Category: alcohols-buliding-blocks

Ferreira de Lima, Nayana published the artcileIn vitro metabolic stress induced by nitazoxanide and flubendazole combination in Taenia crassiceps cysticerci, Recommanded Product: (S)-2-hydroxysuccinic acid, the main research area is Taenia crassiceps nitazoxanide flubendazole antiparasitic cysticercosis; Experimental cysticercosis; Flubendazole; Metabolism; Nitazoxanide.

Taenia crassiceps is often used as exptl. model for T. solium cysticercosis studies. Currently cysticercosis antiparasitic treatment is based on albendazole and praziquantel which may present side effects and parasitic resistance. The search for other antiparasitic drugs is necessary. Nitazoxanide (NTZ) and flubendazole (FLB) are broad spectrum antiparasitic drugs that present anti-cysticercosis effect. Metabolic analyses help to determine the impact of these drugs on parasites. The aim of this study was to determine the impact on the production and excretion of organic metabolites in T. crassiceps cysticerci after in vitro exposure to NTZ and FLB, isolated or in combination. T. crassiceps cysticerci were culture in RPMI medium and exposed to 10μg/mL of NTZ, 10μg/mL of FLB or 10μg/mL of NTZ +10μg/mL of FLB. 24 h after exposure, the parasites were chromatog. analyzed to determine the impact of these drugs on glycolysis, homolactic fermentation, tricarboxylic acid cycle, fatty acids oxidation and proteins catabolism. It was possible to determine that the drugs combination induced greater metabolic impact on cysticerci in comparison to the isolated drugs exposure. The drugs combination induced gluconeogenesis, metabolic acidosis, increase in tricarboxylic acid cycle and in proteins catabolism. While the NTZ isolated exposure induced metabolic acidosis and protein catabolism and the FLB isolate exposure induced gluconeogenesis and protein catabolism. These results show that the combination of drugs with different modes of action increase the antiparasitic effect and may be indicated as alternative cysticercosis treatments.

Experimental Parasitology published new progress about Cysticercosis. 97-67-6 belongs to class alcohols-buliding-blocks, name is (S)-2-hydroxysuccinic acid, and the molecular formula is C4H6O5, Recommanded Product: (S)-2-hydroxysuccinic acid.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zecevic, Damir E. published the artcileRational development of solid dispersions via hot-melt extrusion using screening, material characterization, and numeric simulation tools, HPLC of Formula: 64519-82-0, the main research area is drug solid dispersion extrusion.

Effective and predictive small-scale selection tools are inevitable during the development of a solubility enhanced drug product. For hot-melt extrusion, this selection process can start with a microscale performance evaluation on a hot-stage microscope (HSM). A batch size of 400 mg can provide sufficient materials to assess the drug product attributes such as solid-state properties, solubility enhancement, and phys. stability as well as process related attributes such as processing temperature in a twin-screw extruder (TSE). Prototype formulations will then be fed into a 5 mm TSE (∼1-2 g) to confirm performance from the HSM under addnl. shear stress. Small stress stability testing might be performed with these samples or a larger batch (20-40 g) made by 9 or 12 mm TSE. Simultaneously, numeric process simulations are performed using process data as well as rheol. and thermal properties of the formulations. Further scale up work to 16 and 18 mm TSE confirmed and refined the simulation model. Thus, at the end of the laboratory-scale development, not only the clin. trial supply could be manufactured, but also one can form a sound risk assessment to support further scale up even without decades of process experience. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association J Pharm Sci.

Journal of Pharmaceutical Sciences published new progress about Decomposition. 64519-82-0 belongs to class alcohols-buliding-blocks, name is (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, and the molecular formula is C12H24O11, HPLC of Formula: 64519-82-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hatano, Eduardo published the artcileEnvironmental decomposition of olefinic cuticular hydrocarbons of Periplaneta americana generates a volatile pheromone that guides social behaviour, Recommanded Product: n-Octanol, the main research area is Periplaneta americana volatile pheromone olefinic cuticular hydrocarbon environmental decomposition; American cockroach; Periplaneta americana; cuticular hydrocarbons; environmental reaction; habitat selection; pro-semiochemicals.

Once emitted, semiochems. are exposed to reactive environmental factors that may alter them, thus disrupting chem. communication. Some species, however, might have adapted to detect environmentally mediated breakdown products of their natural chems. as semiochems. We demonstrate that air, water vapor and UV radiation break down unsaturated cuticular hydrocarbons (CHCs) of Periplaneta americana (American cockroach), resulting in the emission of volatile organic compounds (VOCs). In behavioral assays, nymphs strongly avoided aggregating in shelters exposed to the breakdown VOCs from cuticular alkenes. The three treatments (air, water vapor, UV) produced the same VOCs, but at different time-courses and ratios. Fourteen VOCs from UV-exposed CHCs elicited electrophysiol. responses in nymph antennae; 10 were identified as 2-nonanone, 1-pentanol, 1-octanol, 1-nonanol, tetradecanal, acetic acid, propanoic acid, butanoic acid, pentanoic acid and hexanoic acid. When short-chain fatty acids were tested as a mix and a blend of the alcs. and aldehyde was tested as a second mix, nymphs exhibited no preference for control or treated shelters. However, nymphs avoided shelters that were exposed to VOCs from the complete 10-compound mix. Conditioned shelters (occupied by cockroaches with faeces and CHCs deposited on the shelters), which are normally highly attractive to nymphs, were also avoided after UV exposure, confirming that breakdown products from deposited metabolites, including CHCs, mediate this behavior. Our results demonstrate that common environmental agents degrade CHCs into behaviorally active volatile compounds that potentially may serve as necromones or epideictic pheromones, mediating group dissolution

Proceedings of the Royal Society B: Biological Sciences published new progress about Decomposition. 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

Guan, Qiyuan published the artcileRapid decomposition of epoxy resins via Raman spectrometry in combination with machine learning algorithms, Category: alcohols-buliding-blocks, the main research area is epoxy resins machine learning algorithm BADGE PETMP Raman spectrometry.

Epoxy resins are a group of important materials that have been used everywhere and development of new materials of this kind with optimal mech. properties from either bio-resources or industrial precursors has drawn great focus from scientists and engineers. By reacting different kinds of epoxy adhesives and curatives, massive kinds of epoxy resins with different characteristics are produced. Determination of original mixing ratio of epoxy adhesives and corresponding curatives of their curing products is useful in controlling and examining these materials. Here in this work, we described an efficient method based on Raman spectrometry and machine learning algorithms for rapid molar composition determination of epoxy resins. Original mixing ratio of epoxy adhesives and curatives could be calculated simply via Raman spectra of the products. Raman spectral data scanned during curing procedure was fed to random forest (RF) classification to calculate weights of Raman shift features and reduce data dimensionality, then spectral data of selected features were processed by partial least squares regression (PLSR) for model training and composition ratio determination It turned out that ratio predictions of our model fit well to their actual values, with a coefficient of determination (R2) of 0.9926, and a root mean squared error (RMSE) of 0.0305.

Journal of Bioresources and Bioproducts published new progress about Decomposition. 7575-23-7 belongs to class alcohols-buliding-blocks, name is Pentaerythritol tetra(3-mercaptopropionate), and the molecular formula is C17H28O8S4, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Zihao published the artcilePredictive deep learning models for environmental properties: the direct calculation of octanol-water partition coefficients from molecular graphs, Synthetic Route of 111-87-5, the main research area is octanol water partition coefficient deep learning model environmental property.

As an essential environmental property, the octanol-water partition coefficient (KOW) quantifies the lipophilicity of a compound and it could be further employed to predict toxicity. Thus, it is an indispensable factor that should be considered for screening and development of green solvents with respect to unconventional and novel compounds Herein, a deep-learning-assisted predictive model has been developed to accurately and reliably calculate log KOW values for organic compounds An embedding algorithm was specifically established for generating signatures automatically for mol. structures to express structural information and connectivity. Afterwards, the Tree-structured long short-term memory (Tree-LSTM) network was used in conjunction with signature descriptors for automatic feature selection, and it was then coupled with the back-propagation neural network to develop a deep neural network (DNN), which is used for modeling quantity structure-property relationship (QSPR) to predict log KOW. Compared with an authoritative estimation method, the proposed DNN-based QSPR model exhibited better predictive accuracy and greater discriminative power in terms of the structural isomers and stereoisomers. As such, the proposed deep learning approach can act as a promising and intelligent tool for developing environmental property prediction methods for guiding development or screening of green solvents.

Green Chemistry published new progress about Deep learning. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Synthetic Route of 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Xue, Zihan published the artcileStructure, thermal and rheological properties of different soluble dietary fiber fractions from mushroom Lentinula edodes (Berk.) Pegler residues, Recommanded Product: (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, the main research area is Lentinula soluble dietary fiber fraction structure thermal rheol property.

Four soluble dietary fiber subfractions were obtained via stepwise ethanol precipitation from Lentinula edodes byproducts (LESDF). The mol. weight distributions of these four LESDF subfractions were 6.43 × 107 Da, 6.25 × 106 Da, 1.58 × 105 Da and 2.50 × 104 Da, resp., and they exhibited different surface morphol. properties, particle size distribution, ζ-potential and apparent viscosity. Different structural features of LESDF subfractions were analyzed through monosaccharide composition, FT-IR, periodate oxidation and smith degradations These characteristics affected their thermal (TGA-DSC) properties and the rheol. properties of LESDF-containing doughs. Results indicated that the higher the mol. weight of LESDF products, the greater the loss of dietary fiber weight by degradation Meanwhile, LESDF-3 exhibited the most rheol. benefits and the possible repeating unit were investigated by 1D/2D NMR. It was found that addition of LESDF with medium mol. weight and high branching degree played an important role in improving dough elasticity.

Food Hydrocolloids published new progress about Dietary fiber. 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, Recommanded Product: (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Gurditta, Harsh published the artcileOptimisation of sweetener and bulking agent levels for the preparation of functional Chhana-murki, Safety of (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, the main research area is artificial sweetener bulking agent chhana murki.

A functional Chhana-murki (FCM) was formulated at laboratory scale using different levels of microcrystalline cellulose (MCC): inulin (fiber) blend (1:1), isomalt:lactitol (polyol) blend (1:1), gum arabic and sucralose by response surface methodol. (RSM) and sensory anal. The color and appearance, texture, flavor and overall acceptability scores increased by increasing the fiber level from 5 to 10% (weight/weight) and polyol level from 5 to 15% (weight/weight). The sweetness score increased significantly by increasing the sucralose level from 600 to 800 ppm (weight/weight). The optimized product had 738 ppm sucralose, 10% fiber, 15% polyol and 1.1% gum arabic.

International Journal of Dairy Technology published new progress about Dietary fiber. 64519-82-0 belongs to class alcohols-buliding-blocks, name is (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol, and the molecular formula is C12H24O11, Safety of (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-pentaol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wall, Kayley R. published the artcileGrilling temperature effects on tenderness, juiciness, flavor and volatile aroma compounds of aged ribeye, strip loin, and top sirloin steaks, Category: alcohols-buliding-blocks, the main research area is ribeye strip loin sirloin steak pyrazine tenderness juiciness temperature; Beef; Consumer; Grill; Pyrazine; Tenderness; Volatiles.

Ribeye, top loin, and top sirloin steaks were assigned a grilling temperature setting (177°C, 205°C, or 232°C) and consumer panel, Warner-Bratzler shear force, trained sensory panel, and GC/MS – olfactory analyses were performed. No differences (P > 0.05) in consumer overall, tenderness, juiciness, appearance, and flavor liking were detected among steak type or grill temperature Grill surface temperature had no effect (P > 0.05) on trained panel tenderness scores. Of the volatiles present during an aroma event, pyrazine compounds were most influenced by grill surface temperature The tenderness and juiciness of steaks grilled at differing temperatures were not perceived to be different by consumers; however, grilling temperature impacted the flavor of the final product by generating more pyrazine compounds Steaks in this study likely were too tender to have a grilling effect on tenderness, but selecting different grilling temperatures can be used to vary the amount of browning of steaks and/or to modify aroma volatile compounds

Meat Science published new progress about Dietary fiber. 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

Jia, Mengyun published the artcileStructural characteristics and functional properties of soluble dietary fiber from defatted rice bran obtained through Trichoderma viride fermentation, Application of (2R,3S,4S,5R)-2,3,4,5,6-Pentahydroxyhexanal, the main research area is Trichoderma fermentation soluble dietary fiber defatted rice bran.

Trichoderma viride was utilized to ferment the defatted rice bran (DRB), and soluble dietary fiber was prepared before and after fermentation, named as B-SDF and F-SDF, resp. Optimum fermentation conditions for yield of F-SDF were determined using response surface methodol. (RSM). The yield of F-SDF was significantly increased from 10.5 (weight/weight, %) to 33.4 (weight/weight, %) under the optimal conditions (inoculum size = 10%, pH = 5.8 and time = 41 h). Fourier transform IR spectroscopy (FTIR) demonstrated that both B-SDF and F-SDF had typical characteristics of the IR spectrum of polysaccharides, and X-ray diffraction (XRD) revealed they were mainly substances of amorphous structure. In addition, F-SDF showed looser structure by SEM (SEM) anal., increased mol. weight by high-performance gel permeation chromatog. (HPGPC) anal., and more complex monosaccharide composition by high-performance anion exchange chromatog. (HPAEC) anal. Furthermore, functional properties anal. showed that F-SDF exhibited higher water-holding capacity (WHC), oil-holding capacity (OHC), water solubility (WS) and cholesterol absorption capacity (CAC) than B-SDF. In summary, the present study suggested that SDF from defatted rice bran obtained through Trichoderma viride fermentation has a higher potential to be used as a functional ingredient in foods.

Food Hydrocolloids published new progress about Dietary fiber. 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

Ding, Ye published the artcilePredicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields, Safety of n-Octanol, the main research area is drug like mol partition coefficient Drude polarizable force field.

Abstract: The water-octanol partition coefficient is an important physicochem. property for small mol. drug design. Here, we report our participation in the SAMPL6 logP prediction challenge with free energy perturbation (FEP) calculations in the water phase and in the 1-octanol phase using Drude polarizable force fields. Root mean square error (RMSE) and mean absolute error (MAE) of our prediction are equal to 1.85 and 1.25 logP units. The errors are not evenly distributed. Out of eleven SAMPL6 solutes, FEP/Drude performed very badly on three mols. (deviations all larger than 2 logP units) but good on the remaining eight (deviations all less than 1 logP unit). We find while FEP converges well within one nanosecond in water, simulations in 1-octanol need much longer simulation time and possibly more independent runs for sampling. We also find out that 1-octanol, albeit being a non-polar solvent, still polarizes solute mols. and forms stable hydrogen bonds with them. At the end, we attempt to reweight FEP trajectories with QM/Drude calculations and discuss possible caveats in our simulation setup.

Journal of Computer-Aided Molecular Design published new progress about Dipole moment. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts