Category: 598-50-5

Tian, Ya-Ya published the artcileDegradation of prometryn in Ruditapes philippinarum using ozonation: Influencing factors, degradation mechanism, pathway and toxicity assessment, Name: 1-Methylurea, the main research area is prometryn ozone Ruditapes philippinarum absorption ozonation degradation; Degradation; Mechanism; Ozone; Prometryn; Ruditapes philippinarum.

In recent years, prometryn was utilized as watergrass remover in the aquaculture industry, resulting in the accumulated residual in the aquatic products. The present study focuses on the ozone degradation of prometryn in the Ruditapes philippinarum. The ozone concentration in water increased along with the injection time (60min). The contents of hydroxyl (·OH) and superoxide (O2·-) radicals increased along with the ozone injection time. The effects of temperature, pH, prometryn initial concentration and ozone concentration on the removal efficiency of prometryn were evaluated. The maximum removal efficiency of 86.12% was obtained under the conditions of pH 7, prometryn initial concentration 0.05 mg/kg and the ozone concentration 4.2 mg/L at 28 °C for 30 min. Ion chromatog. (IC) and Fourier transform IR (FT-IR) spectroscopy results show that the S and N atoms in the outer layer of the triazine ring during the prometryn degradation process were oxidized and removed. A total of 30 intermediate compounds were identified using the gas chromatog.-mass spectrometry (GC-MS) method. Combined with the IC and FT-IR results, three possible degradation pathways of prometryn were proposed. The prometryn was finally degraded into some small mols. with reduced toxicity by 63.16% for 120 min ozonization treatment. Overall, our work provides a novel approach for prometryn degradation in Ruditapes philippinarum, which can be extended for removing the residues of agricultural and veterinary drugs in other aquatic products.

Chemosphere published new progress about Absorption. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Name: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Chen, Yu published the artcileWater absorption by deep eutectic solvents, SDS of cas: 598-50-5, the main research area is water vapor absorption deep eutectic solvent.

Deep eutectic solvents (DESs) are one type of green solvents. Most of the DESs could absorb water from air. However, even a trace amount of water can affect the chem. structure and phys. properties of DESs. To date, no study has been reported on the hygroscopicity of DESs. Consequently, in this study, a comprehensive investigation was performed on the capacity, kinetics, mechanism, and furthermore the dynamic process (by PCMW2D-COS IR spectra) of atm. water absorption from air by DESs. The results show that most DESs are highly hygroscopic. Surface absorption enhances the overall water absorption capacity by DESs in spite of decreasing the initial water absorption rate. In the beginning, the water absorption increases with an increase in the number of hydrophilic groups in DESs due to the retained DES nanostructure during this period. Therefore, DESs with more hydrophilic groups (ChCl:glucose than ChCl:xylitol) possess a higher water absorption initial rate. However, when the water absorption capacity is high, the hindrance from the H-bond strength from inner DESs needs to be overcome for the absorption of more water. In this case, DESs with stronger H-bonds (ChCl:glucose than ChCl:xylitol) have a lower steady-state water absorption capacity and an easier equilibrium

Physical Chemistry Chemical Physics published new progress about Absorption. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, SDS of cas: 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cheng, Xian published the artcileExperimentally determined strengths of favorable and unfavorable interactions of amide atoms involved in protein self-assembly in water, Recommanded Product: 1-Methylurea, the main research area is protein folding self assembly amide hydrogen bonding sp interaction; additivity; amide atom interactions; aqueous interactions; preferential interactions; thermodynamics.

Folding and other protein self-assembly processes are driven by favorable interactions between O, N, and C unified atoms of the polypeptide backbone and side chains. These processes are perturbed by solutes that interact with these atoms differently than water does. Amide NHA·A·A·O=C hydrogen bonding and various π-system interactions have been better characterized structurally or by simulations than exptl. in water, and unfavorable interactions are relatively uncharacterized. To address this situation, we previously quantified interactions of alkyl ureas with amide and aromatic compounds, relative to interactions with water. Anal. yielded strengths of interaction of each alkylurea with unit areas of different hybridization states of unified O, N, and C atoms of amide and aromatic compounds Here, by osmometry, we quantify interactions of 10 pairs of amides selected to complete this dataset. An anal. yields intrinsic strengths of six favorable and four unfavorable atom-atom interactions, expressed per unit area of each atom and relative to interactions with water. The most favorable interactions are sp2O-sp2C (lone pair-π, presumably n-π*), sp2C-sp2C (π-π and/or hydrophobic), sp2O-sp2N (hydrogen bonding) and sp3C-sp2C (CH-π and/or hydrophobic). Interactions of sp3C with itself (hydrophobic) and with sp2N are modestly favorable, while sp2N interactions with sp2N and with amide/aromatic sp2C are modestly unfavorable. Amide sp2O-sp2O interactions and sp2O-sp3C interactions are more unfavorable, indicating the preference of amide sp2O to interact with water. These intrinsic interaction strengths are used to predict interactions of amides with proteins and chem. effects of amides (including urea, N-ethylpyrrolidone [NEP], and polyvinylpyrrolidone [PVP]) on protein stability.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Additivity. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Recommanded Product: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Salkar, Akshay V. published the artcileNH- and CH-Substituted Ureas as Self-Assembly Directing Motifs for Facile Synthesis and Electrocapacitive Applications of Advanced WO3-x One-Dimensional Nanorods, HPLC of Formula: 598-50-5, the main research area is tungsten oxide nanorod capacitor urea self assembly oxygen vacancy.

Designing a solid state crystal architecture at nanoscale, using a soft chem. approach, is the key step toward their scalable synthesis for sustainable application in electrochem. charge storage devices. We investigate the application of NH- and CH-substituted ureas, namely, carbohydrazide, semicarbazide, N-methylurea, and tetramethylurea as design elements/motifs in the tailored synthesis of WO3-x nanostructures via direct calcination of tungstic acid-substituted urea hybrid gels. The SEM, HRTEM, SAED, XRD, XPS, and TG-DTA studies reveal that NH-substitution in urea induces a profound growth of WO3-x one-dimensional (1D) nanorods, preferentially growing along the (002) plane with enhancement in the percentage of oxygen vacancies. On the contrary, with the increase in CH-substitution in urea, the tendency to form 1D nanorods via self- assembly process decreases, possibly due to an increase in the steric effect of the Me groups. We further demonstrate the corresponding effect of morphol. and chem. changes in WO3-x nanostructure on their improved electrified interfacial processes via H+ intercalation using cyclic voltammetry, galvanostatic charge-discharge, electrochem. impedance spectroscopy tests, and chronoamperometric studies. Our findings reveal that the enhancement in WO3-x nanorod growth, W5+/W6+ redox surface states, and abundance of (002) surface plane due to NH-substitution in urea play a crucial role in facilitating the diffusion process of H+/e- in and out of the WO3-x matrix. An area specific capacitance of 132 mF cm-2 at the c.d. of 1 mA cm-2 with excellent capacitance retention is reported. Moreover, significant improvements in the charge-discharge times were observed, the highest being the one for WO3-x nanorods obtained using carbohydrazide, demonstrating its potential for possible application in designing 1D nanomaterials for energy storage systems.

ACS Applied Energy Materials published new progress about Calcination. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, HPLC of Formula: 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Molnar, Maja published the artcileCholine Chloride Based Deep Eutectic Solvents as a Tuneable Medium for Synthesis of Coumarinyl 1,2,4-Triazoles: Effect of Solvent Type and Temperature, COA of Formula: C2H6N2O, the main research area is isothiocyanate acetohydrazide deep eutectic solvent temperature effect cyclization green; coumarinyl triazole preparation.

A study of 1,2,4-triazole synthesis from 2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (I) or 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetohydrazide (II) and various isothiocyanates, in deep eutectic solvents, was performed. In order to find the best conditions for 1,2,4-triazole formation, a model reaction on I and phenylisothiocyanate was performed in 14 different choline chloride based deep eutectic solvents, at two different temperatures (40 °C and 80 °C). Pure 1,2,4-triazoles were obtained in choline chloride/urea (1:2) and choline chloride/N-Me urea (1:3) deep eutectic solvents at 80 °C. Pure thiosemicarbazides were obtained in choline chloride/ethane-1,2-diol (1:2), choline chloride/malic acid (1:1), choline chloride/malonic acid (1:1), choline chloride/butane-1,4-diol (1:3) and choline chloride/glycerole (1:2) at 40 °C. The ratio of 1,2,4-triazoles and thiosemicarbazides in reaction mixtures was determined by HPLC and 1H NMR. After the best conditions for 1,2,4-triazole synthesis were found, some coumarinyl 1,2,4-triazoles were synthesized from two different coumarinyl hydrazides and various alkyl and aryl isothiocyanates in one step reaction.

European Journal of Organic Chemistry published new progress about Cyclization. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, COA of Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Chialvo, Ariel A. published the artcileOsmolyte-Induced Effects on the Hydration Behavior and the Osmotic Second Virial Coefficients of Alkyl-Substituted Urea Derivatives: Critical Assessment of Their Structure-Making/Breaking Behavior, COA of Formula: C2H6N2O, the main research area is osmotic virial coefficients Alkyl Substituted urea derivatives; Osmolyte Induced Effects Hydration Behavior.

We analyzed the hydration behavior of alkyl-substituted urea osmolytes in terms of their deviation from Lewis-Randall solution ideality and characterized their structure-making/breaking tendency according to a proposed solvation formalism that provides a rigorous cause-effect connection between the system microstructure and its solution thermodn. nonidealities. After a brief introduction of the rationale behind the use of Lewis-Randall over alternative solution ideality references, we (i) assessed the effect of the nature and type of alkyl substitution on the osmolyte-induced perturbation of the solution microstructure as a function of composition, (ii) analyzed their microstructural responses to changes in temperature and pressure, and (iii) demonstrated the structure-breaking nature of urea and the magnifying behavior of its alkyl-substituted osmolytes, whose trend follows the increasingly pos. deviation of the osmolyte solutions from Lewis-Randall ideality. Then, we discussed the falsifiability of a pair of frequently used conjectured structure-making/breaking criteria, supported by the derived exact relationships between the structure-making/breaking parameter, the solution thermodn. nonideality, and the osmotic second virial coefficient of the aqueous osmolytes. Finally, we provided an outlook on how the proposed approach could guide the quest for a truly (microstructural to free energy) causative explanation for the denaturation mechanism of proteins.

Journal of Physical Chemistry B published new progress about Free energy. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, COA of Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yang, Xiaoqing published the artcileDeep eutectic solvents consisting of EmimCl and amides: Highly efficient SO2 absorption and conversion, Name: 1-Methylurea, the main research area is emimcl amide deep eutectic solvent sulfur dioxide absorption conversion; deep eutectic solvent sulfur dioxide absorption phase transfer complex.

There has been a surge in interest and research in the arena of utilizing deep eutectic solvents (DESs) as green solvents for removal of SO2 in recent years. In this work, an effective strategy for SO2 reversible capture and fixation by four amides based DESs was demonstrated. These DESs are composed of 1-ethyl-3-methylimidazolium chloride (EmimCl) and dimethylurea (DMU), N-methylurea (MU), thioacetamide (SAA), or caprolactam (CLAA) in a 2:1 M ratio, which achieve both high gravimetric and molar absorption capacity of SO2 at 20°C and 1.0 bar (up to 1.26 g per g of DES, or 8.00 mol per mol of DES). Results of the NMR and FTIR spectra reveal that there are phys. interactions between SO2 and DESs. Furthermore, absorbed SO2 can be desorbed and no significant drop in SO2 absorption was observed after five successive absorption-desorption cycles. Particularly, the absorbed SO2 was quickly converted in situ into the charge-transfer complex of bis(sulfur dioxide)-1,4-diazabicyclo[2.2.2]octane adduct (DABCO·2SO2) as a high value-added chem. The SO2-lean phase was directly reused for SO2 capture, thus greatly reducing energy requirements and providing a promising method SO2 resource utilization.

Separation and Purification Technology published new progress about Absorbents. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Name: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Shi, Wei published the artcileComputational Screening of Physical Solvents for CO2 Pre-combustion Capture, Name: 1-Methylurea, the main research area is computational screening solvent carbon dioxide absorption precombustion.

A computational scheme was used to screen phys. solvents for CO2 pre-combustion capture by integrating the com. NIST database, an inhouse computational database, chem-informatics, and mol. modeling. A com. available screened hydrophobic solvent, di-Et sebacate, was identified from the screening with favorable phys. properties and promising absorption performance. The promising performance to use di-Et sebacate in CO2 pre-combustion capture has also been confirmed from experiments Water loading in di-Et sebacate is very low, and therefore, water is kept with H2 in the gas stream. The favorable CO2 interaction with di-Et sebacate and the intermediate solvent free volume fraction leads to both high CO2 solubility and high CO2/H2 solubility selectivity in di-Et sebacate. An inhouse NETL computational database was built to characterize CO2, H2, N2, and H2O interactions with 202 different chem. functional groups. It was found that 13% of the functional groups belong to the strong interaction category with the CO2 interaction energy between -15 and -21 kJ/mol; 62% of the functional groups interact intermediately with CO2 (-8 to -15 kJ/mol). The remaining 25% of functional groups interact weakly with CO2 (below -8 kJ/mol). In addition, calculations show that CO2 interactions with the functional groups are stronger than N2 and H2 interactions but are weaker than H2O interactions. The CO2 and H2O interactions with the same functional groups exhibit a very strong linear pos. correlation coefficient of 0.92. The relationship between CO2 and H2 gas solubilities and solvent fractional free volume (FFV) has been systematically studied for seven solvents at 298.2 K. A skewed bell-shaped relation was obtained between CO2 solubility and solvent FFV. When an organic compound has a d. approx. 10% lower than its d. at 298.2 K and 1 bar, it exhibits the highest CO2 loading at that specific solvent d. and FFV. Note that the solvent densities were varied using simulations, which are difficult to be obtained from the experiment In contrast, H2 solubility results exhibit an almost perfect pos. linear correlation with the solvent FFV. The theor. maximum and min. phys. CO2 solubilities in any organic compound at 298.2 K were estimated to be 11 and 0.4 mol/MPa L, resp. An examination of 182 exptl. CO2 phys. solubility data and 29 simulated CO2 phys. solubilities shows that all the CO2 phys. solubility data are within the maximum and min. with only a few exceptions. Finally, simulations suggest that in order to develop phys. solvents with both high CO2 solubility and high CO2/H2 solubility selectivity, the solvents should contain functional groups which are available to interact strongly with CO2 while minimizing FFV.

Journal of Physical Chemistry B published new progress about Absorbents. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Name: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Purkhosrow, Azar published the artcileHighly efficient, one pot, solvent and catalyst, free synthesis of novel quinazoline derivatives under ultrasonic irradiation and their vasorelaxant activity isolated thoracic aorta of rat, Formula: C2H6N2O, the main research area is quinazoline preparation green chem ultrasonic irradiation vasorelaxant thoracic aorta; One pot; Quinazoline; Thoracic aorta of rat; Ultrasonic irradiation; Vasorelaxant activity.

New quinazoline derivatives I (R = Ph, 4-methylpiperazin-1-yl, 3-hydroxypyridin-2-yl, N-methylcarbamoyl, etc.) were prepared by one pot reaction of anthranilic acid, acetic anhydride and primary amines RNH2 under ultrasonic irradiation As a result, ultrasonic irradiation has led to affordable, clean synthesis of a variety of target compounds in much higher yields, than traditional methods. This method has numerous advantages: higher yields, shorter reactions time, and easier work-up. Several structural classes among these compounds were identified to have vasorelaxant activity. In this respect, all of the newly synthesized quinazolinone derivatives I displayed vasorelaxant properties on the isolated thoracic rat aorta. The IC50 of compounds I (R = Ph) (-6.00 ± 0.55), I (R = 4-nitrophenylamino) (-7.31 ± 0.94), I (R = 2,4-dinitrophenylamino) (-7.15 ± 0.81) and I (R = (diphenylmethylidene)aminyl) (-7.77 ± 0.31) was comparable to that seen in the acetylcholine (-7.13 ± 0.14).

Iranian Journal of Pharmaceutical Research published new progress about Green chemistry. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhang, Yan published the artcileCharacterization of liquefied products from corn stalk in the presence of polyhydric alcohols with acid catalysis, Product Details of C2H6N2O, the main research area is polyhydric alc acid catalysis liquefied product corn stalk.

Atm. liquefaction technol. has been used widely and is an effective way of biomass component utilization. In this paper, the liquefied products obtained from corn stalk using polyhydric alcs. 1,2-propanediol (PG) mixed diethylene glycol (DEG) through acid catalysis under atm. pressure were characterized by various anal. technologies. The results indicated that 39 kinds of organic compounds were present in bio-oil, among which alcs. were the most, phenols were the second, and their relative contents were 70.7% and 25.6%, resp. There were also some organic acids, ethers, esters, and ketones. More than 80% of these compounds had a carbon number less than 25. Carbon NMR spectra (13C-NMR) showed that different chem. shifts δ (ppm) corresponded to various carbon types. The chem. composition of the residue from liquefaction was complex and contained a certain amount of large mol. substances that were difficult to degrade. It required more severe pyrolysis conditions than those of corn stalk. Results from X-Ray Diffraction (XRD) indicated the destruction of crystalline structure of carbohydrates and the cellulose mols. were cracked, indicating that the cellulose was degraded and the degree of liquefaction was high.

BioResources published new progress about Acid catalysis. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Product Details of C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem