Month: December 2022

Cuate-Gomez, D. H. published the artcilePolycrystalline Erbium Phthalocyanine Thin Films Deposited on Silicon and Porous Silicon by Ultrasonic Spray Pyrolysis: Optical, Morphological, and Electrical Characterizations, Quality Control of 91-15-6, the main research area is erbium phthalocyanine polycrystalline thin film silicon ultrasonic spray pyrolysis.

Conventional inorganic semiconductors are the basis of modern electronics but their properties limit performance for certain applications. Two relevant applications for which these materials are not suitable are: (1) non-planar or flexible devices and (2) large-area prototypes. This limitation has driven the research of a new generation of thin film organic semiconductor materials that can be incorporated in hybrid heterostructures. These materials can be deposited on different substrates at low temperatures and at low cost, from a solution by using a simple method such as spin-coating. Here, we report the development of a low-cost ultrasonic spray pyrolysis (USP) instrument to obtain, by a simple and efficient technique, erbium phthalocyanine (ErPc) polycrystalline thin films incorporated into the Al/c-Si/ErPc/Ni and Al/c-Si/PS/ErPc/Ni heterostructures and their concomitant characterization. For the formation of the porous silicon (PS) layer and the deposition of the ErPc material, metal-assisted chem. etching (MACE) and USP were resp. used. The morphol., optical, and elec. properties were studied thoroughly. FE-SEM micrographs show a noteworthy result; non-agglomerated nanosphere particles were obtained on the c-Si substrates in contrast with the PS layer, where agglomerations are pretty apparent to the sight. Different equations were tested to find the transport mechanism in the heterostructures and the best fit was for the space charge limited current (SCLC) type. Finally, current-time (I-T) measurements were carried out to gain insight into the photocurrent effects. These results show a photo-response with a reverse polarization, and this can be applied for the design of organic hybrid heterostructures in photo-sensor applications.

Journal of Electronic Materials published new progress about Current density. 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

Graves, Brian M. published the artcileComprehensive characterization of mainstream marijuana and tobacco smoke, Recommanded Product: Picolinonitrile, the main research area is marijuana tobacco smoke particle aerodynamics.

Recent increases in marijuana use and legalization without adequate knowledge of the risks necessitate the characterization of the billions of nanoparticles contained in each puff of smoke. Tobacco smoke offers a benchmark given that it has been extensively studied. Tobacco and marijuana smoke particles are quant. similar in volatility, shape, d. and number concentration, albeit with differences in size, total mass and chem. composition Particles from marijuana smoke are on average 29% larger in mobility diameter than particles from tobacco smoke and contain 3.4 times more total mass. New measurements of semivolatile fractions determined that >97% of the mass and volume of the particles from either smoke source are comprised of semivolatile compounds For tobacco smoke and marijuana smoke, resp., 4350 and 2575 different compounds are detected, of which 670 and 536 (231 in common) are tentatively identified, and of these, 173 and 110 different compounds (69 in common) are known to cause neg. health effects through carcinogenic, mutagenic, teratogenic, or other toxic mechanisms. This study demonstrates striking similarities between marijuana and tobacco smoke in terms of their phys. and chem. properties.

Scientific Reports published new progress about Carcinogenicity. 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

Roy, Palas published the artcileUltrafast Excimer Formation and Solvent Controlled Symmetry Breaking Charge Separation in the Excitonically Coupled Subphthalocyanine Dimer, Product Details of C8H4N2, the main research area is ultrafast excimer formation solvent control symmetry breaking charge separation; excimer; excited states; subphthalocyanine; symmetry breaking charge separation; ultrafast dynamics.

Knowledge of the factors controlling excited state dynamics in excitonically coupled dimers and higher aggregates is critical for understanding natural and artificial solar energy conversion. In this work, we report ultrafast solvent polarity dependent excited state dynamics of the structurally well-defined subphthalocyanine dimer, μ-OSubPc2. Stationary electronic spectra demonstrate strong exciton coupling in μ-OSubPc2. Femtosecond transient absorption measurements reveal ultrafast excimer formation from the initially excited exciton, mediated by intramol. structural evolution. In polar solvents the excimer state decays directly through symmetry breaking charge transfer to form a charge separated state. Charge separation occurs under control of solvent orientational relaxation.

Angewandte Chemie, International Edition published new progress about Broken symmetry. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Product Details of C8H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Huang, Adrian published the artcileDiscovery of 2-[1-(4-Chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic Acid (PSI-421), a P-Selectin Inhibitor with Improved Pharmacokinetic Properties and Oral Efficacy in Models of Vascular Injury, Related Products of nitriles-buliding-blocks, the main research area is quinoline preparation P selectin inhibitor SAR.

Previously, we reported the discovery of PSI-697 (1a), a C-2 benzyl substituted quinoline salicylic acid-based P-selectin inhibitor. It is active in a variety of animal models of cardiovascular disease. Compound 1a has also been shown to be well tolerated and safe in healthy volunteers at doses of up to 1200 mg in a phase 1 single ascending dose study. However, its oral bioavailability was low. Our goal was to identify a back up compound with equal potency, increased solubility, and increased exposure. We expanded our structure-activity studies in this series by branching at the α position of the C-2 benzyl side chain and through modification of substituents on the carboxylic A-ring of the quinoline. This resulted in discovery of PSI-421 with marked improvement in aqueous solubility and pharmacokinetic properties. This compound has shown oral efficacy in animal models of arterial and venous injury and was selected as a preclin. development compound for potential treatment of such diseases as atherosclerosis and deep vein thrombosis.

Journal of Medicinal Chemistry published new progress about Arterial injury. 97009-67-1 belongs to class nitriles-buliding-blocks, name is 1-(4-Fluorophenyl)cyclopropanecarbonitrile, and the molecular formula is C10H8FN, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Rucka, Lenka published the artcileGenetic and functional diversity of nitrilases in Agaricomycotina, Application of Picolinonitrile, the main research area is Agaricomycotina nitrilase genetic diversity phylogeny; Agaricomycotina; Basidiomycota; cyanide hydratase; homology modeling; nitrilase; nitrile; overproduction; phylogenetic distribution; substrate docking; substrate specificity.

Nitrilases participate in the nitrile metabolism in microbes and plants. They are widely used to produce carboxylic acids from nitriles. Nitrilases were described in bacteria, Ascomycota and plants. However, they remain unexplored in Basidiomycota. Yet more than 200 putative nitrilases are found in this division via GenBank. The majority of them occur in the subdivision Agaricomycotina. In this work, we analyzed their sequences and classified them into phylogenetic clades. Members of clade 1 (61 proteins) and 2 (25 proteins) are similar to plant nitrilases and nitrilases from Ascomycota, resp., with sequence identities of around 50%. The searches also identified five putative cyanide hydratases (CynHs). Representatives of clade 1 and 2 (NitTv1 from Trametes versicolor and NitAg from Armillaria gallica, resp.) and a putative CynH (NitSh from Stereum hirsutum) were overproduced in Escherichia coli. The substrates of NitTv1 were fumaronitrile, 3-phenylpropionitrile, β-cyano-l-alanine and 4-cyanopyridine, and those of NitSh were hydrogen cyanide (HCN), 2-cyanopyridine, fumaronitrile and benzonitrile. NitAg only exhibited activities for HCN and fumaronitrile. The substrate specificities of these nitrilases were largely in accordance with substrate docking in their homol. models. The phylogenetic distribution of each type of nitrilase was determined for the first time.

International Journal of Molecular Sciences published new progress about Agaricomycotina. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Application of Picolinonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Giri, Ramesh published the artcileSynthetic Applications of Pd(II)-Catalyzed C-H Carboxylation and Mechanistic Insights: Expedient Routes to Anthranilic Acids, Oxazolinones, and Quinazolinones, HPLC of Formula: 68569-14-2, the publication is Journal of the American Chemical Society (2010), 132(2), 686-693, database is CAplus and MEDLINE.

A Pd(II)-catalyzed reaction protocol for the carboxylation of ortho-C-H bonds in anilides to form N-acyl anthranilic acids has been developed. This reaction procedure provides a novel and efficient strategy for the rapid assembly of biol. and pharmaceutically significant mols., such as benzoxazinones and quinazolinones, from simple anilides without installing and removing an external directing group. The reaction conditions are also amenable to the carboxylation of N-phenylpyrrolidinones. A monomeric palladacycle containing p-toluenesulfonate as an anionic ligand has been characterized by X-ray crystallog., and the crucial role of p-toluenesulfonic acid in the activation of C-H bonds in the presence of carbon monoxide is discussed. Identification of two key intermediates, a mixed anhydride and benzoxazinone formed by reductive elimination from organometallic Ar(CO)Pd(II)-OTs species, provides mechanistic evidence for a dual-reaction pathway.

Journal of the American Chemical Society published new progress about 68569-14-2. 68569-14-2 belongs to nitriles-buliding-blocks, auxiliary class Palladium, name is Tetrakis(acetonitrile)palladium(II) Ditriflate, and the molecular formula is C10H12F6N4O6PdS2, HPLC of Formula: 68569-14-2.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Dianati, Vahid published the artcileIncreasing C-Terminal Hydrophobicity Improves the Cell Permeability and Antiproliferative Activity of PACE4 Inhibitors against Prostate Cancer Cell Lines, Application of (E)-4-(2-Nitrovinyl)benzonitrile, the publication is Journal of Medicinal Chemistry (2018), 61(18), 8457-8467, database is CAplus and MEDLINE.

The serine protease, PACE4, is a proprotein convertase that plays a substantial role in malignancy of prostate cancer. Our initial selective PACE4 inhibitor (Ac-LLLLRVKR-NH₂) has evolved to the current lead compound C23 (Ac-DLeu-LLLRVK-Amba), which is active both in vitro and in vivo. By screening natural residues, except Cys, in C-terminal P1′ position, it was established that increasing hydrophobicity was improving cell permeability, which was directly translated into PCa cells antiproliferative activity. This cell antiproliferation enhancement seems independent from effect of P1′ residue on PACE4 affinity. Replacement of P1-Amba of C23 by Acpa ((S)-2-amino-3-(4-carbamimidoylphenyl)propanoic acid) followed by addition of tryptamine in P1′ resulted in compound 32 exhibiting superior PCa cells antiproliferative activity over the reference compound C23 (3-fold). This study sheds light on key factors that improve cell penetrating property and antiproliferative activity of PACE4 inhibitors.

Journal of Medicinal Chemistry published new progress about 5153-73-1. 5153-73-1 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Alkenyl,Nitro Compound,Benzene, name is (E)-4-(2-Nitrovinyl)benzonitrile, and the molecular formula is C9H6N2O2, Application of (E)-4-(2-Nitrovinyl)benzonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Rastogi, R. R. published the artcileKetene SS-acetals. Part 9. Reaction of α-oxo- and α-cyano-ketene SS-acetals with cyanoacetamide: a new general method for substituted and fused 4-alkylthio-3-cyano-2(1H)-pyridones and formation of novel pyridones through base-induced rearrangements, Safety of 6-Methyl-4-(methylthio)-2-oxo-1,2-dihydropyridine-3-carbonitrile, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1978), 549-53, database is CAplus.

Fourteen acylketene S,S-acetals RCOCR¹:C(SR²)₂ (R = aryl, pyridyl, alkyl; R¹ = H, aryl; R² = alkyl, aralkyl), on treatment with NCCH₂CONH₂ in base, gave 65-85% pyridones I. α-Cyanoacetals NCCR:C(SMe)₂ (R = CN, Ph, p-ClC₆H₄, p-MeC₆H₄) gave lower yields of the corresponding 6-aminopyridones. The method was successfully extended to cyclic ketene S,S-acetals, giving fused pyridones, benzoquinolone derivatives, and a (benzocyclohepta)pyridone derivative α-Alkyl-α-acylketene S,S-acetals with NCCH₂CONH₂ gave novel pyridones, e.g. II (R = MeSCH₂, CH₂:CH), formed by initial base induced proton migration in these acetals.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 57663-05-5. 57663-05-5 belongs to nitriles-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Tetrahydropyrimidins, name is 6-Methyl-4-(methylthio)-2-oxo-1,2-dihydropyridine-3-carbonitrile, and the molecular formula is C8H8N2OS, Safety of 6-Methyl-4-(methylthio)-2-oxo-1,2-dihydropyridine-3-carbonitrile.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Larson, Peter published the artcileDesign and Synthesis of N1-Modified Imidazoquinoline Agonists for Selective Activation of Toll-like Receptors 7 and 8, Application In Synthesis of 5098-14-6, the publication is ACS Medicinal Chemistry Letters (2017), 8(11), 1148-1152, database is CAplus and MEDLINE.

A series of N1-modified imidazoquinolines were synthesized and screened for Toll-like receptors (TLR) 7 and 8 activities to identify recognition elements that confer high affinity binding and selectivity. These receptors are key targets in the development of immunomodulatory agents that signal the NF-κB mediated transcription of pro-inflammatory chemokines and cytokines. Results are presented showing both TLR7/8 activations are highly correlated to N1-substitution, with TLR8 selectivity achieved through inclusion of an ethyl-, propyl-, or butylamino group at this position. While the structure-activity relationship anal. indicates TLR7 activity is less sensitive to N1-modification, extension of the aminoalkyl chain length to pentyl and p-methylbenzyl elicited high affinity TLR7 binding. Cytokine profiles are also reported that show the pure TLR8 agonist [4-amino-2-butyl-1-(2-aminoethyl)-7-methoxycarbonyl-1H-imidazo[4,5-c]quinoline] (I) induces higher levels of IL-1β, IL-12, and IFNγ when compared with TLR7 selective or mixed TLR7/8 agonists. The results are consistent with previous work suggesting TLR8 agonists are Th1 polarizing and may help promote cell-mediated immunity.

ACS Medicinal Chemistry Letters published new progress about 5098-14-6. 5098-14-6 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Salt,Sulfonic acid,Amine,Benzene, name is 2-Aminomalononitrile 4-methylbenzenesulfonate, and the molecular formula is C10H11N3O3S, Application In Synthesis of 5098-14-6.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts

Cox, Oakley B. published the artcileA poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain, Category: nitriles-buliding-blocks, the publication is Chemical Science (2016), 7(3), 2322-2330, database is CAplus and MEDLINE.

Research into the chem. biol. of bromodomains has been driven by the development of acetyl-lysine mimetics. The ligands are typically anchored by binding to a highly conserved asparagine residue. Atypical bromodomains, for which the asparagine is mutated, have thus far proven elusive targets, including PHIP(2) whose parent protein, PHIP, has been linked to disease progression in diabetes and cancers. The PHIP(2) binding site contains a threonine in place of asparagine, and solution screening have yielded no convincing hits. We have overcome this hurdle by combining the sensitivity of X-ray crystallog., used as the primary fragment screen, with a strategy for rapid follow-up synthesis using a chem.-poised fragment library, which allows hits to be readily modified by parallel chem. both peripherally and in the core. Our approach yielded the first reported hit compounds of PHIP(2) with measurable IC₅₀ values by an AlphaScreen competition assay. The follow-up libraries of four poised fragment hits improved potency into the sub-mM range while showing good ligand efficiency and detailed structural data.

Chemical Science published new progress about 5098-14-6. 5098-14-6 belongs to nitriles-buliding-blocks, auxiliary class Nitrile,Salt,Sulfonic acid,Amine,Benzene, name is 2-Aminomalononitrile 4-methylbenzenesulfonate, and the molecular formula is C10H11N3O3S, Category: nitriles-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Nitrile,
Nitriles – Chemistry LibreTexts