Tag: M.W=50-100

Rudmann, Daniel published the artcileUsing Deep Learning Artificial Intelligence Algorithms to Verify N-Nitroso-N-Methylurea and Urethane Positive Control Proliferative Changes in Tg-RasH2 Mouse Carcinogenicity Studies, Application of 1-Methylurea, the main research area is nitrosomethylurea urethane TgRasH carcinogenicity deep learning artificial intelligence algorithm; Tg-rasH2; artificial intelligence; carcinogenicity; convolutional neural network; deep learning; safety assessment.

In Tg-rasH2 carcinogenicity mouse models, a pos. control group is treated with a carcinogen such as urethane or N-nitroso-N-methylurea to test study validity based on the presence of the expected proliferative lesions in the transgenic mice. We hypothesized that artificial intelligence-based deep learning (DL) could provide decision support for the toxicol. pathologist by screening for the proliferative changes, verifying the expected pattern for the pos. control groups. Whole slide images (WSIs) of the lungs, thymus, and stomach from pos. control groups were used for supervised training of a convolutional neural network (CNN). A single pathologist annotated WSIs of normal and abnormal tissue regions for training the CNN-based supervised classifier using INHAND criteria. The algorithm was evaluated using a subset of tissue regions that were not used for training and then addnl. tissues were evaluated blindly by 2 independent pathologists. A binary output (proliferative classes present or not) from the pathologists was compared to that of the CNN classifier. The CNN model grouped proliferative lesion pos. and neg. animals at high concordance with the pathologists. This process simulated a workflow for review of these studies, whereby a DL algorithm could provide decision support for the pathologists in a nonclin. study.

Toxicologic Pathology published new progress about Adenoma. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Application of 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Niu, Haoxin published the artcilePhosphorus-Free Vanillin-Derived Intrinsically Flame-Retardant Epoxy Thermoset with Extremely Low Heat Release Rate and Smoke Emission, Formula: C2H5N5, the main research area is vanillin intrinsically flame retardant epoxy thermoset.

Recently, the development of bio-based intrinsically flame-retardant epoxy thermosets has attracted increasing interest for the replacement of petroleum-based epoxy thermosets in fields that demand high anti-flammability. In this work, we synthesized a Schiff base triazole-containing epoxy monomer (Triazole-VA-EP) using vanillin (from a renewable source) and 3,5-diamino-1,2,4-triazole. The mol. structure of Triazole-VA-EP was confirmed by the proton and carbon NMR. The Triazole-VA-EP monomer was cured by 4,4′-diaminodiphenylmethane (DDM) to obtain a bio-based epoxy thermoset, with a petroleum-based diglycidyl ether of bisphenol A (DGEBA) cured by DDM as a contrastive sample. The cured Triazole-VA-EP/DDM product displayed higher tensile strength and glass transition temperature than the cured DGEBA/DDM system. The cured Triazole-VA-EP/DDM product showed an outstanding intrinsic flame resistance, with a relatively high limited oxygen index (LOI) value of 39.5% and UL-94 V-0 rating, whereas the cured DGEBA/DDM system displayed a low LOI value of 23.5% and no rating in the UL-94 vertical burning measurement. Furthermore, the cured Triazole-VA-EP/DDM system exhibited 82.3, 52.8, and 71.7% decline in peak heat release rate (199.6 vs. 1125.2 kW/m2), total heat release (47.04 vs. 99.73 MJ/m2), and total smoke production (5.70 vs. 20.12 m2), resp., compared to the cured DGEBA/DDM system. The super anti-flammability of the cured Triazole-VA-EP/DDM system was attributed to its excellent charring ability, which not only cut off the fuel supply by reducing the amount of thermal decomposition volatiles but also served as a barrier to retard the heat release and smoke emission. This work provides a new strategy to synthesize a bio-based fire-safe epoxy monomer by Schiff base reaction without using phosphorus-containing compounds

ACS Sustainable Chemistry & Engineering published new progress about Biomass. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Formula: C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Makarov, Dmitriy M. published the artcileDensity measurements of water – N-methylacetamide mixture at temperatures from 274.15-333.15 k and ambient pressure and comparison of the volumetric characteristics of some amides, Synthetic Route of 598-50-5, the main research area is water methylacetamide density atm pressure molar volume.

The densities ρ of the binary mixture of N-methylacetamide with water have been measured in the entire composition range of the mixture liquid state at T = (278.15, 288.15, 298.15, 308.15, 323.15 and 333.15) K at atm. pressure (0.1 MPa). The densities were also measured for dilute aqueous solutions of N-methylacetamide (from 0.00455-0.05743 mol fractions) at a temperature from 274.15-283.15 K, with an increment of 1 K at atm. pressure, in order to study the effect of N-methylacetamide on the temperature of the maximum water d. These data were later used to calculate the excess molar volumes . VEm., partial molar volumes of water V1 and N-methylacetamide V2, and to obtain the limiting partial molar volumes V∞i and limiting partial molar isobaric expansion of N-methylacetamide E∞P,2. The following volumetric characteristics were then obtained from these values: the shift temperature of the maximum d., Hepler’s constant, the pressure derivative of the second virial coefficient, relative volumetric parameter of hydration. The obtained parameters show the effect of N-methylacetamide on water. The study also included a comparison of these volumetric characteristics for several aqueous solutions of amides: acetamide, urea and N-methylurea. The paper also presents a comparison of these parameters at the changes in the structure of amide mols.

Journal of Chemical Thermodynamics published new progress about Density. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Synthetic Route of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Manship, Tim D. published the artcileAn Improved Synthesis of the Insensitive Energetic Material 3-Amino-5-Nitro-1,2,4-triazole (ANTA), HPLC of Formula: 1455-77-2, the main research area is amino nitro triazole potassium superoxide oxidation heating.

This work shows the ability of a readily-available oxidizer to achieve the selective oxidation of 3,5-diamino-1,2,4-triazole (DAT) to 3-amino-5-nitro-1,2,4-triazole (ANTA) in high yields. This strategy reduces the synthesis of this important energetic material and synthon down to a single step. Anal. was conducted on the product and confirmed that the product was indeed ANTA. The yield, safety, and economics of this process are all superior to the current state-of-the-art two-step multi-pot procedure.

Propellants, Explosives, Pyrotechnics published new progress about Heating. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, HPLC of Formula: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Liu, Min published the artcileExtraction of Natural Products by Direct Formation of Eutectic Systems, Product Details of C2H6N2O, the main research area is natural product extraction eutectic.

A eutectic system forms when two or more substances reorganize into a superlattice that has a lower m.p. than each of the individual components. Deep eutectic solvents (DESs) are environmentally friendly solvents often used for the dissolution, extraction, and separation of chem. compounds Instead of using DESs for extraction, hydrogen bond acceptors (HBAs) or hydrogen bond donors (HBDs) can be used to form a deep eutectic system (DESys) directly with the target compound for one-step dissolution and extraction The feasibility of direct formation of a DESys for high efficiency extraction was demonstrated with turmeric as the extraction target. The data showed that the target compounds indeed directly interacted with HBAs (and for other compounds, HBDs), which increases process efficiency and reduces the time required for target compounds to compete with another HBD (or HBA) to form hydrogen bonds. In addition, the results showed that the target compounds have different physicochem. properties in DESys and DES, which resulted in different anal. behaviors of the targets. This research may lead to changes in how eutectic systems are used and the development of new applications based on the formation of DESys.

ACS Sustainable Chemistry & Engineering published new progress about Eutectics. 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

Yang, Jie published the artcileSurface modification of core-shell structured ZIF-67@Cobalt coordination compound to improve the fire safety of biomass aerogel insulation materials, Quality Control of 1455-77-2, the main research area is zeolitic imidazolate framework cobalt coordination compound surface modification; biomass aerogel fire safety thermal insulation property.

Biomass materials are considered to be excellent candidates to replace petroleum-based materials, but inherent flammability limits their applications. In this work, biomass aerogel (BA) was prepared by freeze-drying method from sodium alginate (SA) and polyvinyl alc. (PVA). To improve fire safety of BAs, a core-shell structured ZIF-67@cobalt coordination compound was successfully synthesized, which was surface functionalized by 3,5-diamino-1,2,4-triazole and 9,10-dihydro-9-oxo-10-phospho-diphenyl-10-oxide (DOPO), named as DOPO-NH2-ZIF-67. The addition of DOPO-NH2-ZIF-67 (2 wt%) outstandingly improved fire safety of BA, in contrast to neat BA, peak heat release rate, peak smoke production rate, and total smoke production were reduced by 66.6%, 85.10%, and 72.76%, resp. Furthermore, the incorporation of ZIF-67 and its derivatives has no adverse effect on the thermal insulation performance of BA composites and significantly improved their compressive strength from 0.27 MPa to 1.76 MPa. Preparation of core-shell structured ZIFs rich in active groups furnishes a conceivable way to synthesize an effective flame retardant, and a prospective method for the fabrication of aerogel insulation materials with green and economical additive-free technol. is proposed.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Aerogels. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Quality Control of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Adigun, Rasheed A. published the artcileSubstitutional effects on the reactivity and thermal stability of dihydropyrimidinones, Application In Synthesis of 598-50-5, the main research area is dihydropyrimidinone substitutional effect reactivity thermal stability.

