Month: December 2022

Hu, Yong-Xu published the artcileNovel Ir(III) complexes ligated with 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole for highly efficient OLEDs with mild efficiency roll-off, Quality Control of 100-70-9, the main research area is iridium complex ligated difluoropyridinylbenzothiazole OLED efficiency.

2-Phenylbenzothiazole-based Ir(III) complex [(bt)2Ir(acac)] is a class of typical yellow phosphorescence material, which has been widely used in OLEDs. However, (bt)2Ir(acac) exhibited only mild photoluminescence quantum efficiency (PLQY) of 0.26-0.28. To further improve the luminous efficiency of benzothiazole-based Ir(III) complex and then boost the corresponding electroluminescent performance, (fpbt)2Ir(pic) and (fpbt)2Ir(tftp) were successfully synthesized, where 2-(2,6-difluoropyridin-3-yl)benzo[d]thiazole (fpbt) was applied as C∩N main ligand, and 2-pyridine carboxylic acid (pic), 2-(3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl)pyridine (tftp) acted as different auxiliary ligands. Both (fpbt)2Ir(pic) and (fpbt)2Ir(tftp) presented excellent PLQYs (0.93-0.95) and high thermostability (330-360 °C). The vacuum-deposited devices following the architecture of ITO/TAPC/CBP: dopant/TPBi/Liq/Al demonstrated prominent performances. Of them, (fpbt)2Ir(pic)-doped OLEDs exhibited better efficiencies of 20.6%, 68.8 cd A-1, and 40.8 l m W-1 while maintaining very mild efficiency roll-off. Such outstanding electrophosphorescent performances were further investigated, which was probably attributed to the following factors: (1) high PLQY; (2) good electron mobility; (3) uniform film-forming property.

Dyes and Pigments published new progress about Band gap. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Quality Control of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kumar, Deepak published the artcileSyntheses and characterizations of calcium and strontium based coordination compounds with the 5-(2-pyridyl)tetrazolate ligand, respectively exhibiting extended 1 D and 2 D structures, SDS of cas: 100-70-9, the main research area is calcium strontium pyridyltetrazolate complex preparation crystal structure luminescence; thermal stability calcium strontium pyridyltetrazolate complex.

Coordination compounds of calcium and strontium with 5-(2-pyridyl)tetrazolate ligand (2-PTZ) were obtained by the reactions of the resp. metal nitrates with 2-cyanopyridine, 2-cyanoacetamide and sodium azide in aqueous solutions Both the complexes have similar composition i.e. [M(2-PTZ)2(H2O)4]n.2nH2O where M = Ca(II) (1) and Sr(II) (2). The products were characterized by FTIR spectra and single-crystal x-ray diffractions. Their photoluminescences, bandgaps, and thermal properties were studied. Single crystal x-ray diffractions revealed that both 1 and 2 have distorted square anti-prismatic mol. geometries wherein the two 2-PTZ anions act as bidentate ligands by coordinating via their pyridine-N and tetrazole-N atoms. In both the mols. six water mols., of which four acting as monodentate ligands, and the remaining two in the lattices were present. The lattice H2O mols. significantly stabilized the structures through N··H··O hydrogen bonds with the 2-PTZ ligands in the structures. Compound 2 (with around 50% decomposition) shows better thermal stability than calcium-based compound 1(72% decomposition).

Journal of Molecular Structure published new progress about Band gap. 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

Luc, Nhu-Quynh published the artcileDensity Function Theory calculation, and phthalonitrile process for a synthesis of single crystal zinc phthalocyanine, SDS of cas: 91-15-6, the main research area is single crystal zinc phthalocyanine phthalonitrile density function theory.

This study aims to synthesize the β-phase single crystal of zinc phthalocyanine (ZnPc) by using phthalonitrile process and vapor deposition. The single-crystal X-ray diffraction was used to identify the mol. structure and lattice parameters of the synthesized material. The mol. structure, frontier MOs, and IR spectroscopy of ZnPc were investigated through Time Dependent (TD)-D. Function Theory (DFT) calculations that is compared with exptl. results. For the solid-state simulation, the exptl. crystallog. data was used to determine band structure and d. of state using DFT method on Quantum Espresso. The β-phase monoclinic single crystal of ZnPc is as a direct band gap semiconductor with the calculated energy gap of 2.1 eV, and the Fermi energy level of 2.61 eV.

Materials Science in Semiconductor Processing published new progress about Band gap. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, SDS of cas: 91-15-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Manning, Trevor W. published the artcileStructure of an unusual tetracyclic deoxyguanosine adduct: Implications for frameshift mutagenicity of ortho-cyano nitroanilines, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is structure tetracyclic deoxyguanosine adduct frameshift mutagenicity orthocyanonitroaniline.

Nitroarom. compounds represent a major class of industrial chems. that are also found in nature. Polycyclic derivatives are regarded as potent mutagens and carcinogens following bioactivation to produce nitrenium electrophiles that covalently modify DNA to afford N-linked C8-2′-deoxyguanosine (C8-dG) lesions that can induce frameshift mutations, especially in CpG repeat sequences. In contrast, their monocyclic counterparts typically exhibit weak mutagenicity or a lack thereof, despite also undergoing bioactivation to afford N-linked C8-dG adducts. Recently, it has been reported that cyano substitution can greatly increase the mutagenicity of nitroaniline derivatives that are components of azo dyes. The basis of this “”cyano effect”” may be rooted in the formation of a novel polycyclic adduct arising from initial formation of the N-linked C8-dG adduct followed by a cyclization process involving N7 of dG and the ortho-CN group of the attached C8-aryl moiety to generate a quinazolinimine ring as part of a fused tetracyclic C8,N7-dG adduct structure. The present work structurally characterizes this novel cyclic adduct using a combination of optical spectroscopies, NMR anal., d. functional theory (DFT) calculations, and mol. dynamics (MD) simulations. Our data indicate that this highly fluorescent cyclic adduct adopts the promutagenic syn conformation and can stabilize the slipped mutagenic intermediate (SMI) within the CpG repeat of the NarI sequence, which is a hotspot for frameshift mutagenesis mediated by polycyclic N-linked C8-dG adducts. In contrast, the open para-CN (4-aminobenzontrile-derived) N-linked C8-dG adduct is less likely to disrupt the canonical B-form. Together, our results provide a rationale for the potent mutagenicity of cyano-substituted nitroaniline derivatives recently reported in frameshift-sensitive tester strains.

Chemical Research in Toxicology published new progress about Azo dyes. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

V., Bhavadhaarani published the artcileCombined treatment of synthetic textile effluent using mixed azo dye by phyto and phycoremediation, Recommanded Product: 2,3-Dimethoxybenzonitrile, the main research area is azo dye textile effluent phytoremediation bioadsorptive wastewater treatment; Phycoremediation; phytoremediation; textile effluent.

Phytoremediation is one of the biol. approaches for remediating textile dyeing effluents. The objective of this study is the use of Pistia stratiotes, an aquatic macrophyte, which was found to degrade the maximum of 83% of mixed azo dye. A phytoreactor was designed and constructed to scale up the process of phytoremediation by P. stratiotes to treat 40mg/l of synthetic textile effluent. Continuous flow phytoreactor fed with 40mg/l (cycle 1) which showed maximum decolorization of 84%, COD removal was about 61%, BOD which was reduced up to 71.9%, and TDS removal was about 72% resp. Further to remove the residual color and toxic effects of the dyes, Phycoremediation was followed for the mixed azo dyes using the microalgae Chlorella vulgaris which showed a maximum decolorization of 99% in the batch study and 74% in the scale-up study where the treated effluent was at the most minimal discharge. Phytotoxicity tests showed 80% of germination in treated effluent, and the plants in untreated wastewater had inhibited growth that indicates only 30% of germination. Such combined biol. treatment techniques were put forward to be the most eco-friendly technol., which is cost-effective and attain zero discharge of the textile effluent.

International Journal of Phytoremediation published new progress about Azo dyes. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Recommanded Product: 2,3-Dimethoxybenzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhao, Yun-Xiu published the artcileNeonicotinoid thiacloprid transformation by the N2-fixing bacterium Microvirga flocculans CGMCC 1.16731 and toxicity of the amide metabolite, Recommanded Product: Picolinonitrile, the main research area is Microvirga Daphnia neonicotinoid thiacloprid transformation amide metabolite toxicity.

Thiacloprid is a widely-used neonicotinoid insecticide, but its enzymic conversion and the toxicity of the amide metabolite are poorly understood. Here, a N2-fixing bacterium, Microvirga flocculans CGMCC 1.16731, was reported to metabolize thiacloprid via hydration and hydroxylation to thiacloprid amide and 4-hydroxy thiacloprid resp. M. flocculans transformed 90.5% of 0.63 mmol/L thiacloprid in 30 h with a half-life of 9.0 h. In soil, the bacterium transformed 92.4% of 80 μmol/kg soil thiacloprid in 9 d. A cobalt-type nitrile hydratase (NHase) composed of an α-subunit (TnhA) and a β-subunit (TnhB) converted thiacloprid to thiacloprid amide. Co-expression of activator (TnhC) with NHase could improve the TnhA solubility and therefore enhanced 4-folds higher NHase activity. The NHase produced recombinantly in Escherichia coli transformed 97% of 0.76 mmol/L thiacloprid in 10 min. M. flocculans NHase had a Km value of 0.63 mmol/L and Vmax of 10.2 μmol/min/mg toward thiacloprid. Thiacloprid amide has higher toxic effect on growth of M. flocculans than thiacloprid, whereas lower toxic on the aquatic invertebrate Daphnia magna. Both thiacloprid and thiacloprid amide inhibited tnhA transcription. This increases our understanding of the enzymic mechanism of environmental fate of thiacloprid and toxicity of its amide metabolite toward soil microbes and aquatic organisms.

International Biodeterioration & Biodegradation published new progress about Aquation. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Recommanded Product: Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Cai, Xue published the artcileDimeric phthalocyanine-involved double-decker complex-based electrochemical sensor for simultaneous detection of acetaminophen and ascorbic acid, Application of Phthalonitrile, the main research area is acetaminophen ascorbic acid phthalocyanine double decker complex electrochem sensor.

An electrochem.sensor for simultaneous detection of acetaminophen (APAP) and ascorbic acid (AA) is firstly developed by using the self-assembled film of a novel dimeric bis(phthalocyaninato) europium complex, [{Pc(SC2H5)8}Eu{BiPc(SC2H5)12}Eu{Pc(SC2H5)8}] (1) coated onto ITO (fim-1/ITO) fabricated through a solution-processing quasi-LangmuirShafer (QLS) protocol. A combination of unique sandwich mol.structure with extented π-conjugated system and J-type aggregates with quite uniform nanograins (ca.15 nm) formed on ITO substrate render the film of 1 the excellent charge transfer ability and abundant electroactive sites, resulting in sensitive detection of APAP and AA with the good sensitivities of 254 and 85.6 mA μM-1 cm-2 and low detection limits of 1.3 and 3.7 μM for APAP and AA resp. More importantly, a simultaneous determinationof APAP and AA at a coexisting system of APAP and AA is also achieved with the still good sensitivities of 317 and 64.7 mA μM-1 cm-2, and low detection limits of 1.0 and 4.9 μM for APAP and AA resp. This work represents the first example of tetrapyrrole-based organicsemiconductor electrochem.sensor for simultaneous detection of APAP and AA with excellent sensing performance, implying the great application potential of electroactive sandwich rare earth tetrapyrrole compoundsin the nonenzymic electrochem.sensors.

Journal of Materials Science: Materials in Electronics published new progress about Analysis. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Application of Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts