Month: October 2022

Wang, Jianjian; Tang, Qingjie; Jin, Shiwei; Wang, Yanxin; Yuan, Ziliang; Chi, Quan; Zhang, Zehui published the artcile< Mild and selective hydrogenation of nitriles into primary amines over a supported Ni catalyst>, Electric Literature of 3731-53-1, the main research area is selective hydrogenation nitrile nickel catalyst alumina support green chem.

The development of new heterogeneous non-noble catalytic systems for the selective hydrogenation of nitriles into primary amines is a challenging task. In this study, a mesoporous Al2O3-supported Ni catalyst (denoted as Ni/Al2O3-600, where 600 represents the reduction temperature) demonstrated a high catalytic activity for the hydrogenation of nitriles under mild conditions (60-80°C and 2.5 bar H2) with ammonia as the additive. This catalytic system has a wide substrate range; and the Ni/Al2O3 catalyst demonstrated a good tolerance to other functional groups, which was possibly due to its high catalytic activity under mild conditions. A plausible reaction pathway was proposed for the hydrogenation of nitriles into primary amines, and it was found that ammonia played a great role in the enhancement of the selectivity of primary amines by the inhibition of the side reaction to generate secondary amines. In addition, the Ni/Al2O3-600 catalyst could be reused five times without activity loss through convenient magnetic recovery.

New Journal of Chemistry published new progress about Aromatic nitriles Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Electric Literature of 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Haward, Simon J.; Hopkins, Cameron C.; Shen, Amy Q. published the artcile< Stagnation points control chaotic fluctuations in viscoelastic porous media flow>, Safety of 1-Hexadecylpyridin-1-ium chloride, the main research area is viscoelastic porous media flow; elastic turbulence; porous media; stagnation point; viscoelastic fluid.

Viscoelastic flows through porous media become unstable and chaotic beyond critical flow conditions, impacting widespread industrial and biol. processes such as enhanced oil recovery and drug delivery. Understanding the influence of the pore structure or geometry on the onset of flow instability can lead to fundamental insights into these processes and, potentially, to their optimization. Recently, for viscoelastic flows through porous media modeled by arrays of microscopic posts, Walkama et al. [D. M. Walkama, N. Waisbord, J. S. Guasto, Phys. Rev. Lett. 124, 164501 (2020)] demonstrated that geometric disorder greatly suppressed the strength of the chaotic fluctuations that arose as the flow rate was increased. However, in that work, disorder was only applied to one originally ordered configuration of posts. Here, we demonstrate exptl. that, given a slightly modified ordered array of posts, introducing disorder can also promote chaotic fluctuations. We provide a unifying explanation for these contrasting results by considering the effect of disorder on the occurrence of stagnation points exposed to the flow field, which depends on the nature of the originally ordered post array. This work provides a general understanding of how pore geometry affects the stability of viscoelastic porous media flows.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Birefringence. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Safety of 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Howlader, Prodip; Ahmed, Shakil; Mondal, Surajit; Zangrando, Ennio; Mukherjee, Partha Sarathi published the artcile< Conformation-Selective Self-Assembly of Pd6 Trifacial Molecular Barrels Using a Tetrapyridyl Ligand>, Application of C7H7NO, the main research area is Conformation Selective Self Assembly palladium trifacial mol barrel tetrapyridyl; crystallog NMR Self Assembly palladium trifacial mol barrel tetrapyridyl.

A conformationally flexible tetrapyridyl ligand L was assembled sep. with three cis-blocked 90° PdII acceptors (M1, M2, and M3) containing different blocking diamines. Surprisingly, different conformations of the donor L were arrested by the acceptors depending on the nature of the blocking amine, leading to the formation of isomeric Pd6 barrels (B1, B2, and B3). B2 and B3 with larger windows have been used to encapsulate polyaromatic hydrocarbons.

Inorganic Chemistry published new progress about Conformation. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application of C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Koseki, Shiro; Yoshinaga, Harunobu; Asada, Toshio; Matsushita, Takeshi published the artcile< Spin-orbit coupling analyses of phosphorescent processes in Ir(Zppy)3 (Z = NH2, NO2 and CN)>, Reference of 370878-69-6, the main research area is tris phenylpyridinato iridium complex phosphorescent process spin orbit coupling.