One of the advantages of dihydropyrimidinones (DHPMs) is the mol. diversity that could be achieved through their synthesis from a three-component reaction by varying the starting reaction materials. Differences in substituted functional groups could lead to varying reactivities and thermal stability amongst the analogs. In this study, two different classes of DHPMs were synthesized and the effects of the various substituents on the DHPM ring were investigated. The compounds were structurally characterized using single-crystal X-ray diffractometry, 1H, 13C, COSY, HSQC and HMBC NMR techniques, FT-IR and High Resolution Mass Spectrometry (HRMS). N1 methylation of the DHPM was found to increase the thermal stability of the series of DHPMs investigated, which is an added advantage in thermal reactions. The nature of the alkyl substituent of the ester group at position 5 of the DHPM was also found to affect the ease of the nucleophilic substitution reaction during the functionalization of the DHPMs. A complementary DFT study aided in understanding the above results as well as to compare the general stability of the range of compounds

Journal of Molecular Structure published new progress about Band gap. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Application In Synthesis of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Jia, Shuaiqiang published the artcileHierarchical Metal-Polymer Hybrids for Enhanced CO2 Electroreduction, HPLC of Formula: 1455-77-2, the main research area is hierarchical metal polymer hybrid carbon dioxide electroreduction; CO2 reduction reaction; electrochemistry; hierarchical structures; materials science; metal-polymer hybrids.

The design of catalysts with high activity, selectivity, and stability is key to the electroreduction of CO2. Herein, we report the synthesis of 3D hierarchical metal/polymer-carbon paper (M/polymer-CP) electrodes by in situ electrosynthesis. The 3D polymer layer on CP (polymer-CP) was first prepared by in situ electropolymerization, then a 3D metal layer was decorated on the polymer-CP to produce the M/polymer-CP electrode. Electrodes with different metals (e.g. Cu, Pd, Zn, Sn) and various polymers could be prepared by this method. The electrodes could efficiently reduce CO2 to desired products, such as C2H4, CO, and HCOOH, depending on the metal used. For example, C2H4 could be formed with a Faradaic efficiency of 59.4% and a c.d. of 30.2 mA cm-2 by using a very stable Cu/PANI-CP electrode in an H-type cell. Control experiments and theor. calculations showed that the 3D hierarchical structure of the metals and in situ formation of the electrodes are critical for the excellent performance.

Angewandte Chemie, International Edition published new progress about Band gap. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, HPLC of Formula: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Hema, N. published the artcileSynthesis, growth and characterization of a single crystal of n-methyl urea malonic acid (NMUMA), Safety of 1-Methylurea, the main research area is synthesis growth characterization single crystal NMUMA.

An organic single crystal of N-Me urea Malonic acid (NMUMA) was successfully grown by slow evaporation technique at room temperature The structure of grown crystal was elucidated from the Xray diffraction study and it belongs to triclinic system with space group P-1. Functional groups of NMUMA have been identified by the Fourier transform IR spectral studies. The optical transmittance spectrum of NMUMA was recorded. The mech. property of the grown crystal was studied using Vickers′s micro hardness studies. The laser damage threshold value of NMUMA was calculated using Nd: YAG laser. Photoconductivity studies were taken. The dielec. property of NMUMA crystal was revealed. The second order nonlinear coefficient of the grown crystal was also measured for NMUMA single crystal.

Research Journal of Chemistry and Environment published new progress about Crystals. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Safety of 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kustov, Andrey V. published the artcileEnthalpies and heat capacities of solution of 3,5-diamino-1,2,4-triazole and 3,5-diamino-1-phenyl-1,2,4-triazole in water, SDS of cas: 1455-77-2, the main research area is diamino phenyl triazole water solution enthalpy heat capacity.

This paper focuses on the thermochem. behavior of two derivatives of 1,2,4-triazole which is often considered as a potential synthetic platform to develop novel antitumor or antimicrobial drugs, i.e., 3,5-diamino-1,2,4-triazole (compound 1) and 3,5-diamino-1-phenyl-1,2,4-triazole (compound 2). Exptl. enthalpies of solution in water have been determined calorimetrically over the physiol. temperature range. These quantities are used to compute standard enthalpies and heat capacities of solution Standard partial molal heat capacities of solution are calculated from the heat capacities of solution and exptl. determined heat capacities of solid heterocycles. The results obtained are compared with those for hydrophilic urea and hydrophobic benzene and briefly discussed.

Journal of Thermal Analysis and Calorimetry published new progress about Enthalpy. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, SDS of cas: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem