Month: October 2022

Daff, Simon; Manson, Forbes D. C.; Reid, Graeme A.; Chapman, Stephen K. published the artcile< Strategic manipulation of the substrate specificity of Saccharomyces cerevisiae flavocytochrome b2>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is cytochrome b5 lactate dehydrogenase substrate specificity; Saccharomyces cytochrome b5 lactate dehydrogenase specificity.

Flavocytochrome b2 from Saccharomyces cerevisiae acts physiol. as an L-lactate dehydrogenase. Although L-lactate is its primary substrate, the enzyme is also able to utilize a variety of other (S)-2-hydroxy acids. Structural studies and sequence comparisons with several related flavoenzymes have identified the key active-site residues required for catalysis. However, the residues Ala-198 and Leu-230, found in the X-ray-crystal structure to be in contact with the substrate Me group, are not well conserved. The authors propose that the interaction between these residues and a prospective substrate mol. has a significant effect on the substrate specificity of the enzyme. In an attempt to modify the specificity in favor of larger substrates, three mutant enzymes have been produced: A198G, L230A and the double mutant A198G/L230A. As a means of quantifying the overall kinetic effect of a mutation, substrate-specificity profiles were produced from steady-state experiments with (S)-2-hydroxy acids of increasing chain length, through which the catalytic efficiency of each mutant enzyme with each substrate could be compared with the corresponding wild-type efficiency. The Ala-198 → Gly mutation had little influence on substrate specificity and caused a general decrease in enzyme efficiency. However, the Leu-230 → Ala mutation caused the selectivity for 2-hydroxyoctanoate over lactate to increase by a factor of 80.

Biochemical Journal published new progress about Enzyme kinetics. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Kisel, V. M.; Kovtunenko, V. A.; Tyltin, A. K.; Babichev, F. S. published the artcile< Imino(amino) derivatives of isoquino[2,3-a]quinazoline and dibenz[b,f]azocine>, Related Products of 112-63-0, the main research area is condensation bromomethylphenylacetonitrile anthranilonitrile solvent effect; benzeneacetonitrile bromomethyl condensation anthranilonitrile; isoquinoquinazoline; dibenzazocine.

o-BrCH2C6H4CH2CN condensed with o-H2NC6H4CN to give 49% isoquinoquinazolinimine I (Z = NH2+ Br-) (II) in refluxing MeNO2, 40% o-NCCH2C6H4CH2NRC6H4CN-o (III, R = H) (IV) in refluxing Me2CHOH containing NaOAc, and 34% isoquinolinium salt V in Me2CHOH at 70-75°. Refluxing II with 40% H2SO4 in EtOH gave 40.5% I (Z = O). Acetylating IV with AcCl in dioxane containing NaOAc gave 78% III (R = Ac), which underwent intramol. cycloaddition in refluxing Me3COH containing KOCMe3 to give 52% dibenzazocine VI.

Ukrainskii Khimicheskii Zhurnal (Russian Edition) published new progress about Condensation reaction. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

zur Borg, Lisa; Lee, Donggu; Lim, Jaehoon; Bae, Wan Ki; Park, Myeongjin; Lee, Seonghoon; Lee, Changhee; Char, Kookheon; Zentel, Rudolf published the artcile< The effect of band gap alignment on the hole transport from semiconducting block copolymers to quantum dots>, Reference of 71195-85-2, the main research area is bandgap alignment hole transport semiconducting copolymer quantum dot LED.

Semiconducting hole transporting block copolymers were chem. modified to adjust their energy levels to that of CdSe/CdS/CdZnS red quantum dots. Hybrids with optimized energy levels could be used to build strongly improved quantum dot based LEDs (QLEDs).

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about Band gap. 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, Reference of 71195-85-2.

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

Liu, Lei; Lee, Wes; Youshaw, Cassandra R.; Yuan, Mingbin; Geherty, Michael B.; Zavalij, Peter Y.; Gutierrez, Osvaldo published the artcile< Fe-catalyzed three-component dicarbofunctionalization of unactivated alkenes with alkyl halides and Grignard reagents>, Category: esters-buliding-blocks, the main research area is alkylarylated compound chemoselective regioselective diastereoselective preparation; alkene alkylhalide Grignard reagent three component dicarbofunctionalization iron catalyst.

A highly chemoselective iron-catalyzed three-component dicarbofunctionalization of unactivated olefins with alkyl halides (iodides and bromides) and sp2-hybridized Grignard reagents was reported. The reaction operates under fast turnover frequency and tolerated a diverse range of sp2-hybridized nucleophiles, alkyl halides and unactivated olefins to yield the desired 1,2-alkylarylated products R1R2R3CCH2CHRCH2alkyl [R = Ph, 4-MePH, 2-naphthyl, etc.; R1 = H, Me; R2 = H, Me, Et; R3 = Me, Et, (CH2)2Ph, etc.; alkyl = n-hexyl, (CH2)2CH:CH, (CH2)2Ph, etc.] with high regiocontrol. Further, this protocol was amenable for the synthesis of new (hetero)carbocycles including tetrahydrofurans and pyrrolidines such as I [Ar = 3-MeOPh, 2-MePH, 3-thienyl, etc.; X = O] via a three-component radical cascade cyclization/arylation that forges three new C-C bonds was also demonstrated.

Chemical Science published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 151259-38-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H19NO2, Category: esters-buliding-blocks.

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

Mishra, Jigni; Khan, Washim; Ahmad, Sayeed; Misra, Kshipra published the artcile< Supercritical carbon dioxide extracts of Cordyceps sinensis: chromatography-based metabolite profiling and protective efficacy against hypobaric hypoxia>, Product Details of C19H34O2, the main research area is Cordyceps sinensis hypobaric hypoxia carbon dioxide chromatog metabolite profiling; Cordyceps sinensis (Berk) Sacc.; GC-MS; HPTLC; hypobaric hypoxia (HH); metabolomics; supercritical fluid extract.

The toxicity and disposal concerns of organic solvents used in conventional extraction purposes has entailed the need for greener alternatives. Among such techniques, supercritical fluid extraction (SFE) has gained popularity by yielding extracts of high purity in a much faster manner. Carbon dioxide (CO2) is generally preferred as a supercritical solvent because of its lower temperature requirements, better diffusivity and easy removal. The present study describes the characterization of supercritical CO2 extracts of Indian variety of Cordyceps sinensis (CS)- a high-altitude medicinal mushroom widely revered in traditional medicine for its extensive anti-hypercholesterolemic, anti-inflammatory, anti-proliferative and energy-enhancing properties. Exptl. parameters viz. 300 and 350 bar of extraction pressure, 60°C of temperature, 0.4°L/h CO2 of flow rate and use of 1% (volume/volume) of ethanol as entrainer were optimized to prepare three different extracts namely, CSF1, CSF2 and CSF3. High-performance thin-layer chromatog. (HPTLC) was used for assessing the quality of all the extracts in terms of cordycepin, the pivot biomarker compound in CS. Characterization by HPTLC and GC-MS confirmed the presence of flavonoids and nucleobases and, volatile organic compounds (VOCs), resp. The chromatog. data acquired from metabolite profiling were subjected to chemometric anal. in an open source R studio which illustrated interrelatedness between CSF1 and CSF2 in terms of two major principal components. i.e. Dim 1 and Dim 2 whose values were 40.33 and 30.52% in variables factor map plotted using the HPTLC-generated retardation factor values. The factor maps based on retention times of the VOCs exhibited a variance of Dim 1 = 43.95% and Dim 2 = 24.85%. Furthermore, the extracts demonstrated appreciable antibacterial activity against Escherichia coli and Salmonella typhi by generation of reactive oxygen species (ROS), protein leakage and efflux pump inhibition within bacterial pathogens. CSFs were elucidated to be significantly cytoprotective (p < 0.05) in a simulated hypobaric hypoxia milieu (0.5% oxygen). CSF2 showed the best results by effectively improving the viability of human embryonic kidney (HEK 293) cells to 82.36 ± 1.76% at an optimum dose of 100 μg/mL. Levels of hypoxia inducible factor-1 alpha (HIF-1α) were modulated four-fold upon supplementation with CSF2. The results collectively evinced that the CSF extracts are substantially bioactive and could be effectively utilized as mycotherapeutics for multiple bioeffects. Frontiers in Pharmacology published new progress about Anti-inflammatory agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Barros, Jessica A. S.; Cavalcanti, Joao Henrique F.; Pimentel, Karla G.; Medeiros, David B.; Silva, Jose C. F.; Condori-Apfata, Jorge A.; Lapidot-Cohen, Taly; Brotman, Yariv; Nunes-Nesi, Adriano; Fernie, Alisdair R.; Avin-Wittenberg, Tamar; Araujo, Wagner L. published the artcile< The significance of WRKY45 transcription factor in metabolic adjustments during dark-induced leaf senescence>, COA of Formula: C19H34O2, the main research area is WRKY transcription factor metabolic adjustment dark leaf senescence; Arabidopsis thaliana; alternative pathways; energy depletion; mitochondria; transcription factor.

Plants are constantly exposed to environmental changes that affect their performance. Metabolic adjustments are crucial to controlling energy homoeostasis and plant survival, particularly during stress. Under carbon starvation, coordinated reprogramming is initiated to adjust metabolic processes, which culminate in premature senescence. Notwithstanding, the regulatory networks that modulate transcriptional control during low energy remain poorly understood. Here, we show that the WRKY45 transcription factor is highly induced during both developmental and dark-induced senescence. The overexpression of Arabidopsis WRKY45 resulted in an early senescence phenotype characterized by a reduction of maximum photochem. efficiency of photosystem II and chlorophyll levels in the later stages of darkness. The detailed metabolic characterization showed significant changes in amino acids coupled with the accumulation of organic acids in WRKY45 overexpression lines during dark-induced senescence. Furthermore, the markedly upregulation of alternative oxidase (AOX1a, AOX1d) and electron transfer flavoprotein/ubiquinone oxidoreductase (ETFQO) genes suggested that WRKY45 is associated with a dysregulation of mitochondrial signalling and the activation of alternative respiration rather than amino acids catabolism regulation. Collectively our results provided evidence that WRKY45 is involved in the plant metabolic reprogramming following carbon starvation and highlight the potential role of WRKY45 in the modulation of mitochondrial signalling pathways.

Plant, Cell & Environment published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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

Sasaki, Ryosuke; Tanabe, Yoo published the artcile< Chiral synthesis of methyl (R)-2-Sulfanylcarboxylic esters and acids with optical purity determination using HPLC>, Name: (S)-Dimethyl 2-hydroxysuccinate, the main research area is sulfanylcarboxylic ester acid preparation enantioselective cyclocondensation; thiazolidinone preparation diastereoselective; 2-sulfanylmandelic ester; 2-sulfanylsuccinic ester; HPLC analysis; SN2 inversion; drug discovery; process chemistry; thiazolidin-4-one; thiolactic acid.

Accessible chiral synthesis of 3 types of (R)-2-sulfanylcarboxylic esters and acids were performed: (R)-2-sulfanylpropanoic (thiolactic) ester (53%, 98% ee) and acid (39%, 96% ee), (R)-2-sulfanylsuccinic diester (59%, 96% ee) and (R)-2-mandelic ester (78%, 90% ee) and acid (59%, 96% ee). The present practical and robust method involves (i) clean SN2 displacement of methanesulfonates of (S)-2-hydroxyesters by using com. available AcSK with tris(2-[2-methoxyethoxy]ethyl)amine and (ii) sufficiently mild deacetylation. The optical purity was determined by the corresponding (2R,5R)-trans-thiazolidin-4-one and (2S,5R)-cis-thiazolidin-4-one derivatives based on accurate high-performance liquid chromatog. anal. with high-resolution efficiency. The Ti(O-i-Pr)4 catalyst promoted smooth trans-cyclocondensation of (R)-2-sulfanylcarboxylic esters with available N-(benzylidene)methylamine to afford (2R,5R)-trans-thiazolidin-4-ones under neutral conditions without any racemization, whereas (2S,5R)-cis-thiazolidin-4-ones were obtained via cis-cyclocondensation and no catalysts. Direct high-performance liquid chromatog. of Me (R)-mandelate was also performed; however, the resolution efficiency was inferior to that of the thaizolidin-4-one derivatizations.

Chirality published new progress about Cyclocondensation reaction. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Name: (S)-Dimethyl 2-hydroxysuccinate.

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

Versluis, Frank; Tomatsu, Itsuro; Kehr, Seda; Fregonese, Carlo; Tepper, Armand W. J. W.; Stuart, Marc C. A.; Ravoo, Bart Jan; Koning, Roman I.; Kros, Alexander published the artcile< Shape and Release Control of a Peptide Decorated Vesicle through pH Sensitive Orthogonal Supramolecular Interactions>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is protein peptide decorated vesicle cyclodextrin encapsulation.

A pH sensitive carrier is obtained by coating a cyclodextrin vesicle with an adamantane-terminated octapeptide through the formation of an inclusion complex. Upon lowering the pH from 7.4 to 5.0, the formation of peptide β-sheets on the vesicle surface induces a transition of the bilayer from a sphere to a fiber. This transition is fully reversible and repeatable. The vesicles release their cargo upon fiber formation.

Journal of the American Chemical Society published new progress about Conformational transition. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Kuz’min, Victor E.; Muratov, Eugene N.; Artemenko, Anatoly G.; Gorb, Leonid; Qasim, Mohammad; Leszczynski, Jerzy published the artcile< The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study>, Application of C19H34O2, the main research area is toxicity nitroarom HiT QSAR.

The present study applies the Hierarchical Technol. for Quant. Structure-Activity Relationships (HiT QSAR) for (i) evaluation of the influence of the characteristics of 28 nitroarom. compounds (some of which belong to a widely known class of explosives) as to their toxicity; (ii) prediction of toxicity for new nitroarom. derivatives; (iii) anal. of the effects of substituents in nitroarom. compounds on their toxicity in vivo. The 50% LD concentration for rats (LD50) was used to develop the QSAR models based on simplex representation of mol. structure. The preliminary 1D QSAR results show that even the information on the composition of mols. reveals the main tendencies of changes in toxicity. The statistic characteristics for partial least squares 2D QSAR models are quite satisfactory (R 2 = 0.96-0.98; Q 2 = 0.91-0.93; R 2 test = 0.89-0.92), which allows us to carry out the prediction of activity for 41 novel compounds designed by the application of new combinations of substituents represented in the training set. The comprehensive anal. of toxicity changes as a function of substituent position and nature was carried out. Mol. fragments that promote and interfere with toxicity were defined on the basis of the obtained models. It was shown that the mutual influence of substituents in the benzene ring plays a crucial role regarding toxicity. The influence of different substituents on toxicity can be mediated via different C-H fragments of the aromatic ring.

Journal of Computer-Aided Molecular Design published new progress about Aromatic nitro compounds Role: ADV (Adverse Effect, Including Toxicity), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Ait Belale, Rachid; M’hamdi Alaoui, Fatima Ezzahrae; Chhiti, Younes; Sahibeddine, Abdelaziz; Munoz Rujas, Natalia; Aguilar, Fernando published the artcile< Study on the thermophysical properties of waste cooking oil biodiesel fuel blends with 1-butanol>, COA of Formula: C19H34O2, the main research area is waste cooking oil biodiesel fuel blend butanol thermophys property.

An Anton Paar vibrating tube densimeter HPM DMA calibrated with an uncertainty of ±0.7 kg·m-3 has been used for accurate measurements of liquid densities of waste cooking oil biodiesel (WCOB) and 1-butanol as pure fluids and binary liquid mixtures The densities measurements were performed at temperatures (298.15 K to 393.15 K) and pressures (0.1 MPa to 140 MPa) and showing an absolute deviation of less than 0.007 g/cm-3 compared to the literature data. Using these new exptl. data (908 points), excess molar volumes VE, isobaric thermal expansivity, αp, and isothermal compressibility, κT, have been calculated The Tait and PC-SAFT equations correlate successfully the densities with a small absolute average deviation (AAD), the PC-SAFT model performs very well in all concentration range with a global absolute average deviation (AAD) of 0.325% and for Tait equation a global absolute average deviation of 0.086% for each concentration PC-SAFT equation correlates satisfactorily the d. and shows that it can explain the same interactions between fluid mols. contrary to the Tait equation. Excess volumes values were calculated from the exptl. data and show a pos. parabolic shape in all composition range almost sym. in the fraction molar 0.5. Furthermore, VE values were fitted to the Redlich-Kister equation and showed satisfactory correlation with very small standard deviation values with a global of 4.23·10-5 cm3·mol-1.

Fuel published new progress about Binary mixtures, liquid. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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