Tag: M.W=50-100

Binte Mohamed, Dara Khairunnisa published the artcileHighly active and poison-tolerant nickel catalysts for tar reforming synthesized through controlled hydrothermal synthesis, COA of Formula: C2H6N2O, the main research area is nickel aluminum nitrate urea DMF catalyst hydrothermal.

Nickel catalysts suffer from the loss of tar reforming activity due to poisoning by syngas impurities. The strategy of increasing activity of catalysts through selection of suitable organic precipitants for hydrothermal synthesis was investigated. Catalysts were synthesized from nickel and aluminum nitrates using urea, N,N’-dimethylformamide, N-methylurea, 1,1-dimethylurea and N,N’-dimethylurea as precipitants and screened for naphthalene reforming. The catalyst prepared with urea maintained the highest reforming activity for 10 h in the presence of 50 ppmv H2S (80% naphthalene conversion, 800°C). This was attributed to lower chemisorption of sulfur on Ni sites, due to the larger percentage of Ni0 and Ni aluminates which are less susceptible towards sulfidation than NiO. The precipitant also influenced the water gas shift activity which was higher in case of N,N’-dimethylformamide and urea probably due to Ni aluminate formation. Thus, a type of precipitant plays an essential role in tailoring of catalysts for syngas upgrading.

Applied Catalysis, A: General published new progress about Annealing. 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

Wan, Zhongyu published the artcileQuantitative structure-property relationship of standard enthalpies of nitrogen oxides based on a MSR and LS-SVR algorithm predictions, Application In Synthesis of 598-50-5, the main research area is nitrogen oxide structure relation least squares support vector regression.

Quantum chem. method is used to calculate 1444 descriptors of each N oxide mol. Variables are screened by using multiple stepwise regression (MSR). The optimal 10-element regression equation is derived, its R2 = 0.934 and Q2 = 0.927. The support vector regression (SVR) model between 10 mol descriptors and standard formation enthalpy is established, and the support vector machine is optimized by using the least squares method (LS). The training set consisting of 78 compounds have R2 = 0.969 and Q2 = 0.954. The other 22 compounds constitute the test set to verify the external prediction ability of the model, and its R2 = 0.958. It demonstrates that the LS-SVR model has good stability and prediction ability, and overcomes the problem of over-fitting. The conclusion of quant. structural property relation (QSPR) shows that the mol. descriptor and the standard enthalpy of formation are nonlinear 2nd-order functions. The authors speculate that the electronegativity of atoms is the key to determine the standard enthalpy of formation of compounds

Journal of Molecular Structure published new progress about Algorithm. 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

Umar, Abdullahi Bello published the artcileQSAR and Docking Studies on Some Potential Anti-Cancer Agents to Predict their Effect on M14 Melanoma Cell Line, HPLC of Formula: 1455-77-2, the main research area is melanoma cell QSAR mol docking.

Abstract: The global incidence of melanoma cancer is increasing rapidly and its metastatic form causes high mortality rates. The research report illustrates the development of a quant. structure-activity relationship (QSAR) to predict the activities (pGI50) of some anti-cancer agents on melanoma cancer cell line. Subsequently, most potent compounds that showed better pGI50 activities were selected and screened via Lipinskis rule of five for drug likeness, ADMET risk parameters and lastly docking simulation studies was performed to elucidate their binding mode. Kennard-Stone algorithm was adopted for the data division, the genetic function algorithm was employed for variable selection and multiple linear regressions method was utilized for model development. The derived QSAR model showed, resp. acceptable [R2 (0.805), R2adjusted (0.773), Qcv2 (0.754) and R2pred (0.703)]. The obtained cRP2 for Y-randomization is 0.649, and applicability-domain (A-D) was assessed via leveraged method. Among the screened compounds via Lipinskis rule of five for oral bioavailability, ADMET risk filter for drug-like features and Docking simulation studies, compound 18 and 25 were identified as the best ligands having the better interactions energies (- 150.679 kcal mol-1 and – 176.246 kcal mol-1) and showed better interactions with the receptor than vemurafenib (- 147.245 kcal mol-1). Thus, the results of this research would be helpful in identification of lead mol. and optimization of novel drug.

Chemistry Africa published new progress about Algorithm. 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

Sathieshkumar, Ponnusamy Pon published the artcileA Cascade Approach for the Synthesis of 5-(Indol-3-yl)hydantoin: An Application to the Total Synthesis of (±)-Oxoaplysinopsin B, SDS of cas: 598-50-5, the main research area is indole glyoxylic pyruvic tartaric acid dimethylurea deep eutectic solution; indolyl hydantoin preparation; oxoaplysinopsin B total synthesis.

A cascade approach to the synthesis of 5-(indol-3-yl)hydantoin framework has been developed by the reaction of indole with glyoxylic acid/pyruvic acid under a deep eutectic solution, (+)-tartaric acid-dimethylurea. N,N’-Dimethylurea from a deep eutectic solution functions as a reactant as well as a solvent mixture Isolation of the intermediate, 5-hydroxyhydantoin, and its reaction with indole provides the mechanistic evidence for this reaction. This method was successfully applied in the first total synthesis of an alkaloid, (±)-oxoaplysinopsin B, with an overall yield of 48%.

Journal of Organic Chemistry published new progress about Amidation. 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

Cao, Yuteng published the artcileSimple reaction to prepare a heat-resistant and insensitive explosive (2-nitro-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine) and its derivatives, Application of 3,5-Diamino-1,2,4-triazole, the main research area is explosive nitrotriazolotriazine diamine derivative reaction synthesis safety.

Low cost, high yield, good safety, and simple synthesis process are the problems that must be solved in the engineering preparation of energetic compounds, even beyond the pursuit of high energy level to some extent. In this work, a novel 5,6-fused energetic mol. 2-nitro-[1,2,4]triazolo[1,5-a][1,3,5] triazine-5,7-diamine (NTTD) was designed and easily obtained. By the introduction of oxidants (HNO3 and HClO4) and high-energy groups (-NHNO2), the derivatives of NTTD were prepared, some of which exhibited good comprehensive properties. Importantly, NTTD features excellent thermostability and low mech. sensitivities. The whole preparation process has advantages of simple operation, short time, cheap and simple reagents, good repeatability, and high yield, which are conducive to large-scale preparation, indicating that NTTD can be a potential candidate of heat-resistant and insensitive explosives.

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

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cao, Yuteng published the artcileSimple reaction to prepare a heat-resistant and insensitive explosive (2-nitro-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine) and its derivatives, Application In Synthesis of 1455-77-2, the main research area is explosive nitrotriazolotriazine diamine derivative reaction synthesis safety.

Low cost, high yield, good safety, and simple synthesis process are the problems that must be solved in the engineering preparation of energetic compounds, even beyond the pursuit of high energy level to some extent. In this work, a novel 5,6-fused energetic mol. 2-nitro-[1,2,4]triazolo[1,5-a][1,3,5] triazine-5,7-diamine (NTTD) was designed and easily obtained. By the introduction of oxidants (HNO3 and HClO4) and high-energy groups (-NHNO2), the derivatives of NTTD were prepared, some of which exhibited good comprehensive properties. Importantly, NTTD features excellent thermostability and low mech. sensitivities. The whole preparation process has advantages of simple operation, short time, cheap and simple reagents, good repeatability, and high yield, which are conducive to large-scale preparation, indicating that NTTD can be a potential candidate of heat-resistant and insensitive explosives.

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

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xiao, Sa published the artcileAn efficient biosensor based on the synergistic catalysis of Helicobacter pylori urease b subunit and nanoplatinum for urease inhibitors screening and antagonistic mechanism analyzing, Application In Synthesis of 598-50-5, the main research area is urease nanoplatinum biosensor Helicobacter infection.

Helicobacter pylori (H. pylori) is the main non-genetic factor leading to gastric cancer. Due to the important role of urease produced by H. pylori in its initial colonization, survival, and infection, the activity inhibition of urease has been proven to be a promising therapeutic strategy for H. pylori infection. Therefore, the screening of effective urease inhibitors has become an important direction for the development of new therapeutic drugs. In this study, a novel biosensor for rapid screening of H. pylori urease inhibitors was constructed based on glassy carbon electrode (GCE) modified by heterologously expressed H. pylori 26695 urease b subunit (HPUb), Pt nanoparticles, and nanoporous gold (NPG). Five inhibitors were successfully screened for HPUb using the proposed biosensor (HPUb/Pt/NPG/GCE). The inhibition constants calculated according to the established math. model indicated that the inhibitory intensity order of these inhibitors was methylurea > acetamide > formamide > acetohydroxamic acid > hydroxyurea. Combining the inhibition constant of urease inhibitors with the mol. binding mechanism of the urease inhibitor and HPUb, it can be inferred that the non-polar long-chain modification of one of the primary amino groups based on the mol. structure of urea is a promising direction for the development of high-efficiency urease inhibitors. The elucidation of this mechanism will provide a theor. foundation and new ideas for the design of competitive urease inhibitors based on urea structure and the development of new anti H. pylori drugs.

Sensors and Actuators, B: Chemical published new progress about Biosensors. 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

Erfkamp, Jan published the artcileEnzyme-functionalized piezoresistive hydrogel biosensors for the detection of urea, Formula: C2H6N2O, the main research area is urea enzyme piezoresistive hydrogel biosensor; alkaline pH conditions; biosensor; hydrogel-based sensor; pH value; piezoresistive pressure sensor; stimuli-responsive hydrogel; urea; urea sensor; urease.

Urea is used in a wide variety of industrial applications such as the production of fertilizers. Furthermore, urea as a metabolic product is an important indicator in biomedical diagnostics. For these applications, reliable urea sensors are essential. In this work, we present a novel hydrogel-based biosensor for the detection of urea. The hydrolysis of urea by the enzyme urease leads to an alk. pH change, which is detected with a pH-sensitive poly(acrylic acid-co-dimethylaminoethyl methacrylate) hydrogel. For this purpose, the enzyme is phys. entrapped during polymerization This enzyme-hydrogel system shows a large sensitivity in the range from 1 mmol/L up to 20 mmol/L urea with a high long-term stability over at least eight weeks. Furthermore, this urea-sensitive hydrogel is highly selective to urea in comparison to similar species like thiourea or N-methylurea. For sensory applications, the swelling pressure of this hydrogel system is transformed via a piezoresistive pressure sensor into a measurable output voltage. In this way, the basic principle of hydrogel-based piezoresistive urea biosensors was demonstrated.

Sensors published new progress about Biosensors. 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

Zhou, Shengren published the artcileStructure-Property Relationships of ETNC and Its Salts Compared with PETNC and Its Salts, Synthetic Route of 1455-77-2, the main research area is erythritol pentaerythritol tetranitrocarbamate salt structure property relationship.

Two energetic compounds, erythritol tetranitrocarbamate (ETNC) and pentaerythritol tetranitrocarbamate (PETNC), and their salts, were synthesized in three steps, characterized and compared. All synthesized compounds were characterized by IR, DSC and multinuclear NMR spectroscopy. Four compounds were further investigated by single crystal X-ray diffraction. All nonmetal salts show extremely low mech. sensitivity (IS�30 J; FS�360 N). The heats of formation were calculated using Gaussian 09, and the detonation performances were calculated using EXPLO 5. Although these nonmetal salts are lower than the neutral compounds ETNC (D: 7960 m s-1, P: 27.4 GPa) and PETNC (D: 7629 m s-1, P: 24.3 GPa), they possess high detonation performances that are better than TNT. Erythritol-based and corresponding pentaerythritol-based energetic materials were compared in terms of their thermostability, detonation velocity and detonation pressure. They were also compared in their resp. series. ETNC and PETNC and their salts have short preparation steps and are easy to isolate in high yields, and thus have promising potential applications as explosives.

Zeitschrift fuer Anorganische und Allgemeine Chemie published new progress about Bond angle. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Synthetic Route of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Huang, Shiqi published the artcileSynthesis and combustion catalytic activity of ferrocene-based energetic compounds, HPLC of Formula: 1455-77-2, the main research area is combustion catalytic activity ferrocene based energetic compound crystallog.

Ammonium perchlorate (AP) is a common oxidizer in composite solid rocket propellants due to its excellent burning characteristics, good processability, and storability. Owing to their outstanding catalytic effects, ferrocene, and its derivatives have become the most widely used burning rate catalysts (BRCs). The addition of ferrocene and its derivatives to AP rendered performance optimization. In this study, azole-based ferrocenyl compounds were successfully synthesized. The compounds were characterized by single-crystal X-ray diffraction, UV-vis spectroscopy, and other techniques. The thermal degradation of AP catalyzed by these compounds was evaluated by differential scanning calorimetry and thermogravimetric anal. Results revealed that the decomposition peak temperature of AP dramatically decreases and that the released heat of AP significantly increases with the new compounds as additives. Hence, the six azole-based ferrocenyl BR catalysts are favorable for the combustion catalytic activity.

Journal of Heterocyclic Chemistry published new progress about Combustion. 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