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Carboxylic Acid - Crossref

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Last Updated: 10 January 2023

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Effect of immature tick-borne encephalitis virus particles on antiviral activity of 5-aminoisoxazole-3-carboxylic acid adamantylmethyl esters

The quest for small molecule antivirals targeting the flavivirus envelope protein E, particularly its u03b2-n -glucoside binding pocket, is a promising step forward in the development of TBEV infection. However, experimental testing of candidate antivirals may be complicated by small amounts and different forms of the protein E in the virus samples. During the replication cycle of flaviviruses, including mature, partially mature, and immature forms, as well as subviral particles lacking genomic RNA, Viral particles with different formulations and configurations of the protein E are produced. We obtained TBEV preparations that were characterized by RT -q PCR and evaluated in vivo and in vitro in the immature virus samples. In the presence of immature TBEV particles, we found that the antiviral activity of these compounds in plaque reduction assay is dramatically reduced.

Source link: https://doi.org/10.1099/jgv.0.001658


Synthesis of enantiomerically pure 2-aryloxy carboxylic acids and their derivatives

The key preparation methods of the enantiomers of 2-aryloxy carboxylic acids are summarized in the most recent publications, as well as a comparative review of the procedures. In a separate Section, data on the chemical determination of racemic mixtures of the title compounds are discussed. paraphrasedhydroxy carboxylic acids are shown by biologically active derivatives. 2-aryloxy carboxylic acids are also present in this series.

Source link: https://doi.org/10.1070/rcr4893


Alkali consumption of aliphatic carboxylic acids during alkaline pulping of wood and nonwood feedstocks

Abstract: The carbohydrate degradation products were investigated, which are produced during the traditional kraft pulping of a softwood, hardwoods, bamboo, and wheat straw, as well as soda and soda-anthraquinone pulping of wheat straw. The acid fraction in the black liquors of softwood, hardwood, and nonwood feedstocks showed significant variations. Based on o. d. , the actual amount of volatile and hydroxy acids created during pulping was anywhere from 78 to n -1. It was the highest in birch kraft pulping but lowest in wheat soda-anthraquinone pulping.

Source link: https://doi.org/10.1515/hf-2012-0143


Esterification of carboxylic acids on cellulosic material: Solid state reactions

Even after reaction times as short as 5 min, the results revealed that direct ester formation, without anhydride intermediate, occurs between carboxylic acids of suitable structure and cellulosic hydroxyls at 180° u00b0C. The 2-hydroxybutyric acid is the most effective in ester formation, followed by 2-ketobutyric acid and 3-hydroxybutyric acid. Hexanoic acid is less effective, and veratric acid does not produce any esters at all, according to Hexanoic acid. 2-ketobutyric acid is the most reactive compound at lower temperatures. One conclusion is that a hydroxyl or keto group in the b1 position of the carboxylic acids favors ester formation. 2-ketobutyric acid is receptive in two directions, and could therefore be a potential cross-linker, according to one of the structures. The ester formation of the monocarboxylic acids and the hydroxyl groups of cellulose was investigated by quantitative analysis by means of aminolysis and gas chromatography.

Source link: https://doi.org/10.1515/hf.2008.027


Theoretical studies on the pK~a~ values of perfluoroalkyl carboxylic acids

Abstract Computational experiments were carried out on a homologous chain peroxide chain peroxide, ab initio, density functional theory, and the CBS-Q//B3 method and several solvation schemes on a homologous series of straight chain carboxylic acids ranging from C1 to C-9 as well as monomethyl branched C7/C6 isomers. Despite the length and theoretical approaches used, the application of a computational thermodynamic cycle revealed no significant improvement in the estimated aqueous monomeric pKaa values between C1 and C9, with each having a relatively stable pKa of about 0 that is in accordance with earlier forecasts and recent experimental results. Perpetroalkyl chain helicity does not appear to result in an increase in monomeric PFCA pKaa values at chain lengths greater than 5.

Source link: https://doi.org/10.1038/npre.2010.3829.2


ADME/Tox WEB in silico predictions of longer chain perfluoroalkyl carboxylic acid pKa values are more accurate than other computational methods

The ADME/Tox WEB method for in silico pKa value estimations is more reliable than the PM6, SPARC, and COSMOtherm methods for the longer chain peroxylic acids, according to experts, and it could be a more accurate general acidity constant estimation strategy for these compounds.

Source link: https://doi.org/10.1038/npre.2009.2936.1


Congener specific organic carbon normalized soil and sediment-water partitioning coefficients for the C~1~ through C~8~ perfluoroalkyl carboxylic and sulfonic acids

Abstract Organic carbon normalized soil and sediment-water partitioning coefficients were estimated for all C1 through C8 perforation and sulfonic acid congeners. Both branched and linear C1 values were predicted using Koc values for both branched and linear C1 through C8 isoomers, according to SPARC and ALOGPS' limited experimental Koc dataset for the straight chain C7 through C10 PFCAs, C10 and C10 isomers, as well as C6 and C10 isomers. Variability in Koc values among the PFCA and PFSA congeners would eventually lead to an enrichment of more linear and longer chain isomers in organic matter fractions, resulting in shorter chain branched congeners. These equilibrium partitioning frameworks can be used to estimate K-oc values from octanol-water partitioning constants, according to a comparison of representative established quantitative structure property relationships for estimating Koc values from octanol-water partitioning constants for modeling PFCA and PFSA environmental fate processes.

Source link: https://doi.org/10.1038/npre.2009.3011.2


Estimated carboxylic acid ester hydrolysis rate constants for food and beverage aroma compounds

Abstract The Flavornet database contains aroma compounds that have been tested for potentially hydrolyzable carboxylic acid ester functionalities. Of the 738 aroma compounds listed in this database, 140 molecules contain carboxylic acid ester groups, which can be amenable to hydrolysis in a variety of food and beverage products. pH 8. 0, 1. 8 days to 470 years at pH 4. 8, 1. 8 days to 4. 2 years at pH 9. 5, and 26 minutes to 5. 1 years at pH 9. 0, respectively. The resulting hydrolytic half-lives also varied, from ten days to 370 years in pH 2. 8, 18 days to 470 years at pH 3. 9, 1. 8 days to 4. 6 years at pH 7. 0, 1. 2 days to 4. 7 years at pH 9. 0, ranging from ten years at pH 8. 0, 7. 0, from 1. 6, 7. 0, 6. 2, 7. 0, 2. 8, 6. 2, 4. 0, 6. 5, 4. 8, 5. 1 years at pH 6. 0, pH 9. 0, 6. 0, pH 5. 0, pH 8. 0, 4. 0, 7. 0, 5. 0, 4. 2, 6. 4, 5. 6, 7. 0, 6. 5, 6. 0, 4. 0, 5. 6, 7. 0, 7. 0, 7. 0, 7. 0, 8. 0, 8. 0, 7. 0, 6. 6, 7. 0, 6. 0, 8. 0, 6. 5, 6. 0, 7. 0, 6. 0, 4. 8, The results published herein emphasize the importance of considering abiotic hydrolysis and matrix pH when modeling the evolution of sensory characteristics for foods and beverages using carboxylic acid ester based aroma compounds.

Source link: https://doi.org/10.1038/npre.2011.6471.1


Modeling the hydrolysis of perfluorinated compounds containing carboxylic and phosphoric acid ester functions, alkyl iodides, and sulfonamide groups

The synthesis of fluorotelomer acrylates and phosphate esters, as well as the SN1 and SN2 hydrolysis reactions of fluorotelodides were estimated for temperature-dependent rate constants. Abiotic hydrolysis of monomeric FTAcrs may be a significant contributor to current environmental standards for fluorotelomer alcohols and peroxylic acids. The few experimental results on FTPE hydrolysis and computation estimates were found in a poor agreement, which necessitates more detailed experimental evidence before any further research could be conducted on these compounds or their perfolorosulfonamidophosphate ester analogs. Perfonamides seem unlikely to undergo abiotic hydrolysis at the S-N, C-S, or N-C linkages under environmentally friendly conditions, but a closer look at the possibility of S-N hydrolysis by intramolecular catalysis by ethanol and acetic acid amide substitutes warrants further investigation.

Source link: https://doi.org/10.1038/npre.2009.3728.1


Theoretical studies on the pK~a~ values of perfluoroalkyl carboxylic acids: Chain helicity

Monomeric pKaa' values of longer chain PFCAs are expected to increase with increasing chain length, and a relatively steady pKaa value of about 0 that is in good agreement with earlier estimates and new experimental findings. Perpetroalkyl chain helicity does not appear to have resulted in higher monomeric PFCA pKa values at chain lengths > 5 pers.

Source link: https://doi.org/10.1038/npre.2009.3829.1

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions

* Please keep in mind that all text is summarized by machine, we do not bear any responsibility, and you should always check original source before taking any actions