Author: tianli

Limpanuparb, Taweetham published the artcileAn in silico investigation of menthol metabolism, Related Products of alcohols-buliding-blocks, the main research area is menthol metabolism signaling glucuronic acid.

Prevalence of mentholated products for consumption has brought great importance to studies on menthol’s metabolic pathways to ensure safety, design more potent derivatives, and identify therapeutic benefits. Proposed pathways of (-)-menthol metabolism based on metabolites found exptl. in previous works by Yamaguchi, Caldwell & Farmer, Madyastha & Srivatsan and Hiki et al. were not in agreement. This in silico approach is based on the three in vivo studies and aims to resolve the discrepancies. Reactions in the pathways are conjugation with glucuronic acid/sulfate, oxidation to alc., aldehyde & carboxylic acid, and formation of a four-membered/five-membered ring. Gas-phase structures, standard Gibbs energies and SMD solvation energies at B3LYP/6-311++G(d,p) level were obtained for 102 compounds in the pathways. This study provides a more complete picture of menthol metabolism by combining information from three exptl. studies and filling missing links in previously published pathways.

PLoS One published new progress about Free energy. 42822-86-6 belongs to class alcohols-buliding-blocks, name is 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol, and the molecular formula is C10H20O2, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Qingsong published the artcileLiquid-liquid phase equilibrium and interaction exploration for separation 2-methoxy-phenol and water with different solvents, Recommanded Product: n-Octanol, the main research area is methoxy phenol water solvent liquid phase equilibrium.

To recover 2-methoxy-phenol in water, C5-C8 alkyl alcs. were selected as extractants to sep. water and 2-methoxy-phenol. The liquid-liquid equilibrium (LLE) data for water + 2-methoxy-phenol + {1-pentanol, 1-hexanol, 1-heptanol or 1-octanol} were explored in 303.2 K under 101.3 kPa. The extraction performance of four extractants was assessed through the distribution coefficient (D) and separation factor (S). Meanwhile, the NRTL and UNIQUAC models were used to correlate and fit the data to obtain regression parameters. Furthermore, the mixed surface anal. based on Gibbs energy topol. verified that the binary interaction parameters are consistent with the measured data. The LLE data were also predicted through the COSMO-UNIFAC model. The root mean square deviation (RMSD) of the three models do not exceed 0.0023, 0.0030, and 0.0234, resp., indicating that the NRTL and UNIQUAC models are suitable for the correlation of the studied system and the COSMO-UNIFAC model can be the way to predict the LLE data of the researched system within the scope of this work. In addition, the interaction and interaction energy between component mols. were studied through the DMol3 module.

Journal of Molecular Liquids published new progress about Free energy. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Deliang published the artcileA general linear free energy relationship for predicting partition coefficients of neutral organic compounds, Category: alcohols-buliding-blocks, the main research area is neutral organic compound free energy relationship partition coefficient QSPR; Computational chemistry; Hydrogen bonding capability; Linear free energy relationship; Partition coefficient; Physicochemical property; Quantitative structure-property relationship.

Predicting the effects of organic compounds on environments and biol. systems is an important objective for environmental chem. and human health. The logarithm (to base 10) of the n-octanol-water partition coefficient has been widely used to predict the mentioned properties. However, the suitability of this parameter for the purpose has been questioned, since the environments relating to the properties may be quite different from that of bulk n-octanol. In this study, we used a theor. derivation approach to develop a model for predicting the partition coefficients of solutes between water and an organic solvent that may be similar to n-octanol or quite different from it. Our model relies on solute descriptors that can be calculated based on solute structures. It was used to predict the n-octanol-water, hexadecane-water and chloroform-water partition coefficients of solutes. The calculated values of the examined parameters agreed well with their exptl. counterparts. The model can find application in the accurate prediction of the effects of organic compounds on environments and the physicochem. properties of organic compounds by a full in-silico approach and can provide useful guidance for improving some properties of organic compounds

Chemosphere published new progress about Free energy. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Dao, Vu H. published the artcileSynthesis of UHMW Star-Shaped AB Block Copolymers and Their Flocculation Efficiency in High-Ionic-Strength Environments, Related Products of alcohols-buliding-blocks, the main research area is star copolymer flocculation efficiency ionic strength environment.

The neg. effect of multivalent cations such as Ca2+ and Mg2+ on the flocculation efficiency of anionic polymeric flocculants has proven to be a difficult challenge to overcome in recent years. We hereby introduce a new series of ultrahigh mol. weight four-arm star-shaped AB block copolymers, with terminal anionic blocks and a neutral core comprising polyacrylic acid and polyacrylamide, resp. These polymers were successfully synthesized using a two-stage aqueous reversible addition-fragmentation chain transfer (RAFT) polymerization process with the aid of a four-arm star RAFT agent and a redox initiation pair of ammonium persulfate and sodium formaldehyde sulfoxylate. Once synthesized, these polymers were directly used for flocculation anal. where they were compared to a control statistical copolymer of similar mol. weight The control copolymer was designed to be representative of current com. flocculants where the anionic functionalities were distributed randomly along the polymer chain, where the neg. effects of multivalent cations are heightened. In comparison to the control copolymer, four-arm star-shaped AB block copolymers exhibited strong stability and flocculation efficiency across the three different Ca2+ concentrations (0.05, 0.10, and 0.50 M) employed. Fast settlement rates and low supernatant turbidities were obtained when four-arm star-shaped AB block copolymers were employed, while the flocculation efficiency of the control copolymer was impacted significantly with the increase in the concentration of Ca2+. With further optimization and anal., these polymers have a strong potential to be implemented in industrial applications of flocculation in the near future.

Macromolecules (Washington, DC, United States) published new progress about Flocculants. 7575-23-7 belongs to class alcohols-buliding-blocks, name is Pentaerythritol tetra(3-mercaptopropionate), and the molecular formula is C17H28O8S4, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kachholz, T. published the artcileDegradation of long chain alkanes by bacillus. I. Development and product formation by bacilli degrading alkanes in the presence of other carbon sources, SDS of cas: 58783-82-7, the main research area is Bacillus alkane oxidation; alc formation Bacillus alkane.

No Bacillus among 14 type strains and 100 soil isolates could assimilate C14-C18 alkanes as sole C source, although 5 type strains could oxidize alkanes in the presence of glucose. When grown with pure n-C13H28, or n-C14H30, the 5 strains gave mainly mixtures of the corresponding secondary alcs., with some ketone and small amounts of primary alcs. B. lentus oxidized C13H28 poorly compared to C14H30. B. stearothermophilus and B. macerans gave �0-fold more alcs. than the other species. The extracellular fatty acid composition of B. macerans changed when alkane was added to a glucose-based medium.

European Journal of Applied Microbiology published new progress about Fatty acids. 58783-82-7 belongs to class alcohols-buliding-blocks, name is 5-Tridecanol, and the molecular formula is C13H28O, SDS of cas: 58783-82-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wu, Wan-Lin published the artcileExpression regulation of MALATE SYNTHASE involved in glyoxylate cycle during protocorm development in Phalaenopsis aphrodite (Orchidaceae), Safety of (S)-2-hydroxysuccinic acid, the main research area is Phalaenopsis sucrose glyoxylate MLS protocorm development.

Abstract: Orchid (Orchidaceae) is one of the largest families in angiosperms and presents exceptional diversity in lifestyle. Their unique reproductive characteristics of orchid are attracted by scientist for centuries. One of the synapomorphies of orchid plants is that their seeds do not contain endosperm. Lipids are used as major energy storage in orchid seeds. However, regulation and mobilization of lipid usage during early seedling (protocorm) stage of orchid is not understood. In this study, we compared transcriptomes from developing Phalaenopsis aphrodite protocorms grown on 1/2-strength MS medium with sucrose. The expression of P. aphrodite MALATE SYNTHASE (PaMLS), involved in the glyoxylate cycle, was significantly decreased from 4 days after incubation (DAI) to 7 DAI. On real-time RT-PCR, both P. aphrodite ISOCITRATE LYASE (PaICL) and PaMLS were down-regulated during protocorm development and suppressed by sucrose treatment. In addition, several genes encoding transcription factors regulating PaMLS expression were identified. A gene encoding homeobox transcription factor (named PaHB5) was involved in pos. regulation of PaMLS. This study showed that sucrose regulates the glyoxylate cycle during orchid protocorm development in asymbiotic germination and provides new insights into the transcription factors involved in the regulation of malate synthase expression.

Scientific Reports published new progress about Fatty acids. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Safety of (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Lazar, Roxana Georgiana published the artcileMechanism, influencing factors exploration and modeling on the reactive extraction of 2-ketogluconic acid in presence of a phase modifier, Recommanded Product: n-Octanol, the main research area is modeling reactive extraction ketogluconate phase modifier.

Taking into account that limited research was carried out on the reactive extraction of 2-ketogluconic acid, this study was focused on analyzing the pH dependent extraction performance and the molar ratios of acid and extractant (Amberlite LA-2) dissolved in three solvents with 1-octanol as phase modifier. Back extraction was successfully performed using NaOH solutions The mechanism of the interfacial reaction in the presence of 1-octanol, pointed out that, indifferent of the pH value and solvent polarity, only one mol. of 2-ketogluconic acid and one of extractant react at the interface. The pos. effect of 1-octanol on extraction efficiency was quantified by the amplification factor, its maximum values being 2.43 for dichloromethane, 3.67 for Bu acetate and 3.64 for n-heptane. In addition, the process was modeled using statistical regression and Artificial Neural Networks (ANNs) determined with chaos based Differential Evolution algorithm. The best ANN model had a mean squared error for the testing phase of 0.19 and modeled the process with an acceptable error.

Separation and Purification Technology published new progress about Extractants. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Sun, Tingting published the artcilePhysicochemical properties and immunological activities of polysaccharides from both crude and wine-processed Polygonatum sibiricum, Application of (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, the main research area is Polygonatum polysaccharide wine processing immunol activity physicochem property; Immunological activity; Polygonatum sibiricum; Polysaccharide; Spleen deficiency; Wine-processing.

Polygonatum sibiricum (PS) is a traditional Chinese herb used in both food and medicine with great bioactivity. The wine-processed pieces of PS are the main form for clin. application, while research has focused on the polysaccharides of their crude form. This study evaluated the physicochem. properties and immunol. activities of water-soluble polysaccharides from both crude (PSPC) and wine-processed PS (PSPW). PSPC and PSPW had significant differences in their physicochem. properties. PSPC was mainly composed of galactose, mannose, glucose, and galacturonic acid, in molar ratios of 29.63:36.10:15.09:10.20, while PSPW was mainly composed of galactose, mannose, and galacturonic acid, in molar ratios of 78.77:5.50:13.84. Both kinds of polysaccharides can enhance the cells viability, phagocytic capacity, acid phosphatase activity, and NO production of RAW264.7 cells. We found that PSPC and PSPW enhanced the immune functions of the immunosuppressive model for spleen deficient mice and reversed the decline of the secretions of IL-2, IL-6, TNF-α, and IFN-γ to a normal range. The PSPW showed more potent immunol. activities than PSPC. The results of the study identify the importance of wine-processing for PS and provide application foundations for the further development of PSPW as a functional food.

International Journal of Biological Macromolecules published new progress about Erythrocyte. 59-23-4 belongs to class alcohols-buliding-blocks, name is (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, and the molecular formula is C6H12O6, Application of (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Balakrishnan, Bijina published the artcileNovel mRNA-Based Therapy Reduces Toxic Galactose Metabolites and Overcomes Galactose Sensitivity in a Mouse Model of Classic Galactosemia, Product Details of C6H12O6, the main research area is galactose GALT mutation fibroblast galactosemia; GALT; IEM; POI; ataxia; classic galactosemia; galactose toxicity; galactose-1 phosphate; galactose-1 phosphate uridylyltransferase; inborn errors of metabolism; mRNA therapy; primary ovarian insufficiency; speech dyspraxia.

Classic galactosemia (CG) is a potentially lethal inborn error of galactose metabolism that results from deleterious mutations in the human galactose-1 phosphate uridylyltransferase (GALT) gene. Previously, we constructed a GalT-/- (GalT-deficient) mouse model that exhibits galactose sensitivity in the newborn mutant pups, reduced fertility in adult females, impaired motor functions, and growth restriction in both sexes. In this study, we tested whether restoration of hepatic GALT activity alone could decrease galactose-1 phosphate (gal-1P) and plasma galactose in the mouse model. The administration of different doses of mouse GalT (mGalT) mRNA resulted in a dose-dependent increase in mGalT protein expression and enzyme activity in the liver of GalT-deficient mice. Single i.v. (i.v.) dose of human GALT (hGALT) mRNA decreased gal-1P in mutant mouse liver and red blood cells (RBCs) within 24 h with low levels maintained for over a week. Repeated i.v. injections increased hepatic GalT expression, nearly normalized gal-1P levels in liver, and decreased gal-1P levels in RBCs and peripheral tissues throughout all doses. Moreover, repeated dosing reduced plasma galactose by 60% or more throughout all four doses. Addnl., a single i.p. dose of hGALT mRNA overcame the galactose sensitivity and promoted the growth in a GalT-/- newborn pup.

Molecular Therapy published new progress about Erythrocyte. 59-23-4 belongs to class alcohols-buliding-blocks, name is (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, and the molecular formula is C6H12O6, Product Details of C6H12O6.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chen, Deliang published the artcileEffects of intramolecular hydrogen bonds on lipophilicity, Related Products of alcohols-buliding-blocks, the main research area is methoxyaniline bromophenol hydrogen bond lipophilicity drug design; Computational chemistry; Drug design; Hydrogen bonding capability; Intramolecular hydrogen bond; Lipophilicity; Partition coefficient; Physicochemical property.

Intramol. hydrogen bonds (IMHBs) affect the lipophilicity and physicochem. properties of small organic mols. and drug candidates. Considering IMHBs in drug design is an important strategy for improving the lipophilicity and physicochem. properties of drug candidates. However, how IMHBs affect the lipophilicity and partition coefficients are not well understood. Based on the relationship between the effect of IMHBs on the exptl. partition coefficients and the H-bonding capabilities of H-bond forming atoms, we explore how IMHBs affect water/n-octanol partition coefficients, water/chloroform partition coefficients, water/hexadecane partition coefficients and lipophilicity. We found that IMHBs may increase or decrease or have no effect on water/n-octanol partition coefficients, but always increase water/chloroform partition coefficients, water/hexadecane partition coefficients and lipophilicity. We introduced ΔHBC, which is the difference between the calculated and actual H-bonding capabilities of mols., for assessing the propensity of mols. to form IMHBs and the relative strengths of IMHBs. This study may help to improve the physicochem. properties of drug candidates and increase the success of drug design.

European Journal of Pharmaceutical Sciences published new progress about Drug design. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Related Products of alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts