Tag: M.W=50-100

Yu, Yingmin published the artcileEntrainers Selection and Vapor-Liquid Equilibrium Measurements for Separation of p-Xylene from Ethylbenzene at 101.3 kPa, Product Details of C2H5NO, the main research area is para xylene ethylbenzene trichlorobenzene vapor liquid equilibrium thermodn simulation.

In this paper, the separation of the p-xylene and ethylbenzene was explored. The COSMO-SAC-UNIFAC model, σ-profile anal., solvent power and selectivity were used to screen for a suitable solvent for this process. Then, 1,2,4-trichlorobenzene was selected as target solvent to extract the p-xylene from ethylbenzene. The vapor-liquid-phase equilibrium (VLE) data for binary systems of p-xylene + ethylbenzene, p-xylene + 1,2,4-trichlorobenzene, and ethylbenzene + 1,2,4-trichlorobenzene and ternary system of p-xylene + ethylbenzene + 1,2,4-trichlorobenzene were determined with a modified Rose still at atm. pressure (101.3 kPa) and all the binary data passed the Wisniak’s test, which accorded with the thermodn. consistency. Three thermodn. models, Wilson, NRTL and UNIQUAC were used to correlate the VLE data and get binary interaction parameters, then the ternary VLE data of p-xylene + ethylbenzene + 1,2,4-trichlorobenzene were estimated based on these model parameters using Aspen Plus V10. The estimation values of the three models are in good agreement with the exptl. data. Moreover, the effect of 1,2,4-trichlorobenzene was analyzed and it was found to be an effective candidate extractant for the extractive distillation of ethylbenzene from mixed xylenes.

Journal of Solution Chemistry published new progress about Antoine equation. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Product Details of C2H5NO.

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

Lin, Yiyang published the artcileResidue-Specific Solvation-Directed Thermodynamic and Kinetic Control over Peptide Self-Assembly with 1D/2D Structure Selection, Synthetic Route of 123-39-7, the main research area is peptide self assembly solvation thermodn kinetics trapping cosolvent; 2D structures; fibrils; pathway dependence; peptide solvation; self-assembly.

Understanding the self-organization and structural transformations of mol. ensembles is important to explore the complexity of biol. systems. Here, we illustrate the crucial role of cosolvents and solvation effects in thermodn. and kinetic control over peptide association into ultrathin Janus nanosheets, elongated nanobelts, and amyloid-like fibrils. We gained further insight into the solvation-directed self-assembly (SDSA) by investigating residue-specific peptide solvation using mol. dynamics modeling. We proposed the preferential solvation of the aromatic and alkyl domains on the peptide backbone and protofibril surface, which results in volume exclusion effects and restricts the peptide association between hydrophobic walls. We explored the SDSA phenomenon in a library of cosolvents (protic and aprotic), where less polar cosolvents were found to exert a stronger influence on the energetic balance at play during peptide propagation. By tailoring cosolvent polarity, we were able to achieve precise control of the peptide nanostructures with 1D/2D shape selection. We also illustrated the complexity of the SDSA system with pathway-dependent peptide aggregation, where two self-assembly states (i.e., thermodn. equilibrium state and kinetically trapped state) from different sample preparation methods were obtained.

ACS Nano published new progress about Aprotic solvents. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Synthetic Route of 123-39-7.

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

Lee, Kin Long Kelvin published the artcileBayesian Analysis of Theoretical Rotational Constants from Low-Cost Electronic Structure Methods, COA of Formula: C2H5NO, the main research area is Bayesian analysis mol rotational constant electronic structure method.

With an ever-increasing usage of electronic structure programs by the microwave spectroscopy community, there is a growing need to assess the performance of commonly used, low-cost quantum chem. methods, particularly with respect to rotational constants because these quantities are central in guiding experiments Here, we systematically benchmark the predictive power afforded by several low-level ab initio and d. functionals combined with a variety of basis sets that are commonly employed in the rotational spectroscopy literature. The data set in our anal. consists of 6916 optimized geometries of 76 representative species where high-resolution exptl. gas-phase rotational constants are available. We adopted a Bayesian approach for analyzing the performance of each method and basis set combination, employing Hamiltonian Monte Carlo sampling to determine the uncertainty in theor. predictions of rotational constants and dipole moments. Our anal. establishes a hierarchy of accuracy and uncertainty, with commonly used methods in the rotational spectroscopy literature such as B3LYP and MP2 yielding lower accuracy and higher uncertainty than newer-generation functionals such as those from the Minnesota family, and ωB97X-D, which, when paired with a modestly sized 6-31+G(d) basis, provides optimal performance with respect to computational cost. Addnl., we provide statistical scaling factors that can be used to empirically correct for vibration-rotation effects, as a means to further improve the accuracy of rotational constants predicted from these relatively low-cost theor. methods. As part of this, we demonstrate that the uncertainties can be used in simulations of rotational spectra to cross-correlate with broadband spectra, a methodol. that could be used to quickly and efficiently survey exptl. spectra for new mols.

Journal of Physical Chemistry A published new progress about Bayesian network. 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

Li, Keng-Yuan published the artcileFluorinated montmorillonite and 3YSZ as the inorganic fillers in fluoride-releasing and rechargeable dental composition resin, Recommanded Product: N-Methylformamide, the main research area is montmorillonite yttria stabilized zirconia filler fluoride dental composition resin; Bis-GMA; bentonite; composite resins; dental caries; fluorides; zirconium.

Dental caries (tooth decay) is the most frequent oral disease in humans. Filling cavities with a dental restorative material is the most common treatment, and glass ionomer cements are the main fluoride ion release restorative materials. The goal of this study was to develop a restorative compound with superior fluoride ion release and recharge abilities. Previously developed fluorinated bentolite and hydrophobized 3YSZ were used as two different inorganic fillers mixed in a bisphenol A-glycidyl methacrylate (Bis-GMA) matrix. XRD, FTIR, and TGA were used to determine the hydrophobic modification of these two inorganic fillers. In mech. tests, including diameter tensile strength, flexural strength, and wear resistance, the developed composite resin was significantly superior to the com. control. A WST-1 assay was used to confirm that the material displayed good biocompatibility. Furthermore, the simulation of the oral environment confirmed that the composite resin had good fluoride ion release and reloading abilities. Thus, the composite resin developed in this study may reduce secondary caries and provide a new choice for future clin. treatments.

Polymers (Basel, Switzerland) published new progress about Bending strength. 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

Li, Jianwei published the artcileEvaluation of blood simulating solvents in extractables and leachables testing for chemical characterization of medical devices based on Abraham general solvation model, Recommanded Product: N-Methylformamide, the main research area is blood simulating solvents extract chem characterization medical device.

Extraction vehicles (simulating solvents) used in chem. characterization (i.e., extractables/leachables testing) of blood-contacting medical devices for biocompatibility assessment per ISO 10993 have been studied by Abraham general solvation models. Chem. equivalent solvents to blood in solvation properties (solubility, partition, extraction, etc.) have been proposed based on Abraham’s organic solvent system coefficients for water and air to condensed organic solvent phases. This evaluation is built upon the conclusion by Abraham, Acree Jr and Cometto-Munĩz that water saturated n-butanol (called wet n-butanol) is chem. corresponding to blood. Although wet n-butanol can be directly used to replace blood in an extraction study (such as a simulated-use extraction study per ISO 10993-18 (2020)), it can be beneficial to have alternate solvents to wet n-butanol (butan-1-ol) when chromatog. interference is practically significant. By comparing Abraham solvent system coefficients for water to condensed organic solvent phases distribution, a five-dimensional space distance (D) between solvents and reference solvent (wet n-butanol) is calculated using Abraham and Martin equation to predict equivalent or similar solvents (to wet n-butanol). It is concluded from the study that ethanol/water (60/40, V/V) and ethanol/water (50/50, V/V) are chem. equivalent or quite similar to wet n-Butanol. Other two less similar solvents are ethylene glycol and ethanol/water (70/30, V/V). Thus, n-butanol, ethanol/water (60/40, V/V) and ethanol/water (50/50, V/V) can be used as blood simulating solvents in chem. characterization study of medical device. In certain situations, ethylene glycol might be desirable as an alternate solvent, as it is not a mixture As Abraham solvation model is general (solvent system specific, not solute specific), the conclusions from this study are considered as universal.

Journal of Molecular Liquids published new progress about Biocompatibility. 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

DeGreeff, Lauryn E. published the artcileCanine olfactory detection of trained explosive and narcotic odors in mixtures using a Mixed Odor Delivery Device, Recommanded Product: N-Methylformamide, the main research area is canine olfactory detection trained explosive narcotic odor delivery device; Canine olfaction detection; Explosives detection; Headspace analysis; Narcotics detection; SPME-GC/MS.

Like using a substandard calibrant to test and calibrate an instrumental detector, when detection canines are regularly exposed to less than optimal training material, their detection proficiency is diminished, risking the lives of their handlers and civilians they are intended to protect. This research examined canine detection proficiency to odor mixtures and the use of mixture training to improve said proficiency. Trained detection canines were tested on their ability to correctly locate their trained target odors, explosives or narcotics, in various mixtures from a series of blanks and distractor odors. After making base measurements, canines were trained on the target odor in mixtures using the Mixed Odor Delivery Device (MODD), which was previously developed to safely contain separated explosive components and deliver the mixed odor to a canine detector for training purposes. Headspace measurements, made using solid phase microextraction with gas chromatog./mass spectrometry (SPME-GC/MS), were also taken of mixture components in and out of the MODD to confirm that odor mixtures were accurately portrayed to the canines during MODD training. Following mixture training, canines were retested on the same mixtures Results of the headspace anal. showed that the MODD did not alter the delivery of the odorants from the mixture components. As such, canines showed an improved proficiency in detection of target mixtures following mixture training, increasing the detection rate from 63% to 72% for pseudo cocaine mixtures and from 19% to 100% for explosive mixtures

Forensic Science International published new progress about Canis familiaris. 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

Zhang, Bin published the artcileTwo Robust In(III)-Based Metal-Organic Frameworks with Higher Gas Separation, Efficient Carbon Dioxide Conversion, and Rapid Detection of Antibiotics, COA of Formula: C2H5NO, the main research area is indium pyridyltetracarboxylate MOF preparation fluorescent sensor gas adsorption; cycloaddition catalyst indium pyridyltetracarboxylate MOF; crystal structure indium pyridyltetracarboxylate MOF.

With the aid of a pyridyl tetracarboxylate ligand, 2,5-bis(2′,5′-dicarboxylphenyl)pyridine (H4L), two indium-organic frameworks, [In2(L)(OH)2]·2DMF·2H2O (1) and [Me2NH2][In(L)]·2.5NMF·4H2O (2), with (6,8)- and (4,4)-connected nets have been constructed in different solvent systems. Both 1 and 2 exhibit high thermal and chem. stability. Gas sorption behavior of 1 and 2 for N2, C2H2, C2H4, CO2, and CH4 indicate excellent separation selectivities of C2Hx/CH4 and CO2/CH4. Furthermore, 1 possesses a high d. of Bronsted sites and shows efficient catalytic conversion for CO2 cycloaddition with epoxides. Meanwhile, luminescence investigations reveal that 2 can detect nitrofurazone efficiently. Two robust In(III)-based metal-organic frameworks with highly selective adsorption of C2H2, C2H4, and CO2 over CH4 have been rationally constructed. Especially, 1 possesses a high d. of Bronsted sites and can be used as an efficient heterogeneous catalyst to achieve the conversion of CO2, while 2 exhibits low detection limit, rapid response, and unique antiinterference ability toward nitrofurazone.

Inorganic Chemistry published new progress about Crystal structure. 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

Deng, Lan published the artcileIntrinsic Molybdenum-Based POMOFs with Impressive Gas Adsorptions and Photochromism, Quality Control of 123-39-7, the main research area is molybdenum oxo triazole POM preparation ESR; crystal structure molybdenum oxo triazole POM; gas adsorption; oxidomolybdenum; photochromic; polyoxometalate organic frameworks; triazoles.

Novel molybdenum(VI/V) POM-based self-constructed frameworks [MoVI12O24(μ2-O)12(trz)6(H2O)6]·6Hma·18H2O (1, Htrz = 1H-1,2,3-triazole, ma = methylamine), [MoVI7O14(μ2-O)8(trz)5(H2O)]·7Hma·5H2O (2), Na3[MoV6O6(μ2-O)9(Htrz)3(trz)3]·7.5H2O (3) and [MoV8O8(μ2-O)12(Htrz)8]·30H2O (4) were covalently decorated with tri-coordinated deprotonated/protonated 1,2,3-triazoles. Channels with an inner diameter of 7.5 S were found in 1, whereas a tunnel composed of stacking mols. with an inner diameter of 4.1 S along the b-axis exists in 2; it is occupied by free disordered methylamines, showing selective adsorption of O2 and CO2 at 25°C. Obvious downfield shifts were observed by 13C NMR spectroscopies for methylamines inside the confined channels in 1 and 2. There are diversified pores in 3 and 4, which are formed by the mols. themselves and intermol. accumulations. Adsorption tests indicate that 3 and 4 are fine adsorption materials for CH4 and CO2 under low pressure that rely on the environments built by the POMs. Correspondingly, 1 and 2 display reversible photoresponsive thermochromism that is subtlety influenced by the channels. The polyoxometalate organic frameworks (POMOFs) with multiple functional adsorptions are easy to assemble. Their photo-/thermoresponse properties offer a new pathway for the self-constructions of one-off hybrid materials that possess the good properties of both POMs and MOFs.

Chemistry – A European Journal published new progress about Crystal structure. 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

Chu, Qianqian published the artcileEffective C2H2 Separation and Nitrofurazone Detection in a Stable Indium-Organic Framework, Related Products of amides-buliding-blocks, the main research area is indium carboxylphenylfluorobenzene terephthalate MOF preparation fluorescent sensor thermal stability; gas adsorption indium carboxylphenylfluorobenzene terephthalate MOF; crystal structure indium carboxylphenylfluorobenzene terephthalate MOF.

Based on the mixed carboxylate ligands synthesis strategy, an indium-organic framework, (Me2NH2)1.5[In1.5(FBDC)(BDC)]·2.5NMF·CH3CN (1) has been constructed by using the mixed 2,5-di(2′,5′-dicarboxylphenyl)-difluorobenzene (H4FBDC) and terephthalic acid (H2BDC). Compound 1 contains a 3D intersecting pore system which surface is modified by F atoms, and it has excellent stability in pH = 2-12 aqueous solutions The activated 1 shows high separation for C2H2/CO2 and C2H2/CH4. Moreover, 1 not only has strong luminescence but also has the high selectivity and sensibility of fluorescence detection to nitrofurazone (NZF) in antibiotic sensing experiments, which can be used as a luminescence sensor for NZF detection. A stable F-modified indium-organic framework (1) with 3D intersecting pore system has been synthesized. Compound 1 not only possesses a highly selective adsorption of C2H2 over CO2 and CH4 gases but also has an outstanding selective recognition of NZF in water.

Inorganic Chemistry published new progress about Crystal structure. 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

Bhargao, Pooja H. published the artcileSynthesis and structural characterization of a barium coordination polymer based on a μ2-monoatomic bridging 4-nitrobenzoate, SDS of cas: 123-39-7, the main research area is crystal structure barium nitrobenzoate methylformamide coordination polymer; barium nitrobenzoate methylformamide polymer preparation fluorescence thermal decomposition.

The synthesis, spectral characterization, crystal structure and properties of [Ba(H2O)2(NMF)2(4-nba)2], (1; NMF = N-methylformamide; 4-nba = 4-nitrobenzoate), are reported. 1H and 13C NMR spectral data reveal NMF in 1. A strong band at 1660 cm-1 in the IR spectrum indicates the binding of amide O to Ba(II) which is confirmed by the single crystal structure. The unique Ba(II) in situated on a mirror plane exhibits nine coordination and is bonded to two symmetry related monodentate terminal NMF ligands via the amide O, and a terminal aqua ligand. The μ2-monoat. bridging binding mode of each of a crystallog. independent 4-nba ligand and a unique H2O ligand link the Ba(II) cations into an infinite chain extending along a, giving a 1-dimensional coordination polymer with Ba···Ba separations of 4.2522(3) Å. In the chain, the {BaO9} polyhedra are linked in a face sharing fashion. Thermal decomposition of gave BaCO3 residue. A comparative study of the structural chem. of several Ba coordination polymers is described.

Journal of Coordination Chemistry published new progress about Crystal structure. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, SDS of cas: 123-39-7.

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