Month: November 2022

On November 10, 2022, Yang, Lyu; Li, Guanghui; He, Ying; Li, Yonghong; Tang, Zhenwu published an article.Category: esters-buliding-blocks The title of the article was Occurrence and distribution of organic ultraviolet absorbents in soils and plants from a typical industrial area in South China. And the article contained the following:

Organic UV absorbents (UVAs) have attracted increasing concern due to their ubiquity, bioaccumulation, and potential toxicity. However, available information on their occurrence and transfer in terrestrial environment is still extremely insufficient. In this study, we investigated twelve UVAs in the soils and five terrestrial plant species from a typical industrial area in South China, and found their total concentrations were 5.87-76.1 (median 13.1) and 17.9-269 (median 82.9) ng/g dry weight, resp. Homosalate was dominant in soils while benzophenone and octrizole were predominant in plants, likely due to their complex sources and bioaccumulation preferences. The bioaccumulation factors (BAFs) were further evaluated based on the ratios of UVA concentrations in plants and soils. The observed BAFs of UVAs were compound and species-specific, and most of them were much >1.0, indicating the chems. could be transferred from soils to plants. To the best of our knowledge, this is the first report of organic UVAs in field soil-plant systems, providing information that may improve our understanding of the bioaccumulability of these chems. in terrestrial environment and the associated risks. More studies are needed to investigate the transfer and bioaccumulation of such chems. in soils and terrestrial biota. The experimental process involved the reaction of 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate(cas: 6197-30-4).Category: esters-buliding-blocks

The Article related to organic uv absorbent toxicity bioaccumulation soil terrestrial ecosystem pollution, bioaccumulation factors, concentrations, organic ultraviolet absorbents, plant, soil, Fertilizers, Soils, and Plant Nutrition: Soil Pollution and other aspects.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Fraser, Robert R.; Raby, Bruce F. published an article in 1972, the title of the article was Substituent effect on geminal coupling constants in allylic methylene groups.Product Details of 37480-41-4 And the article contains the following content:

The geminal proton-proton coupling constants were determined for the allylic methylene protons in a series of selectively deuterated cyclohexene derivatives The effect of substituents β to the methylene group on 2J agrees with theoretical calculations Electron-withdrawing substituents cause a neg. shift and electron-donating substituents cause a pos. shift in 2J, the total variation being 2.9 Hz. This effect is larger than that exerted by para substituents in benzylic systems as would be expected for a more polarizable double bond. The 2J’s correlate poorly with the existing substituent parameters but correlate well with the shift of the olefinic protons adjacent to the double bond. This correlation is interpreted as evidence that the change in 2J is produced primarily by a resonance interaction of the substituent with the double bond resulting in a change in the hyperconjugative withdrawal of electrons from the adjacent methylene group. The experimental process involved the reaction of Methyl 1-methyl-4-oxocyclohexanecarboxylate(cas: 37480-41-4).Product Details of 37480-41-4

The Article related to substituent effect nmr allylic methylene, Physical Organic Chemistry: Spectral and Related Studies and other aspects.Product Details of 37480-41-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On January 21, 2020, Matta, Murali K.; Florian, Jeffry; Zusterzeel, Robbert; Pilli, Nageswara R.; Patel, Vikram; Volpe, Donna A.; Yang, Yang; Oh, Luke; Bashaw, Edward; Zineh, Issam; Sanabria, Carlos; Kemp, Sarah; Godfrey, Anthony; Adah, Steven; Coelho, Sergio; Wang, Jian; Furlong, Lesley-Anne; Ganley, Charles; Michele, Theresa; Strauss, David G. published an article.SDS of cas: 6197-30-4 The title of the article was Effect of sunscreen application on plasma concentration of sunscreen active ingredients: a randomized clinical trial. And the article contained the following:

A prior pilot study demonstrated the systemic absorption of 4 sunscreen active ingredients; addnl. studies are needed to determine the systemic absorption of addnl. active ingredients and how quickly systemic exposure exceeds 0.5 ng/mL as recommended by the US Food and Drug Administration (FDA). To assess the systemic absorption and pharmacokinetics of the 6 active ingredients (avobenzone, oxybenzone, octocrylene, homosalate, octisalate, and octinoxate) in 4 sunscreen products under single- and maximal-use conditions. Randomized clin. trial at a clin. pharmacol. unit (West Bend, Wisconsin) was conducted in 48 healthy participants. The study was conducted between Jan. and Feb. 2019. Participants were randomized to 1 of 4 sunscreen products, formulated as lotion (n = 12), aerosol spray (n = 12), nonaerosol spray (n = 12), and pump spray (n = 12). Sunscreen product was applied at 2 mg/cm2 to 75% of body surface area at 0 h on day 1 and 4 times on day 2 through day 4 at 2-h intervals, and 34 blood samples were collected over 21 days from each participant. The primary outcome was the maximum plasma concentration of avobenzone over days 1 through 21. Secondary outcomes were the maximum plasma concentrations of oxybenzone, octocrylene, homosalate, octisalate, and octinoxate over days 1 through 21. Among 48 randomized participants (mean [SD] age, 38.7 [13.2] years; 24 women [50%]; 23 white [48%], 23 African American [48%], 1 Asian [2%], and 1 of unknown race/ethnicity [2%]), 44 (92%) completed the trial. Geometric mean maximum plasma concentrations of all 6 active ingredients were greater than 0.5 ng/mL, and this threshold was surpassed on day 1 after a single application for all active ingredients. The overall maximum plasma concentrations for each active ingredient for each product formulation are shown in the table. The most common adverse event was rash, which developed in 14 participants. In this study conducted in a clin. pharmacol. unit and examining sunscreen application among healthy participants, all 6 of the tested active ingredients administered in 4 different sunscreen formulations were systemically absorbed and had plasma concentrations that surpassed the FDA threshold for potentially waiving some of the addnl. safety studies for sunscreens. These findings do not indicate that individuals should refrain from the use of sunscreen. The experimental process involved the reaction of 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate(cas: 6197-30-4).SDS of cas: 6197-30-4

The Article related to sunscreens plasma concentration pharmacokinetics, Pharmacology: Drug Interactions and General Pharmacology and other aspects.SDS of cas: 6197-30-4

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On March 31, 2020, Xing, Xiangyang; Han, Xue; He, Lei; Cheng, Jiali; Zhong, Fuyong; Sun, Jiazheng; Tang, Zhenwu published an article.Application In Synthesis of 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate The title of the article was Organic ultraviolet-absorbing materials in street dust from Hefei, China: Concentrations, profiles, and human health risks. And the article contained the following:

Organic UV absorbents (UVAs) are widely found in the environment. However, little is known about UVA distributions in street dust and the risks they pose to human health. We determined the concentrations of 12 UVAs in street dust from cultural, residential, traffic, and industrial areas in Hefei, China. 4-Methylbenzylidene camphor was not detected in the street dust samples. The total concentration range of the 11 other UVAs (S11UVAs) in the street dust samples was 6.42-94.2 ng/g. Octocrylene was the dominant UVA, contributing 53.8% of the S11UVA concentrations The UVA concentrations were higher in dust from the industrial area than in dust from cultural, residential, and traffic areas. Source anal. was performed, and industrial activities and the use of cosmetics and personal care products were found to be the main sources of UVAs in street dust. The health risks posed to humans exposed to UVAs in street dust in Hefei were generally low. More research is required to improve our understanding of the health risks posed to humans exposed to UVAs through other pathways. The experimental process involved the reaction of 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate(cas: 6197-30-4).Application In Synthesis of 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate

The Article related to human health risk organic uv absorbing material street dust, Air Pollution and Industrial Hygiene: Industrial Hygiene and other aspects.Application In Synthesis of 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On January 31, 1978, Fujisawa, S.; Imai, Y.; Kojima, K.; Masuhara, E. published an article.Related Products of 1985-51-9 The title of the article was Studies on hemolytic activity of bisphenol A diglycidyl methacrylate (BIS-GMA). And the article contained the following:

To clarify the high hemolytic activity of Bis-GMA (I) [1565-94-2], the molar concentrations production 50% hemolysis (H50) and the partition coefficient in octanol-water were determined using I and various types of methacrylates. The strong hemolytic potency of I is probably due to the high hydrophobic nature of the compound The experimental process involved the reaction of 2,2-Dimethylpropane-1,3-diyl bis(2-methylacrylate)(cas: 1985-51-9).Related Products of 1985-51-9

The Article related to dental methacrylate resin hemolysis, glycidyl methacrylate hemolysis, Pharmacodynamics: Effects On Test Systems and Nonmammals and other aspects.Related Products of 1985-51-9

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mohr, Margaret A.; Wong, Angela M.; Sukumar, Gauthaman; Dalgard, Clifton L.; Hong, Weizhe; Wu, T. John; Wu, Ye Emily; Micevych, Paul E. published an article in 2021, the title of the article was RNA-sequencing of AVPV and ARH reveals vastly different temporal and transcriptomic responses to estradiol in the female rat hypothalamus.Recommanded Product: Oxybis(ethane-2,1-diyl) bis(2-methylacrylate) And the article contains the following content:

In females, estrogens have two main modes of action relating to gonadotropin secretion: pos. feedback and neg. feedback. Estrogen pos. and neg. feedback are controlled by different regions of the hypothalamus: the preoptic area/anterior portion (mainly the anteroventral periventricular nucleus, AVPV) of the hypothalamus is associated with estrogen pos. feedback while the mediobasal hypothalamus (mainly the arcuate nucleus of the hypothalamus, ARH), is associated with estrogen neg. feedback. In this study, we examined the temporal pattern of gene transcription in these two regions following estrogen treatment. Adult, ovariectomized, Long Evans rats received doses of estradiol benzoate (EB) or oil every 4 days for 3 cycles. On the last EB priming cycle, hypothalamic tissues were dissected into the AVPV+ and ARH+ at 0 h (baseline/oil control), 6 h, or 24 h after EB treatment. RNA was extracted and sequenced using bulk RNA sequencing. Differential gene anal., gene ontol., and weighted correlation network anal. (WGCNA) was performed. Overall, we found that the AVPV+ and ARH+ respond differently to estradiol stimulation. In both regions, estradiol treatment resulted in more gene up-regulation than down-regulation. S100g was very strongly up-regulated by estradiol in both regions at 6 and 24 h after EB treatment. In the AVPV+ the highest number of differentially expressed genes occurred 24 h after EB. In the ARH+, the highest number of genes differentially expressed by EB occurred between 6 and 24 h after EB, while in the AVPV+, the fewest genes changed their expression between these time points, demonstrating a temporal difference in the way that EB regulates transcription these two areas. Several genes strongly implicated in gonadotropin release were differentially affected by estradiol including Esr1, encoding estrogen receptor-α and Kiss1, encoding kisspeptin. As an internal validation, Kiss1 was up-regulated in the AVPV+ and down-regulated in the ARH+. Gene network anal. revealed the vastly different clustering of genes modulated by estradiol in the AVPV+ compared with the ARH+. These results indicate that gene expression in these two hypothalamic regions have specific responses to estradiol in timing and direction. The experimental process involved the reaction of Oxybis(ethane-2,1-diyl) bis(2-methylacrylate)(cas: 2358-84-1).Recommanded Product: Oxybis(ethane-2,1-diyl) bis(2-methylacrylate)

The Article related to estradiol rat hypothalamus avpv arh rna sequencing temporal transcriptomics, Mammalian Biochemistry: Classical Genetics and Phylogeny and other aspects.Recommanded Product: Oxybis(ethane-2,1-diyl) bis(2-methylacrylate)

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On February 9, 1999, Kawata, Mitsuyasu; Morimune, Kosuke; Takewaki, Shunichi; Miyake, Shirou; Yamaguchi, Yuki; Beppu, Yoshinori published a patent.Category: esters-buliding-blocks The title of the patent was Immunoassay of oxamyl, and haptens, their conjugates, and hybridomas for production of antibodies to oxamyl. And the patent contained the following:

Me2NCOC(SMe):NOCONH(CH2)lCO2H (I; l = 6-15), Me2NCOC(SMe):NOCONHR1CO2H [R1 = CH2A (A = cyclohexyl), cyclohexylene, CH2C6H4, C6H4, which may be substituted with 1-2 halo, C1-3 alkyl], Me2NCOC(SMe):NOR2CO2H [II; R2 = (CH2)m (m = 1-3), CH2CONH(CH2)n (n = 1-5), CO(CH2)o (o = 1-5)], or Me3CC(CH2SR3):NOCONH(CH2)pCO2H (R3 = C1-6 alkyl; p = 1-10) are useful as haptens to produce antibodies or their fragments specific to oxamyl (III). The antibodies, their fragments, and conjugates of the haptens with macromols. or labeling agents are useful for immunoassay of III. Hybridomas producing monoclonal antibodies are also claimed. Mouse was immunized with I (l = 5) (preparation given) conjugated with keyhole limpet hemocyanin by the conventional method. Splenic cells of the mouse was fused with myeloma cells to give hybridomas producing a monoclonal antibody OXM6-8. ELISA for III was performed using a microtiter plate coated with OXM6-8 and HRP-labeled II [R2 = CO(CH2)4]. The system was highly specific to III. The experimental process involved the reaction of tert-Butyl 4-((((benzyloxy)carbonyl)amino)methyl)benzoate(cas: 220851-46-7).Category: esters-buliding-blocks

The Article related to oxamyl immunoassay antibody production hapten preparation, hybridoma monoclonal antibody oxamyl immunoassay, Agrochemical Bioregulators: Methods (Including Analysis) and other aspects.Category: esters-buliding-blocks

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On July 15, 2020, Uto, Takuya; Nakamura, Shota; Yamamoto, Kazuya; Kadokawa, Jun-ichi published an article.Application In Synthesis of (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate The title of the article was Evaluation of artificial crystalline structure from amylose analog polysaccharide without hydroxy groups at C-2 position. And the article contained the following:

In this study, we found that a new artificial crystalline structure was fabricated from an amylose analog polysaccharide without hydroxy groups at the C-2 position, i.e., 2-deoxyamylose. The polysaccharide with a well-defined structure was synthesized by facile thermostable α-glucan phosphorylase-catalyzed enzymic polymerization Powder X-ray diffraction (XRD) anal. of the product indicated the formation of a specific crystalline structure that was completely different from the well-known double helix of the natural polysaccharide, amylose. Mol. dynamics simulations showed that the isolated chains of 2-deoxyamylose spontaneously assembled to a novel double helix based on building blocks with controlled hydrophobicity arising from pyranose ring stacking. The simulation results corresponded with the XRD patterns. The experimental process involved the reaction of (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate(cas: 2873-29-2).Application In Synthesis of (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate

The Article related to polysaccharide amylose crystalline structure mol dynamics simulation, amylose, helical structures, molecular dynamics, polysaccharides, Industrial Carbohydrates: Starches and Their Derivatives and other aspects.Application In Synthesis of (2R,3S,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sivergin, Yu. M.; Usmanov, S. M.; Shashkova, V. T.; Berlin, A. A.; Selenev, Yu. V. published an article in 1976, the title of the article was Nuclear resonance investigations on the molecular mobility in oligoester acrylates and polymers derived from them.Computed Properties of 1985-51-9 And the article contains the following content:

Application of the theory of R. Kubo and K. Tomita (1954) to correlation times for α- and β’-relaxations in oligoester acrylates [1,3-propanediol bis(2-hydroxyethyl carbonate) dimethacrylate [60028-80-0], neopentylglycol bis(2-hydroxyethyl carbamate) dimethacrylate [54547-48-7], 2,2-bis(chloromethyl)-1,3-propanediol bis(2-hydroxyethyl carbonate) dimethacryalate [54547-50-1], neopentyl glycol dimethacrylate [1985-51-9]] and the corresponding polymers determined by NMR gave relatively low correlation values when compared with data from dielec. and mech. measurements. Application of the K.-T. theory is not justified, since is applies only to spherical mols. undergoing rotational Brownian movement, and not to 3-dimensional polymers. The experimental process involved the reaction of 2,2-Dimethylpropane-1,3-diyl bis(2-methylacrylate)(cas: 1985-51-9).Computed Properties of 1985-51-9

The Article related to relaxation oligoester methacrylate, nmr relaxation oligoester methacrylate, mobility oligoester methacrylate, acrylate oligoester relaxation, Synthetic High Polymers: Physical Properties Of Polymers and other aspects.Computed Properties of 1985-51-9

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

On February 1, 2020, Watanabe, Michiko; Sasaki, Takamitsu; Takeshita, Jun-ichi; Kushida, Madoka; Shimizu, Yuki; Oki, Hitomi; Kitsunai, Yoko; Nakayama, Haruka; Saruhashi, Hitomi; Ogura, Rui; Shizu, Ryota; Hosaka, Takuomi; Yoshinari, Kouichi published an article.Application of 517-23-7 The title of the article was Application of cytochrome P450 reactivity on the characterization of chemical compounds and its association with repeated-dose toxicity. And the article contained the following:

Repeated-dose toxicity (RDT) studies are one of the critical studies to assess chem. safety. There have been some studies attempting to predict RDT endpoints based on chem. substructures, but it remains very difficult to establish such a method, and a more detailed characterization of chem. compounds seems necessary. Cytochrome P450s (P450s) comprise multiple forms with different substrate specificities and play important roles in both the detoxification and metabolic activation of xenobiotics. In this study, we investigated possible use of P 450 reactivity of chem. compounds to classify the compounds A total of 148 compounds with available rat RDT test data were used as test compounds and subjected to inhibition assays against 18 human and rat P450s. Among the tested compounds, 82 compounds inhibited at least one P 450 form. Hierarchical clustering analyses using the P 450 inhibitory profiles divided the 82 compounds into nine groups, some of which showed characteristic chem. and biol. properties. Principal component analyses of the P 450 inhibition data in combination with the calculated chem. descriptors demonstrated that P 450 inhibition data were plotted differently than most chem. descriptors in the loading plots. Finally, association analyses between P 450 inhibition and RDT endpoints showed that some endpoints related to the liver, kidney and hematol. were significantly associated with the inhibition of some P450s. Our present results suggest that the P 450 reactivity profiles can be used as novel descriptors for characterizing chem. compounds for the investigation of the toxicity mechanism and/or the establishment of a toxicity prediction model. The experimental process involved the reaction of 3-Acetyldihydrofuran-2(3H)-one(cas: 517-23-7).Application of 517-23-7

The Article related to cytochrome chem compound repeated dose toxicity, chemical descriptors, cytochrome p450, enzyme inhibition, repeated-dose toxicity, toxicity prediction, Pharmacology: Drug Interactions and General Pharmacology and other aspects.Application of 517-23-7

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics