly, about 94.6% of BPA was removed in TiO₂NTAs/PMS/VL system within 30 min, which was much higher than that of TiO₂NTAs/VL (20.1%) and PMS/VL (9.4%) systems. A series of spectroscopic characterizations and photoelectrochem. measurements confirmed the formation of PMS-TiO₂ complex with VL response, which can be excited by VL to transfer electrons to the conduction band (CB) of TiO₂ for activating PMS. The quenching tests and ESR (ESR) spectra indicated that SO^·-₄ and ·OH were responsible for BPA degradation, and then the possible degradation pathways of BPA were proposed. Humic acid (HA) and chloride ions (Cl^–) significantly enhanced the BPA degradation, while bicarbonate (HCO^–₃) and phosphate (H₂PO^–₄) exhibited an inhibition effect. Moreover, TiO₂NTAs/PMS/VL system displayed an enhanced BPA degradation in tap water and drinking water compared with deionized water, and as an immobilization catalyst which fabricated on Ti plate, TiO₂NTAs exhibited excellent stability and separability without complex catalyst separation/recovery processes. We believe this work will provide a new insight of the VL-induced photocatalytic PMS activation in practical water treatment. 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.Reference of 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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Cain, Caitlin N.;Trinklein, Timothy J.;Ochoa, Grant S.;Synovec, Robert E. published 《Tile-Based Pairwise Analysis of GC x GC-TOFMS Data to Facilitate Analyte Discovery and Mass Spectrum Purification》. The research results were published in《Analytical Chemistry (Washington, DC, United States)》 in 2022.Computed Properties of C16H34O The article conveys some information:

A new tile-based pairwise anal. workflow, termed 1v1 anal., is presented to discover and identify analytes that differentiate two chromatograms collected using comprehensive two-dimensional (2D) gas chromatog. coupled with time-of-flight mass spectrometry (GC x GC-TOFMS). Tile-based 1v1 anal. easily discovered all 18 non-native analytes spiked in diesel fuel within the top 30 hits, outperforming standard pairwise chromatog. analyses. However, eight spiked analytes could not be identified with multivariate curve resolution-alternating least-squares (MCR-ALS) nor parallel factor anal. (PARAFAC) due to background contamination. Analyte identification was achieved with class comparison enabled-mass spectrum purification (CCE-MSP), which obtains a pure analyte spectrum by normalizing the spectra to an interferent mass channel (m/z) identified from 1v1 anal. and subtracting the two spectra. This report also details the development of CCE-MSP assisted MCR-ALS, which removes the identified interferent m/z from the data prior to decomposition In total, 17 out of 18 spiked analytes had a match value (MV) > 800 with both versions of CCE-MSP. For example, MCR-ALS and PARAFAC were unable to decompose the pure spectrum of Me decanoate (MVs < 200) due to its low 2D chromatog. resolution (~0.34) and high interferent-to-analyte signal ratio (~30:1). By leveraging information gained from 1v1 anal., CCE-MSP and CCE-MSP assisted MCR-ALS obtained a pure spectrum with an average MV of 908 and 964, resp. Furthermore, tile-based 1v1 anal. was applied to track moisture damage in cacao beans, where 86 analytes with at least a 2-fold concentration change were discovered between the unmolded and molded samples. This 1v1 anal. workflow is beneficial for studies where multiple replicates are either unavailable or undesirable to save anal. time. The experimental procedure involved many compounds, such as 2-Hexyl-1-decanol (cas: 2425-77-6) .

2-Hexyl-1-decanol(cas: 2425-77-6) may be employed as an organic solvent to study the extraction of non-polar acidic drugs from human plasma by parallel artificial liquid membrane extraction (PALME). Computed Properties of C16H34O

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Baldwin, Austin K.;Corsi, Steven R.;Stefaniak, Owen M.;Loken, Luke C.;Villeneuve, Daniel L.;Ankley, Gerald T.;Blackwell, Brett R.;Lenaker, Peter L.;Nott, Michelle A.;Mills, Marc A. published 《Risk-Based Prioritization of Organic Chemicals and Locations of Ecological Concern in Sediment From Great Lakes Tributaries》. The research results were published in《Environmental Toxicology and Chemistry》 in 2022.COA of Formula: C14H22O The article conveys some information:

With improved anal. techniques, environmental monitoring studies are increasingly able to report the occurrence of tens or hundreds of chems. per site, making it difficult to identify the most relevant chems. from a biol. standpoint. For the present study, organic chem. occurrence was examined, individually and as mixtures, in the context of potential biol. effects. Sediment was collected at 71 Great Lakes (USA/Canada) tributary sites and analyzed for 87 chems. Multiple risk-based lines of evidence were used to prioritize chems. and locations, including comparing sediment concentrations and estimated porewater concentrations with established whole-organism benchmarks (i.e., sediment and water quality criteria and screening values) and with high-throughput toxicity screening data from the US Environmental Protection Agency′s ToxCast database, estimating additive effects of chem. mixtures on common ToxCast endpoints, and estimating toxic equivalencies for mixtures of alkylphenols and polycyclic aromatic hydrocarbons (PAHs). This multiple-lines-of-evidence approach enabled the screening of more chems., mitigated the uncertainties of individual approaches, and strengthened common conclusions. Collectively, at least one benchmark/screening value was exceeded for 54 of the 87 chems., with exceedances observed at all 71 of the monitoring sites. Chems. with the greatest potential for biol. effects, both individually and as mixture components, were bisphenol A, 4-nonylphenol, indole, carbazole, and several PAHs. Potential adverse outcomes based on ToxCast gene targets and putative adverse outcome pathways relevant to individual chems. and chem. mixtures included tumors, skewed sex ratios, reproductive dysfunction, hepatic steatosis, and early mortality, among others. The results provide a screening-level prioritization of chems. with the greatest potential for adverse biol. effects and an indication of sites where they are most likely to occur. 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.COA of Formula: C14H22O It has been shown to cause harm to vertebrate male reproductive systems.

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Guardian, Mary Grace E.;He, Ping;Bermudez, Alysson;Duan, Shuiwang;Kaushal, Sujay S.;Rosenfeldt, Erik;Aga, Diana S. published 《Optimized suspect screening approach for a comprehensive assessment of the impact of best management practices in reducing micropollutants transport in the Potomac River watershed》. The research results were published in《Water Research: X》 in 2021.Recommanded Product: 140-66-9 The article conveys some information:

The vast number of chems. potentially reaching aquatic environment pose a challenge in maintaining the quality of water resources. However, best management practices to improve water quality are typically focused on reducing nutrient transport without assessing how these practices may impact the occurrence of micropollutants. The potential for co-management of nutrients and organic micropollutants exists, but few studies have comprehensively evaluated the suite of contaminants associated with different water quality management practices (riparian zone restoration, stormwater management, etc.). Furthermore, most studies dealing with the determination of micropollutants in environmental samples include only a limited number of target analytes, leaving many contaminants undetected. To address this limitation, there has been a gradual shift in environmental monitoring from using target anal. to either suspect screening anal. (SSA) or non-targeted anal. (NTA), which relies on accurate mass measurements, mass spectral fragmentation patterns, and retention time information obtained using liquid chromatog. coupled to high-resolution mass spectrometry. The work presented in this paper focuses on a wide-scope detection of micropollutants in surface water samples from the Potomac River watershed (United States). An inhouse database composed of 1039 compounds based on exptl. anal. of primary standards was established, and SSA workflow was optimized and applied to determine the presence of micropollutants in surface water. A total of 103 micropollutants were detected in the samples, some of which are contaminants that were not previously monitored and belong to various classes such as pharmaceuticals, personal care products, per-and polyfluoroalkyl substances and other persistent industrial chems. The impact of best management practices being implemented for nitrogen and phosphorus reductions were also assessed for their potential to reduce micropollutant transport. This work illustrates the advantages of suspect screening methods to determine a large number of micropollutants in environmental samples and reveals the potential to co-manage a diverse array of micropollutants based on shared transport and transformation mechanisms in watersheds. 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.Recommanded Product: 140-66-9 It has been shown to cause harm to vertebrate male reproductive systems.

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Tan, Haoyue;Chen, Qinchang;Hong, Huixiao;Benfenati, Emilio;Gini, Giuseppina C.;Zhang, Xiaowei;Yu, Hongxia;Shi, Wei published 《Structures of Endocrine-Disrupting Chemicals Correlate with the Activation of 12 Classic Nuclear Receptors》. The research results were published in《Environmental Science & Technology》 in 2021.Quality Control of 4-(2-Phenylpropan-2-yl)phenol The article conveys some information:

Endocrine-disrupting chems. (EDCs) can inadvertently interact with 12 classic nuclear receptors (NRs) that disrupt the endocrine system and cause adverse effects. There is no widely accepted understanding about what structural features make thousands of EDCs able to activate different NRs as well as how these structural features exert their functions and induce different outcomes at the cellular level. This paper applies the hierarchical characteristic fragment methodol. and high-throughput screening mol. docking to comprehensively explore the structural and functional features of EDCs for the 12 NRs based on more than 7000 chems. from curated datasets. EDCs share three levels of key fragments. The primary and secondary fragments are associated with the binding of EDCs to four groups of receptors: steroidal nuclear receptors (SNRs, including androgen, estrogen, glucocorticoid, mineralocorticoid, and progesterone), retinoic acid receptors, thyroid hormone receptors, and vitamin D receptors. The tertiary fragments determine the activity type by interacting with two key locations in the ligand-binding domains of NRs (N-H5-H3-C and N-H7-H11-C for SNRs and N-H5-H5′-H2′-H3-C and N-H6′-H11-C for non-SNRs). The resulting compiled structural fragments of EDCs together with elucidated compound NR binding modes provide a framework for understanding the interactions between EDCs and NRs, facilitating faster and more accurate screening of EDCs for multiple NRs in the future. 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.Quality Control of 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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Recommanded Product: 4-tert-OctylphenolIn 2022, Jiang, Qunjiao;Liu, Runfeng;Liu, Tao;Liang, Jun;Wu, Yanan;Feng, Baoying;Liu, Shun;Li, Han;Pan, Dongxiang;Qiu, Xiaoqiang;Huang, Dongping published 《Relationship between exposure of alkylphenols in serum of pregnant women during early pregnancy and adverse birth outcomes》. 《Environmental Science and Pollution Research》published the findings. The article contains the following contents:

Alkylphenols are a type of endocrine disruptors, which are commonly found in personal care products, food, and water and are more harmful to the human body. To investigate the relationship between exposure of alkylphenols in serum of pregnant women during early pregnancy and adverse birth outcomes, a total of 2035 healthy pregnant women and their neonates were recruited in the birth cohort of Zhuang nationality in Guangxi from 2015 to 2018. The peripheral venous blood samples were collected from pregnant women in early pregnancy; the concentrations of nonylphenol (NP), 4-nonylphenol (4-N-NP), 4-tert-octylphenol (4-T-OP), and 4-n-octylphenol (4-N-OP) in serum were detected by ultra-performance liquid performance chromatog.-tandem mass spectrometry (UPLC-MS). Binary logistic regression showed that NP [OR = 1.40 (95% CI: 1.00, 1.94)] was pos. associated with preterm birth. Restricted cubic spline analyses showed that logNP and log4-T-OP had non-linearity associations with preterm birth (logNP: P_overall = 0.006, P_non-linear = 0.003; log4-T-OP: P_overall = 0.004, P_non-linear = 0.002). Multiple linear regression anal. showed that maternal serum concentration of NP was neg. associated with birth weight of perinatal infants (β = -14.68, 95% CI: -29.18, -0.19), which may be sensitive in male neonates (β = -26.18, 95% CI: -47.33, -5.02). The findings demonstrate that nonylphenol is a risk factor of preterm birth, and nonylphenol is neg. associated with the birth weight in male infants. The experimental procedure involved many compounds, such as 4-tert-Octylphenol (cas: 140-66-9) .

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).Recommanded Product: 4-tert-Octylphenol

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