Substituent effects of NH2, NO2 and CN groups on phosphorescence in fac-tris(2-phenylpyridinato)iridium(III) [fac-Ir(ppy)3] were examined theor. by using the multiconfiguration SCF (MCSCF) method together with the SBKJC basis sets augmented by a set of polarization functions, followed by second-order CI (SOCI) and spin-orbit coupling (SOC) calculations, while time-dependent d. functional theory (TD DFT) calculations provided too long wavelengths for phosphorescent peaks at the geometries optimized for triplet states even though the TD DFT predictions were qual. good with respect to relative spectral shifts. The strongest electron-donating substituent NH2 and the strongest electron-withdrawing substituents, NO2 and CN, were chosen for investigation of the substituent effects in the present investigation. It was found that when these electron-withdrawing substituents are introduced into the Z5 sites, the largest blue shift is obtained for the emission spectra, while the introduction of the electron-donating NH2 substituent causes a red shift of the emission spectra. This is because the Z5 site has non-negligible coefficients in the HOMO (HOMO) and can interact with the π* orbitals of the substituents. This interaction makes the HOMO lower in energy. This is the reason why a large blue shift of the emission peak is obtained when one of these substituents is introduced to the Z5 sites. Based on the results of the calculation, it can be said that the best material for blue-color emission is tris(5-nitro-2-phenylpyridinato) iridium(III) [fac-Ir(5-NO2ppy)3] or tris(5-nitro-4,6-difluoro-2-phenylpyridinato)iridium(III) [fac-Ir(5-NO2-4,6-dfppy)3]. If the reactivity of the NO2 substituent in the lowest triplet state becomes troublesome in the synthesis processes and/or if it is difficult to choose host mols. for an emissive layer, tris(5-cyano-3,4,6-trifluoro-2-phenylpyridinato)iridium(III) [fac-Ir(5-CN-3,4,6-tfppy)3] would be the most appropriate for blue-color emission.

RSC Advances published new progress about Bond angle. 370878-69-6 belongs to class pyridine-derivatives, and the molecular formula is C33H21F3IrN3, Reference of 370878-69-6.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Guoqi; Li, Sihan; Zeng, Haisu; Zheng, Shengping; Neary, Michelle C. published the artcile< Diplumbane-catalysed solvent- and additive-free hydroboration of ketones and aldehydes>, Application In Synthesis of 350-03-8, the main research area is alc preparation chemoselective; ketone aldehyde pinacolborane hydroboration diplumbane catalyst.

A new diplumbane, namely [Pb(CH2SiMe3)3]2, was synthesized and structurally characterized. This group 14 element compound was found to catalyze the hydroboration of ketones R1C(O)R2 (R1 = Ph, 4-fluorophenyl, naphthalen-2-yl, pyridin-3-yl, cyclohexyl, etc.; R2 = H, Me, cyclopropyl, 2-phenylethyl) and aldehydes R3CHO (R3 = Ph, 4-chlorophenyl, 2H-1,3-benzodioxol-5-yl, 2-(methylsulfanyl)phenyl, etc.) under mild conditions without the use of additives and solvents, leading to the synthesis of a range of alcs. R1CH(OH)R2/R3CH2OH in high yields after hydrolysis.

RSC Advances published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Application In Synthesis of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chauhan, Archana; Langyan, Ritu published the artcile< Preparation and optical features of samarium(III) complexes introducing bidentate fluorinate and secondary ligands>, HPLC of Formula: 366-18-7, the main research area is samarium complex bidentate fluorinate optical feature secondary ligand.

The syntheses of five luminescent samarium(III) complexes based on 6-Fluoro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (L) and bidentate ancillary ligands were reported. The bidentate ancillary ligands were 1, 10-phenanthroline, 2, 2′-bipyridine, neocuproine, and bathophenanthroline. The complexes were characterized by employing elemental anal., UV, FTIR, ESI-MS+ spectrometry, TGA, FESEM, and PXRD. The luminescence properties of complexes in solution and powder state have been discussed to investigate optical characterization. The complexes display characteristic luminescence peaks of samarium(III) ion at ∼ 566, 600, and 647 nm. Different coordination environments around samarium(III) ion in DMSO solution and powder state result in different emission colors: bright orange and red color with intense peaks at ∼ 600 nm and ∼ 647 nm. The luminescent quantum yield, decay time, CCT, and CIE coordinates were considered. The replacement of aqua ligands by the bidentate subsidiary ligands from the parent complex enriched emission properties, thermal stability, decay time, and quantum yields. Interesting optical properties of complexes in the orange-red spectral region might be useful in electronic devices, bio-assays, and liquid lasers.

Journal of Materials Science: Materials in Electronics published new progress about Bidentate ligands Role: TEM (Technical or Engineered Material Use), USES (Uses). 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hageman, Jeske H. J.; Nieuwenhuizen, Arie G.; van Ruth, Saskia M.; Hageman, Jos A.; Keijer, Jaap published the artcile< Application of Volatile Organic Compound Analysis in a Nutritional Intervention Study: Differential Responses during Five Hours Following Consumption of a High- and a Low-Fat Dairy Drink>, Related Products of 350-03-8, the main research area is volatile organic compound fat dairy drink; breath analysis; breathomics; inter- and intraindividual variation; lipids; volatile organic compounds (VOCs).

Scope : Exhaled volatile organic compounds (VOCs) are a possible relevant target for noninvasive assessment of metabolic responses. Using a breathomics approach, it is aimed to explore whether lipid intake influences VOC profiles in exhaled air, and to obtain insight in intra- and interindividual variations. Methods and results : Three human interventions are performed. In the first, 12 males consume a high-fat drink on three study days. In the second, 12 males receive a high- and a low-fat drink on 6 days. In the third, three volunteers consume the high-fat drink again for tentative compound identification. Participants are asked to exhale, for 5 h postprandial with 15-20 min intervals, into a proton-transfer-reaction mass spectrometer, and VOCs in exhaled air are measured. Consumption of a drink alters the VOC profile, with considerable interindividual variation and quant. intraindividual differences between days. Consumption of two different drinks results in a distinct VOC profile, caused by several specific m/z values. Most of these compounds are identified as being related to ketone body formation and lipid oxidation, showing an increase in high- vs. low-fat drink. Conclusion : Exhaled VOCs have the potential to assess differences in metabolic responses induced by nutrition, especially when day-to-day variation can be minimized.

Molecular Nutrition & Food Research published new progress about Beverages. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kufka, Rainer; Rennert, Robert; Kaludjerovic, Goran N.; Weber, Lutz; Richter, Wolfgang; Wessjohann, Ludger A. published the artcile< Synthesis of a tubugi-1-toxin conjugate by a modulizable disulfide linker system with a neuropeptide Y analogue showing selectivity for hY1R-overexpressing tumor cells>, Safety of 1,2-Di(pyridin-2-yl)disulfane, the main research area is breast colon prostate cancer tubugi 1 toxin neuropeptide Y; PDC; Ugi reaction; drug targeting; neuropeptide Y; peptide–drug conjugate; targeted tumor therapy; tubugi; tubulysin A.

Tubugi-1 is a small cytotoxic peptide with picomolar cytotoxicity. To improve its cancer cell targeting, it was conjugated using a universal, modular disulfide derivative This allowed conjugation to a neuropeptide-Y (NPY)-inspired peptide [K4(C-βA-),F7,L17,P34]-hNPY, acting as NPY Y1 receptor (hY1R)-targeting peptide, to form a tubugi-1-SS-NPY disulfide-linked conjugate. The cytotoxic impacts of the novel tubugi-1-NPY peptide-toxin conjugate, as well as of free tubugi-1, and tubugi-1 bearing the thiol spacer (liberated from tubugi-1-NPY conjugate), and native tubulysin A as reference were investigated by in vitro cell viability and proliferation screenings. The tumor cell lines HT-29, Colo320 (both colon cancer), PC-3 (prostate cancer), and in conjunction with RT-qPCR analyses of the hY1R expression, the cell lines SK-N-MC (Ewing′s sarcoma), MDA-MB-468, MDA-MB-231 (both breast cancer) and 184B5 (normal breast; chem. transformed) were investigated. As hoped, the toxicity of tubugi-1 was masked, with IC50 values decreased by ca. 1,000-fold compared to the free toxin. Due to intracellular linker cleavage, the cytotoxic potency of the liberated tubugi-1 that, however, still bears the thiol spacer (tubugi-1-SH) was restored and up to 10-fold higher compared to the entire peptide-toxin conjugate. The conjugate shows toxic selectivity to tumor cell lines overexpressing the hY1R receptor subtype like, e.g., the hard to treat triple-neg. breast cancer MDAMB- 468 cells.

Beilstein Journal of Organic Chemistry published new progress about Antitumor agents. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Safety of 1,2-Di(pyridin-2-yl)disulfane.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gangireddy, Madhu Sudhana Reddy; Mantipally, Manohar; Badavath, Vishnu Nayak; Maddipati, Venkatanarayana Chowdary; Paidikondala, Kalyani; Katari, Naresh Kumar; Gundla, Rambabu published the artcile< Design, synthesis and molecular docking of piperidin-4-amine linked pyrimidine derivatives as potent anticancer agents>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is aminopiperidinyl hydroxycyclohexylamino pyrimidine carboxamide preparation cytotoxicity antitumor SAR docking.

A series of rationally designed novel hybrid piperidin-4-amine linked pyrimidine derivatives I [R = n-propylamino, cyclobutylamino, phenylethylamino, etc.] were synthesized. Compound I [R = 3,4-dimethoxyphenylethylamino] was found to be most potent with (IC50 = 1.92μM, 60.94% inhibition), while I [R = 4-pyridylethylamino] (IC50 of 5.2μM, 66.45% inhibition), the second most potent among all, against HepG2 human liver cancer cell lines. Compounds I [R = 4-pyridylethylamino, 4-fluorophenylmethylamino] exhibited excellent inhibition percentages of 66.45 and 68.76 resp., compared to pos. control Paclitaxel (62.12%). In-silico target hunting for the potent compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] revealed two possible targets, one was binding with human estrogen receptor and other one was inhibiting tubulin polymerization The mol. docking studies suggested that compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] with hydrophobic group linked by an alkyl chain may facilitate free access in the Helix 12 domain (in determining potency plays a crucial role) in the human estrogen receptor’s active and also inhibiting the tubulin polymerase by binding site at α/β-tubuline interface at colchicine binding site.

Chemical Data Collections published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Recommanded Product: Pyridin-4-ylmethanamine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Verma, Meenakshi; Chaudhary, Monika; Singh, Amanpreet; Kaur, Navneet; Singh, Narinder published the artcile< Naphthalimide-gold-based nanocomposite for the ratiometric detection of okadaic acid in shellfish>, Application of C6H8N2, the main research area is naphthalimide gold nanocomposite nanoparticle okadaic acid shellfish.

Okadaic acid (OA) is one of the known marine biotoxins produced by various dinoflagellates and exists in seafood such as shellfish. The consumption of contaminated shellfish with OA leads to diarrheic shellfish poisoning (DSP), which results in the inhibition of protein phosphatase enzymes in humans. This poisoning can cause immunotoxicity and tumor promotion due to the accumulation of okadaic acid in more than the allowed limit in bivalve molluscs. The reported methods for the detection of okadaic acid include mouse bioassays, immunoassays, chromatog. coupled with spectroscopic techniques, electrochem. sensors and immunosensors. We have developed a naphthalimide-gold-based nanocomposite for the detection of okadaic acid. Individually, the organic nanoparticles (ONPs) of synthesized naphthalimide-based receptors and gold-coated ONPs are less sensitive for detection. However, fabrication of the composite of Au@ONPs and ONPs enhance the sensing properties and selectivity. The composite shows a ratiometric response in the UV-Vis absorption spectrum and quenching in the fluorescence profile with a detection limit of 20 nM for OA in aqueous medium. In cyclic voltammetry, a shift was observed in the cathodic peak (-0.532 V to -0.618 V) as well as in the anodic peak (-0.815 V to -0.847 V) with the addition of okadaic acid. To study the quick binding of the composite with OA, a time response experiment was performed. Also, the developed sensor retains its sensing ability in the pH range of 5-9 and in high salt conditions. Our developed composite can be used for the detection of OA in real applications.

Journal of Materials Chemistry B: Materials for Biology and Medicine published new progress about Bioassay. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem