Tag: M.W=50-100

Fischer, Rachel published the artcileAbraham model correlations for solute transfer into benzyl alcohol from both water and the gas phase, COA of Formula: C2H5NO, the main research area is organic compound solubility benzyl alcoho Abraham model.

Exptl. solubilities have been determined for anthracene, benzil, 2-chloroanthraquinone, 9-fluorenone, 2-hydroxybenzoic acid, 2-methoxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, phenothiazine, pyrene, and thioxanthen-9-one dissolved in benzyl alc. at 298.15 K. The measured solubility data, combined with previously published activity coefficient and solubility data, are used to determine Abraham model correlations for solute transfer to benzyl alc. from both water and from the gas phase. The derived Abraham model correlations were found to back-calculate the exptl. partition coefficients and solubility ratios to within 0.14 log units (or less).

Physics and Chemistry of Liquids published new progress about Melting point. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, COA of Formula: C2H5NO.

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

Fu, Yong published the artcilePhotocatalytic degradation of acetochlor by α-Fe2O3 nanoparticles with different morphologies in aqueous solution system, Application of N-Methylformamide, the main research area is iron oxide nanoparticle acetochlor photocatalytic degradation.

Photocatalytic degradation technol. is an important and promising method for complete elimination of toxic organics In this study, the photocatalytic degradation of acetochlor using α-Fe2O3 nanoparticles under H2O2/UV system was studied with UV-Vis spectrophotometer and GC-MS. The degradation rate was investigated on the effects of α-Fe2O3 morphol. and dosage, initial acetochlor concentration, solution pH, and H2O2 dosage. The results showed that photocatalytic degradation efficiency could reach 91% by α-Fe2O3 with 200 mg/L hollow morphol. at an initial acetochlor concentration, pH value, and H2O2 dosage of 50 mg/L, 7 and 40 μL, resp. The photocatalytic reaction mechanism and degradation process of acetochlor by α-Fe2O3 were investigated and the degradation pathway of acetochlor was proposed. The oxidative attack involves N-C bond connecting the aromatic ring with side chain, the nitrogen-containing side chain, chlorinated aliphatic to produce 1-methyl-3-ving-benzene, allyl-methyl-amine and 1-chloro-2-ethoxy-ethane. These intermediate products could be further oxidized to NO-3, CO2 and H2O. These findings provide new insights for the photocatalytic degradation of organic pollutants in the using α-Fe2O3 nanoparticles to achieve pollutant degradation

Optik (Munich, Germany) published new progress about Nanoparticles. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application of N-Methylformamide.

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

Bukenov, Bauyrzhan published the artcileQuantification of transformation products of rocket fuel unsymmetrical dimethylhydrazine in air using solid-phase microextraction, Name: N-Methylformamide, the main research area is transformation product rocket fuel unsym dimethylhydrazine air; solid phase microextraction; air sampling; solid-phase microextraction; transformation products; unsymmetrical dimethylhydrazines.

Quantification of unsym. dimethylhydrazine transformation products in ambient air is important for assessing the environmental impact of heavy rocket launches. There are little data of such analyses, which is mainly caused by the low number of analytes covered by the available anal. methods and their complexity. A simple and cost-efficient method for accurate simultaneous determination of seven unsym. dimethylhydrazine transformation products in air using solid-phase microextraction followed by gas chromatog.-mass spectrometry was developed. The method was optimized for air sampling and solid-phase microextraction from 20-mL vials, which allows full automation of anal. The extraction for 5 min by Carboxen/polydimethylsiloxane fiber from amber vials and desorption for 3 min provided the greatest analytes’ responses, lowest relative standard deviations, linear calibration (R2 ≥ 0.99), and limits of detection from 0.12 to 0.5μg/m3. Samples with concentrations 500μg/m3 can be stored at 21 ± 1° without substantial losses (1-11%) for up to 24 h, while air samples with concentrations 10 and 50μg/m3 stored for up to 24 h can be used for accurate quantification of only two and four out of seven analytes, resp. The developed method was successfully tested for the anal. of air above real soil samples contaminated with unsym. dimethylhydrazine rocket fuel.

Journal of Separation Science published new progress about Air analysis. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Name: N-Methylformamide.

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

Prabsangob, Nopparat published the artcileEffect of tea catechin derivatives on stability of soybean oil/tea seed oil blend and oxidative stability of fried fish crackers during storage, Application of N-Methylformamide, the main research area is soybean seed oil fried fish cracker catechin oxidative stability; (−)-Epicatechin; (−)-Epigallocatechin gallate; Deep frying; Fish crackers; Lipid oxidation; Soybean oil; Tea seed oil.

Effect of (-)-epigallocatechin gallate (EGCG) and (-)-epicatechin (EC) at different concentrations (100-300 ppm) on frying stability of soybean oil blended with tea seed oil was studied. Thermal stability of the blended oil increased with the addition of EGCG and EC, especially with increasing concentrations Frying induced degradation of tocopherols and phenolics of oils, particularly tocopherols. Incorporation of catechin derivatives could retard tocopherol decomposition and formation of polar materials. The highest frying stability was found for the oil added with EC at 300 ppm. When the oil added with EC (300 ppm) was used to prepare fish crackers, lowered lipid oxidation of the resulting crackers than those prepared using the control oil was noted throughout 12 wk of storage. EC could be effectively used as natural antioxidant in frying oil with carry through effect to enhance oxidation stability of the fried foods during a storage.

Food Science and Biotechnology published new progress about Autoxidation. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Application of N-Methylformamide.

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

Carbonell-Hermida, Paloma published the artcileNecessity of imposing total miscibility for certain binary pairs in LLE data correlations, Recommanded Product: N-Methylformamide, the main research area is certain binary pair LLE data correlation total miscibility.

Liquid-liquid equilibrium (LLE) data correlation of multicomponent mixtures is frequently carried out without using any procedure to ensure that the model parameters obtained for the totally miscible binary mixtures are consistent with such behavior (i.e. they do not lead to two liquid phases in equilibrium). In other words, the behavior of the model beyond the LLE region fitted (exptl. tie-lines) is not usually considered in LLE correlations. It seems to be wrongly assumed that the mere absence of tie-lines data in totally miscible regions should guarantee that the parameters resulting from the LLE correlation lead to total miscibility in such homogeneous regions. We have checked that for the correlation of certain type 1 ternary systems (Treybal classification) a high probability exists of obtaining inconsistent model parameters, which lead to type 2 instead type 1 ternary behavior, unless specific restrictions for such parameters are imposed during the correlation. Com. tools to carry out this type of data fitting, which are frequently included in process simulation packages such as Aspen Plus, do not include the possibility of applying such restrictions and consequently they could provide this type of misleading correlation results with serious consequences in equipment design. In the present paper, LLE data correlation for certain type 1 ternary systems has been carried out using Aspen Plus resulting in inconsistent type 2 results. These same systems have been satisfactorily correlated using our own correlation tools including restrictions to ensure the required miscibility behavior, and thus obtaining consistent parameters. A similar problem could occur in the correlation of the less frequent island (or zero) type ternary systems. Some examples are also presented for such type of systems.

Fluid Phase Equilibria published new progress about Binary stars. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

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

Gundersen, Snefrid published the artcileThe molecular structure, conformation, potential to internal rotation and force field of 2,2-difluoroacetamide as studied by gas electron diffraction and quantum-chemical calculations, Application In Synthesis of 359-38-6, the main research area is difluoroacetamide mol structure conformation potential function DFT MP2 HF.

CHF2CONH2 was studied by electron diffraction (ED), ab initio HF, MP2 and d. functional theory calculations using a 6-311++G** basis set. The calculations give 1 conformation where 1 of the C-F bonds is almost orthogonal to the C-C-O-N skeleton plane and a planar NH2 group except for MP2, which predicts a slightly pyramidal NH2 group. The mol. force field was determined, and the fundamental frequencies were assigned and compared with the limited spectroscopic data available for this mol. The refined structural parameters were determined using constrained ED, i.e., ab initio results are included as constraints in the anal. Uncertainties are 1 standard deviation from least-squares refinement using a diagonal weight matrix and inclusion of the uncertainty in the electron wavelength. The structural parameters are compared with those of related amides. The barrier height at the syn conformation, V0, and the min. of the potential-energy function, φmin, are determined as 2.8(5) kJ mol-1 and 35(1)°, resp., which agree with theor. calculations The barrier height at the anti conformation, V180, was fixed to its calculated value of 20.3 kJ mol-1.

Journal of Molecular Structure published new progress about Conformation. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Application In Synthesis of 359-38-6.

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

Gundersena, Snefrid published the artcileThe molecular structure, conformation, potential to internal rotation and force field of 2,2-difluoroacetamide as studied by gas electron diffraction and quantum-chemical calculations, Category: amides-buliding-blocks, the main research area is difluoroacetamide mol structure conformation potential function DFT MP2 HF.

CHF2CONH2 was studied by electron diffraction (ED), ab initio HF, MP2 and d. functional theory calculations using a 6-311++G** basis set. The calculations give 1 conformation where 1 of the C-F bonds is almost orthogonal to the C-C-O-N skeleton plane and a planar NH2 group except for MP2, which predicts a slightly pyramidal NH2 group. The mol. force field was determined, and the fundamental frequencies were assigned and compared with the limited spectroscopic data available for this mol. The refined structural parameters were determined using constrained ED, i.e., ab initio results are included as constraints in the anal. Uncertainties are 1 standard deviation from least-squares refinement using a diagonal weight matrix and inclusion of the uncertainty in the electron wavelength. The structural parameters are compared with those of related amides. The barrier height at the syn conformation, V0, and the min. of the potential-energy function, φmin, are determined as 2.8(5) kJ mol-1 and 35(1)°, resp., which agree with theor. calculations The barrier height at the anti conformation, V180, was fixed to its calculated value of 20.3 kJ mol-1.

Journal of Molecular Structure published new progress about Conformation. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Category: amides-buliding-blocks.

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

Woronick, Charles L. published the artcileSpectrophotofluorometric determination of the dissociation constants of amides from the enzyme-reduced coenzyme complex of liver alcohol dehydrogenase(ADH), Product Details of C2H3F2NO, the main research area is .

cf. ibid. 15(10), 2062(1961). A mixture of ADH and reduced diphosphopyridine nucleotide (DPNH) in solution, which contains a fluorescent ADH-DPNH complex, was titrated with solutions of amides while the fluorescence at 410 mμ was measured. Dissociation constants were obtained by plotting the reciprocal of the change in fluorescence intensity vs. the reciprocal of the amide concentration (method of Winer and Theorell, CA 56, 9102g). Values of KER.I. are tabulated for 17 amides (E = enzyme, R = DPNH, I = inhibitor (amide)). These agree well with the Michaelis constants obtained previously. The values are also plotted according to the Taft ρ*σ* equation and the correlations are discussed.

Acta Chemica Scandinavica published new progress about Dissociation. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Product Details of C2H3F2NO.

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

Wang, Yao-Te published the artcileResolved specific dissociation channel of a core-excited peptide model molecule, Related Products of amides-buliding-blocks, the main research area is methyl formamide dissociation mechansim branching ratio.

A core-excited peptide model, N-methylformamide, and its isotopically substituted species were used to resolve the channels of specific dissociation The variation of each product branching ratio with photon energy from three isotopically substituted mols. was measured. From the branching ratios of the products with varied ratios of mass to charge, the variation of the branching ratio of each dissociation channel was resolved. The obvious specific reaction mechanism dominantly involves only the dissociation channel that involves breaking the peptide bond and eliminating two hydrogen atoms to form CNH2+. An element-specific dissociation was observed on breaking a C=O bond.

Chemical Physics Letters published new progress about Dissociation. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Related Products of amides-buliding-blocks.

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

Margiotta, Enrico published the artcileHalogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design, Quality Control of 123-39-7, the main research area is drug design MO ligand protein halogen bond modeling.

Halogen bonds are highly important in medicinal chem. as halogenation of drugs, generally, improves both selectivity and efficacy toward protein active sites. However, accurate modeling of halogen bond interactions remains a challenge, since a thorough theor. investigation of the bonding mechanism, focusing on the realistic complexity of drug-receptor systems, is lacking. Our systematic quantum-chem. study on ligand/peptide-like systems reveals that halogen bonding is driven by the same bonding interactions as hydrogen bonding. Besides the electrostatic and the dispersion interactions, our bonding analyses, based on quant. Kohn-Sham MO theory together with energy decomposition anal., reveal that donor-acceptor interactions and steric repulsion between the occupied orbitals of the halogenated ligand and the protein need to be considered more carefully within the drug design process.

Journal of Chemical Information and Modeling published new progress about Binding energy. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Quality Control of 123-39-7.

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