Tag: M.W=100-150

Musyoka, Thommas published the artcileSouth African abietane diterpenoids and their analogs as potential antimalarials: novel insights from hybrid computational approaches, SDS of cas: 100-70-9, the main research area is Plasmodium abietane diterpenoid antimalarial agent computational method; binding free energy; docking; dynamic residue interaction network; falcipains; molecular dynamics simulation.

Here, we utilize in silico approaches to screen 628 compounds from the South African natural sources to identify potential hits that can selectively inhibit the plasmodial proteases. Using docking studies, seven abietane diterpenoids, binding strongly to the plasmodial proteases, and three addnl. analogs from PubChem were identified. Important residues involved in ligand stabilization were identified for all potential hits through binding pose anal. and their energetic contribution determined by binding free energy calculations The identified compounds present important scaffolds that could be further developed as plasmodial protease inhibitors. Previous laboratory assays showed the effect of the seven diterpenoids as antimalarials. Here, for the first time, we demonstrate that their possible mechanism of action could be by interacting with falcipains and their plasmodial homologs. Dynamic residue network (DRN) anal. on the plasmodial proteases identified functionally important residues, including a region with high betweenness centrality, which had previously been proposed as a potential allosteric site in FP-2.

Molecules published new progress about Antimalarials. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Sanchez-Parra, Elisabet published the artcileAre cyanotoxins the only toxic compound potentially present in microalgae supplements? Results from a study of ecological and non-ecological products, Formula: C6H4N2, the main research area is cyanotoxin microalgae toxic compound supplement ecol product; anatoxins; bacteria; cyanotoxins; fungi; heavy metals; microalgae supplements; microcystins.

Food supplements with microalgae are becoming increasingly abundant and can be easily found anywhere. The most popular products are based on cyanophytes, such as Aphanizomenon flos-aquae, Arthrospira platensis and Limnospira maxima, or on chlorophytes, such as Chlorella or Haematoccus. Although they are all advertised as being very beneficial for health, these products might be harmful because they may contain cyanotoxins and other contaminants, and no information on production methods or strain origins is usually provided. While legislation on the presence of microcystins in waters for different uses is clear, toxicol. analyses are not compulsory for food supplements, nor for analyzing anatoxins. Given the potential risk of eating contaminated food, cyanotoxins, heavy metals and the presence of other contaminant organisms were analyzed in 10 microalgae food supplements. Microcystin-LR and anatoxin-a were detected in three analyzed products, and in both cyanophyte- and chlorophyte-based products. The light microscope study revealed the presence of different potentially harmful microbial contaminants. The ICP (OES) analyses detected high concentrations of some heavy metals, especially Pb. The results emphasize the need to promote the better control of food products containing microalgae, and to develop standard methodologies to analyze cyanotoxins and potential toxic compounds to protect consumer health.

Toxins published new progress about Aphanizomenon. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Formula: C6H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Verevkin, Sergey P. published the artcileMolecular versus ionic liquids: Development of a thermodynamic framework for predicting vaporization thermodynamics, SDS of cas: 100-70-9, the main research area is mol ionic liquid vaporization thermodn framework development.

Ionic liquids based on the pyridinium and quinolinium cations show good result in desulfurization of fuels. The knowledge of their vaporisation thermodn. is of practical importance. The standard molar enthalpies of vaporization of pyridinium based ionic liquids were derived from the vapor pressure temperature dependences measured by the quartz-crystal microbalance method. We have collected available primary exptl. results on vapor pressures, and enthalpies of phase transitions (solid-solid, crystal-gas, and liquid-gas) of analogus mol. species – substituted pyridines and quinolines. These data were evaluated using the structure-property correlations. The consistent sets of evaluated thermodn. data on the mol. and ionic liquids were used to develop the ′′centerpiece′′ based group-additivity method for predicting enthalpies of vaporization of mol. and ionic compounds The general transferability of the contributions to the enthalpy of vaporization from the mol. liquids to the ionic liquid has been established.

Journal of Molecular Liquids published new progress about Boiling point. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Czyzyk, D. J. published the artcileStructure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors, Name: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is structure preparation thymidylate synthase inhibitor cryptosporidiosis; Antifolate; Cryptosporidium hominis; SAR study; Thymidylate synthase; X-ray crystallography.

Cryptosporidiosis is a human gastrointestinal disease caused by protozoans of the genus Cryptosporidium, which can be fatal in immunocompromised individuals. The essential enzyme, thymidylate synthase (TS), is responsible for de novo synthesis of deoxythymidine monophosphate. The TS active site is relatively conserved between Cryptosporidium and human enzymes. In previous work, we identified compound 1, (2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidin-methyl-phenyl-L-glutamic acid), as a promising selective Cryptosporidium hominis TS (ChTS) inhibitor. In the present study, we explore the structure-activity relationship around 1 glutamate moiety by synthesizing and biochem. evaluating the inhibitory activity of analogs against ChTS and human TS (hTS). X-Ray crystal structures were obtained for compounds bound to both ChTS and hTS. We establish the importance of the 2-phenylacetic acid moiety methylene linker in optimally positioning compounds 23, 24, and 25 within the active site. Moreover, through the comparison of structural data for 5, 14, 15, and 23 bound in both ChTS and hTS identified that active site rigidity is a driving force in determining inhibitor selectivity.

European Journal of Medicinal Chemistry published new progress about Coccidiostats. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Name: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Huang, Peng published the artcileAsymmetrically Substituted Phthalocyanines as Dopant-Free Hole Selective Layers for Reliability in Perovskite Solar Cells, Safety of Phthalonitrile, the main research area is metal phthalocyanines perovskite solar cell.

Dopant-free metal phthalocyanines are viable alternatives to the classical 2,2′,7,7′-tetrakis-(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (Spiro-OMeTAD) in perovskite solar cells (PSCs), due to their appealing optoelec. properties and chem. stability. However, low carrier concentration, transportability, and narrow band gap limit their application. Here, we designed and investigated six innovative asym. substituted metal phthalocyanines (MPcs, M = Zn or Cu), and established the correlation among the electronic structure, charge carrier transfer parameter, and core metal/substitutions in MPcs by transient absorption spectroscopy and ESR. We probed the charge transport properties of ZnPcs including their carrier lifetime, diffusion coefficient, and diffusion length by transient absorption spectroscopy. We noted that ZnPcAE presents a longer diffusion length (1.94 nm) than the control ZnPcTB4 (0.80 nm), which is advantageous for reducing charge recombination and gives a higher power conversion efficiency in the fabricated PSCs. Importantly, the devices with MPcs yielded improved stability under multistress conditions. Our work provides a mol. guideline for designing MPcs and their application as dopant-free hole-transporting materials for perovskite solar cell fabrication.

ACS Applied Energy Materials published new progress about Contact angle. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Safety of Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Tamoradi, Taiebeh published the artcileNeodymium immobilized on Fe3O4: A new and recoverable catalyst for oxidation reactions and synthesis of 5-substituted 1H-tetrazoles in green condition, HPLC of Formula: 91-15-6, the main research area is tetrazole neodymium iron oxide recoverable catalyst green condition.

Magnetic nanoparticle functionalized with neodymium complex as catalyst and characterized by SEM, XRD, FT-IR, TGA, EDX and ICP techniques. Then, catalytic activity of prepared catalyst was examined in the synthesis of tetrezoles and oxidation reactions in which observed short reaction time and high yield in these reactions.

Polyhedron published new progress about Crystallinity. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, HPLC of Formula: 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Molaei, Somayeh published the artcileImmobilization of cerium (IV) and erbium (III) in mesoporous MCM-41: Two novel and highly active heterogeneous catalysts for the synthesis of 5-substituted tetrazoles, and chemo- and homoselective oxidation of sulfides, HPLC of Formula: 91-15-6, the main research area is cerium immobilized serine functionalized mesoporous silica preparation surface structure; erbium immobilized serine functionalized mesoporous silica preparation surface structure; sulfide oxidation heterogeneous catalyst green chem; sulfoxide preparation; nitrile sodium azide heterogeneous catalyst green chem; tetrazole preparation.

Two well-ordered 2D-hexagonal cerium (IV) and erbium (III) embedded functionalized mesoporous MCM-41(MCM-41@Serine/Ce and MCM-41@Serine/Er) was developed via functionalization of mesoporous MCM-41. The surface modification method was used in the preparation of serine-grafted MCM-41 and led to the development of MCM-41@Serine. The reaction of MCM-41@Serine with Ce(NH4)2(NO3)6·2H2O or ErCl3·6H2O in ethanol under reflux led to the organization of MCM-41@Serine/Ce and MCM-41@Serine/Er catalysts. The structures of these catalysts were determined using SEM, mapping, energy-dispersive X-ray spectroscopy, Fourier transform-IR, thermogravimetric anal., X-ray diffraction, inductively coupled plasma and Brunauer-Emmett-Teller anal. These MCM-41@Serine/Ce and MCM-41@Serine/Er catalysts showed outstanding catalytic performance in sulfides oxidation and synthesis of 5-substituted tetrazoles. These catalysts can be recycled for seven repeated reaction runs without showing a considerable decrease in catalytic performance.

Applied Organometallic Chemistry published new progress about Crystallinity. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, HPLC of Formula: 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liu, Xianyuan published the artcileThermally conductive and electrically insulating alumina-coated graphite/phthalonitrile composites with thermal stabilities, Quality Control of 91-15-6, the main research area is alumina coated graphite phthalonitrile composite elec insulating thermal stability.

Alumina-coated graphite (Al2O3@graphite) core-shell particles were firstly synthesized by a liquid-phase chem. precipitation with the aid of sodium dodecyl sulfonate (SDS) surfactant using an inorganic precursor, then to fabricate thermally conductive and elec. insulating phthalonitrile composites by a hot-compression method. The obtained composite with 40 wt% Al2O3@graphite exhibited a thermal conductivity of 1.409 W/mK, 6.6 times that of pristine phthalonitrile matrix (0.214 W/mK). And the composites still retained elec. insulation below 20 wt% Al2O3@graphite content. Moreover, excellent thermal stabilities had been observed, compared with the glass transition temperature of pristine phthalonitriles (460°C), the glass transition temperature of the composites decreased slightly but still high. Addnl., at 20 wt% content, the weight loss temperature (T5 and T10) and the char yield at 1000°C (Yc1000) were 525°C, 589°C and 74.9% which was 8°C, 14°C and 3.1% higher than that of pristine phthalonitriles, resp., which holds potential for use in the high temperature thermal management.

Composites Science and Technology published new progress about Decomposition. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Quality Control of 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Aymonino, Fabrice published the artcileDegradation of PAI/PEI enamel under high temperature (Up to 400♂C), Recommanded Product: Phthalonitrile, the main research area is polyesterimide polyamide imide enamel degradation temperature.

This work deals with the understanding of the degradation of the primary insulation (PEI/PAI) of rotating machines working temporarily under high-temperature The main domain of application of these motors is the smoke extraction either from tunnels or underground parking when a fire occurs. In such a critical situation, the internal temperature of the motor winding may reach temperatures up to 400 °C. Under such very high thermal stresses, the behavior of the elec. insulation is not well understood. This work proposes an anal. of the decomposition gases under very high temperatures and the corresponding degradation pathway. A simple method is proposed to identify whether the insulation of such motors has been strongly damaged during the working time at very high temperatures, thus allowing estimating if it can still continue to operate.

Materials Sciences and Applications published new progress about Decomposition. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

de Souza, Thalita F. M. published the artcileUnsymmetrical zinc(II) phthalocyanine and zinc(II) naphthalocyanine with 2,3-Dicyano-1,4-diphenylnaphthalene precursor, Category: nitriles-buliding-blocks, the main research area is unsym zinc phthalocyanine naphthalocyanine preparation photophys photochem; dicyanodiphenylnaphthalene precursor preparation; Diels Alder diphenylisobenzofuran fumaronitrile.

The synthesis, photophys. and photochem. properties of an unsym. zinc(II) phthalocyanine and zinc(II) naphthalocyanine derivative are described. The precursor 2,3-Dicyano-1,4-diphenylnaphthalene was synthesized by Diels-Alder reaction with 1,3-diphenylisobenzofuran and fumaronitrile. The macrocycles were characterized by MALDI-TOF, FTIR, 1H NMR and UV-vis. On their spectroscopy, the impact of the added aromatic moiety was investigated in solution, observing a bathochromic shift in UV-vis absorption, emission and excitation spectra. The structural and electronic properties indicated that the geometry reorganization during the excitation and relaxation processes, and the dipole moment of the ground state, increases the generation of singlet oxygen in solution

Dyes and Pigments published new progress about Dipole moment. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts