Month: October 2022

Pegu, David published the artcile< Analysis of molecular structure, vibrational spectra and electronic properties of 2-amino-3-nitro-6-picoline by density functional methods>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is amino nitropicoline mol structure vibrational spectrum electronic property.

In the present study the geometrical parameters and vibrational spectroscopic properties of the compound 2-amino-3-nitro-6-picoline (2A3N6P) have been calculated by using Harteree-Fock and D. functional method (B3LYP) with 6-311++G(d,p) basis set. The calculated optimized structural parameters and the scaled frequencies are investigated and compared with earlier reported data. The complete vibrational assignment and anal. of the fundamental modes of the mol. were carried out. In addition, mol. electrostatic potential and total electron d. has been analyzed to investigate size, shape, charge d. distribution and site on chem. reactivity of the mol. Finally the Mullikan at. charges of the compound have been studied.

Pharma Chemica published new progress about Atomic charge. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ehrhardt, Alexandre; Mandelli, Jessica Zolim Andreatto; Bergamo, Vanessa; Lopes, William; Donato, Ricardo Keitel; Zanette, Regis A.; Fuentefria, Alexandre Meneghello published the artcile< Glass ionomer cement modified by a imidazolium salt: adding antifungal properties to a biomaterial>, Reference of 123-03-5, the main research area is glass ionomer cement imidazolium antifungal property; Antibiofilm activity; Candida spp; Dental material.

We present the structural modification of a com. available glass ionomer cement by inserting the imidazolium salt 1-n-hexadecyl-3-methylimidazolium chloride (C16MImCl), composing a new biomaterial with antifungal biofilm activity. Test specimens were prepared using a com. glass ionomer cement to which 10 ppm of cetylpyridinium chloride (reference ionic antifungal agent) or C16MImCl were added. The feasibility and hypoallergenicity of the new biomaterial were assessed by microhardness plastic deformation and chorioallantoic membrane assays. Colony counting and SEM were used to evaluate the modified specimens’ antibiofilm activity against three multidrug-resistant Candida species. The modified glass ionomer cement presented a strong antibiofilm activity against Candida spp., without losing its original micromech. and hypoallergenic properties, rendering it a promising candidate for further application in dentistry.

Brazilian Journal of Microbiology published new progress about Antibiofilm agents. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Reference of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ganguli, Kasturi; Shee, Sujan; Panja, Dibyajyoti; Kundu, Sabuj published the artcile< Cooperative Mn(I)-complex catalyzed transfer hydrogenation of ketones and imines>, Application In Synthesis of 350-03-8, the main research area is alc preparation chemoselective; ketone transfer hydrogenation manganese catalyst; aryl aldehyde transfer hydrogenation manganese catalyst; imine transfer hydrogenation manganese catalyst.

The synthesis and reactivity of Mn(I) complexes bearing bifunctional ligands comprising both the amine N-H and benzimidazole fragments I and II (R = H, Me; R1 = H, Me, phenyl; R2 = H, Me) are reported. Among the various ligands, the N-((1H-benzimidazol-2-yl)methyl)aniline ligand containing Mn(I) complex II (R = R2 = H; R1 = Ph) presented higher reactivity in the transfer hydrogenation (TH) of ketones R3C(O)R4 (R3 = Ph, thiophen-2-yl, cyclopropyl, etc.; R4 = Me, propan-2-yl, tert-Bu, etc.; R3R4 = 9H-fluoren-9-yl, 1,2,3,4-tetrahydronaphthalen-1-yl, cyclohexyl) in 2-propanol. Exptl., it was established that both the benzimidazole and amine N-H proton played a vital role in the enhancement of the catalytic activity. Utilizing this system, a wide range of ketones R3C(O)R4 and aldehydes R5CHO (R5 = 4-CH3C6H4, thiophen-2-yl, pentyl, etc.) was reduced efficiently. Notably, the TH of several imines R6R7C=NR8 (R6 = 4-OCH3C6H4, thiophen-2-yl, naphthalen-2-yl, etc.; R7 = H, Me, Et; R8 = C6H5, 4-OCH3C6H4, CH3(CH2)3, etc.), as well as chemoselective reduction of unsaturated ketones, was achieved in the presence of this catalyst. DFT calculations were carried out to understand the plausible reaction mechanism which disclosed that the transfer hydrogenation reaction followed a concerted outer-sphere mechanism.

Dalton Transactions 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

Holder, Samuel W.; Grant, Samuel C.; Mohammadigoushki, Hadi published the artcile< Nuclear Magnetic Resonance Diffusometry of Linear and Branched Wormlike Micelles>, SDS of cas: 123-03-5, the main research area is NMR diffusometry linear branched wormlike micelle.

Diffusion studies using NMR spectroscopy were conducted on two model surfactant solutions of cetyltrimethylammonium bromide/sodium salicylate (CTAB/NaSal) and cetylpyridinium chloride/sodium salicylate (CPCl/NaSal). By increasing the salt-to-surfactant concentration ratio, these systems display two peaks in the zero-shear viscosity and relaxation time, which are indicative of transitions from linear to branched micellar networks. The goal of this work is to assess the sensitivity of NMR diffusometry to different types of micellar microstructures and identify the mechanism(s) of surfactant self-diffusion in micellar solutions At low salt-to-surfactant concentration ratios, for which wormlike micelles are linear, the surfactant self-diffusion is best described by a mean squared displacement, Z2, that varies as Z2 ∝ Tdiff0.5, where Tdiff is the diffusion time. As the salt concentration increases to establish branched micelles, Z2 ∝ Tdiff, indicating a Brownian-like self-diffusion of surfactant mols. in branched micelles. This result indicates that NMR diffusometry is capable of differentiating various types of micellar microstructures. In addition, the self-diffusion coefficient of the surfactant mols. in linear and branched micelles are determined, for the first time, by comparing the existing restricted diffusion models and are shown to be much slower than the diffusion of proton mols. in the bulk. Moreover, in linear and moderately branched wormlike micelles, the dominant mechanism of surfactant self-diffusion is through the curvilinear diffusion of the surfactant mols. along the contour length of the micelles, whereas in the branched micelles, before the second viscosity maxima, the surfactant self-diffusion could arise from a combination of micellar breakage, exchange between micelles and/or the bulk.

Langmuir published new progress about Diffusion. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, SDS of cas: 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Karges, Johannes; Jakubaszek, Marta; Mari, Cristina; Zarschler, Kristof; Goud, Bruno; Stephan, Holger; Gasser, Gilles published the artcile< Synthesis and Characterization of an Epidermal Growth Factor Receptor-Selective RuII Polypyridyl-Nanobody Conjugate as a Photosensitizer for Photodynamic Therapy>, Synthetic Route of 366-18-7, the main research area is EGFR RuII polypyridyl nanobody conjugate photosensitizer photodynamic therapy; bioinorganic chemistry; medicinal inorganic chemistry; metal-based drugs; metals in medicine; photodynamic therapy.

There is a current surge of interest in the development of novel photosensitizers (PSs) for photodynamic therapy (PDT), as those currently approved are not completely ideal. Among the tested compounds, we have previously investigated the use of RuII polypyridyl complexes with a [Ru(bipy)2(dppz)]2+ and [Ru(phen)2(dppz)]2+ scaffold (bipy=2,2′-bipyridine; dppz=dipyrido[3,2-a:2′,3′-c]phenazine; phen=1,10-phenanthroline). These complexes selectively target DNA. However, because DNA is ubiquitous, it would be of great interest to increase the selectivity of our PDT PSs by linking them to a targeting vector in view of targeted PDT. Herein, we present the synthesis, characterization, and in-depth photophys. evaluation of a nanobody-containing RuII polypyridyl conjugate selective for the epidermal growth factor receptor (EGFR) in view of targeted PDT. Using ICP-MS and confocal microscopy, we could demonstrate that our conjugate has high selectivity for the EGFR receptor, which is a crucial oncol. target because it is overexpressed and/or deregulated in a variety of solid tumors. However, in contrast to expectations, this conjugate was found to not produce reactive oxygen species (ROS) in cancer cells and is therefore not phototoxic.

ChemBioChem published new progress about Cytotoxicity. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Synthetic Route of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Fanfoni, Lidia; Marsich, Eleonora; Turco, Gianluca; Breschi, Lorenzo; Cadenaro, Milena published the artcile< Development of di-methacrylate quaternary ammonium monomers with antibacterial activity>, Application of C6H8N2, the main research area is dimethacrylate quaternary ammonium monomer antibacterial activity; Antibacterial monomer; Cytotoxicity; MIC/MBC; Structure-activity relationship; bis-quaternary ammonium salt; di-methacrylate monomer.

Nine antibacterial di-methacrylate monomers based on bis-quaternary ammonium salts (bis-QAMs) were synthesized and structurally characterized. The biol. activity of the bis-QAMs was tested in terms of min. inhibitory concentration (MIC) and min. bactericidal concentration (MBC) on different bacterial strains achieving promising results and, in most cases, a complete bactericidal effect using a bis-QAM concentration lower than 1 mg/mL. Two of the structures showed comparable and superior activity against S. mutans than the com. monomer 12-methacryloyloxydodecyl pyridinium bromide (MDBP). All the bis-QAMs here described were able to inhibit S. mutans biofilm formation at a concentration equal to the MIC value. From the anal. of the obtained data, some correlation regarding the structure and the antibacterial activity of the bis-QAMs could be drawn: a flexible alkyl C12 spacer between the two quaternary ammonium moieties increased the monomer antibacterial effect in comparison to the aromatic ones; the equilibrium between hydrophobic and hydrophilic moieties was directly correlated to the bactericidal range of action; the increase of the steric hindrance of the ammonium side groups might be both advantageous or disadvantageous to the antibacterial efficacy depending on the whole monomer chem. structure. Even though the possible correlation between the monomer structures and their bacteriostatic or bactericidal effect is under investigation, the monomers exhibited low cytotoxicity on human dental pulp stem cells, confirming their promising potential in the dental materials′ field.

Acta Biomaterialia published new progress about Antibacterial agents. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Subi, S.; Rose, S. Viola; Reji, T. F. Abbs Fen published the artcile< Synthesis, characterization, DFT study, molecular modelling and biological evaluation of novel 5-aryl-3-(pyridine-3-yl)isoxazole hybrids as potent anticancer agents with inhibitory effect on skin cancer>, Synthetic Route of 350-03-8, the main research area is pyridineyl isoxazole preparation antioxidant antitumor DFT human mol docking.

A novel series of pyridinyl isoxazole derivatives I [Ar = Ph, 4-ClC6H4, 4-MeC6H4, 4-MeOC6H4, PhCH=CH] was synthesized obtained from 5-aryl-3-(pyridine-3-yl)-2-propen-1-ones and hydroxylamine hydrochloride. Geometrical and electronic properties of pyridinyl isoxazole derivative were investigated by using B3LYP/6-31G (d.p) basis sets. The HOMO and LUMO anal. was used to determine the charge transfer within the mol. The pyridinyl isoxazole derivatives I exhibited good docking scores against liver cancer 4MMH. The results revealed clearly compound I [Ar = 4-ClC6H4] exhibited better radical scavenging ability. Among the synthesized pyridinyl isoxazole derivatives, compound I [Ar = 4-ClC6H4] was highly active on the SKMEL cell line (human skin cancer).

Asian Journal of Chemistry published new progress about Antioxidants. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Synthetic Route of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mochizuki, Yuki; Imai, Hiroaki; Oaki, Yuya published the artcile< A Layered Polydiacetylene Containing Hydrogen-Bonding 4,4'-Bipyridyl Guests: Reversible Color Changes with a Wide-Range Temperature Response>, Application of C10H8N2, the main research area is polydiacetylene bipyridyl host guest intercalation hydrogen bonding; host-guest systems; hydrogen bonding; layered compounds; polydiacetylenes; thermoresponsive materials.

Layered organic polymers have intercalation capabilities and dynamic properties. In classical intercalation chem., the interlayer guests are intercalated in the host layers via electrostatic interaction. The present work shows the organic layered materials with the host-guest interlayer interaction via hydrogen bond. Polydiacetylene (PDA) exhibits color changes from blue to red with the application of external stimuli, such as thermal and mech. stresses. Here we report on a layered PDA containing 4,4′-bipyridyl in the interlayer space as a hydrogen-bonding guest. Whereas the layered PDA without interlayer guest shows the color transition at 65°C, gradual color changes with two-stage reversibility are observed in the temperature range of -20-240°C by the introduction of the hydrogen-bonding guest. The weaker interlayer interaction via the hydrogen bond promotes the dynamic motion directing the thermoresponsive color changes in a wide temperature range.

ChemPlusChem published new progress about Color. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Application of C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Xie, Demeng; Wang, Yingwei; Zhang, Xia; Fu, Zhengyan; Niu, Dawen published the artcile< Alkyl/Glycosyl Sulfoxides as Radical Precursors and Their Use in the Synthesis of Pyridine Derivatives>, SDS of cas: 350-03-8, the main research area is pyridine alkyl regioselective preparation; alkyl glycosyl sulfoxide regioselective stereoselective photochem alkylation methoxypyridinium; Alkyl Sulfoxides; C-Glycosides; Electron Donor-Acceptor Complexes; Photochemistry; Radicals.

Here the use of simple and readily available alkyl sulfoxides as precursors to radicals and their application in the preparation of pyridine derivatives are reported. It was shown that alkyl sulfoxides, N-methoxy pyridinium salts and fluoride anions form electron donor-acceptor (EDA) complexes in solution, which, upon visible light irradiation, undergo a radical chain process to afford various pyridine derivatives smoothly. This reaction displays broad scope with respect to both sulfoxides and N-methoxy pyridinium salts. The synthetic versatility of sulfoxides as a handle in chem. adds to their power as radical precursors. Glycosyl sulfoxides are converted to the corresponding pyridyl C-glycosides with high stereoselectivities. Computational and exptl. studies provide insights into the reaction mechanism.

Angewandte Chemie, International Edition published new progress about Alkylation, regioselective. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, SDS of cas: 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem