Day: October 14, 2022

Prabakaran, G.; Manivarman, S.; Bharanidharan, M. published the artcile< Catalytic synthesis, ADMET, QSAR and molecular modeling studies of novel chalcone derivatives as highly potent antioxidant agents>, Category: pyridine-derivatives, the main research area is chalcone derivative antioxidant agent.

A series of (E)-3-(3-(5-chlorothiophen-2-yl)-1-(furan-2-carbonyl)-2,3-dihydro-1H-pyrazol-4-yl)-1-(substituted)prop-2-en-1-one derivatives 5a-c was synthesized from the reaction of 3-(5-chlorothiophen-2-yl)-1-(furan-2-carbonyl)-2,3-dihydro-1H-pyrazole-4-carbaldehyde (2) with various substituted acetophenes by the use of TiO2-ZnS in ethanol under reflux conditions. All are structurally supported by IR spectrum and the basic testing and screening, and find that compounds 5a are potential antioxidants for their in vitro-antioxidant activity against DPPH. The results in vitro were compared with the results of the mol. docking, ADMET, QSAR and bioactivity study and it was found that the results were observed in good correlations with in vitro anti-oxidant results in silicon binding affinities. The anal. of mol. dockings revealed the interactions between the synthesized ligands and protein tyrosine kinase (2HCK) amino acid residues and has a strong hydrogen connexion to this enzyme.

Materials Today: Proceedings published new progress about Antioxidants. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mateos-Moreno, M. V.; Mira, A.; Ausina-Marquez, V.; Ferrer, M. D. published the artcile< Oral antiseptics against coronavirus: in-vitro and clinical evidence>, Quality Control of 123-03-5, the main research area is review povidone iodine cetylpyridinium chloride antiseptic mouthwash COVID19 SARSCoV2; COVID-19; Coronaviruses; Oral antiseptics; Oral rinse; SARS-CoV-2.

A review. Angiotensin converting enzyme 2 (ACE2) is the cellular receptor for SARS-CoV-2, so ACE2-expressing cells can act as target cells and are susceptible to infection. ACE2 receptors are highly expressed in the oral cavity, so this may be a potential high-risk route for SARS-CoV-2 infection. Furthermore, the virus can be detected in saliva, even before COVID-19 symptoms appear, with the consequent high risk of virus transmission in asymptomatic/presymptomatic patients. Reducing oral viral load could lead to a lower risk of transmission via salivary droplets or aerosols and therefore contribute to the control of the pandemic. Our aim was to evaluate the available evidence testing the in-vitro and in-vivo effects of oral antiseptics to inactivate or eradicate coronaviruses. The criteria used were those described in the PRISMA declaration for performing systematic reviews. An electronic search was conducted in Medline (via PubMed) and in Web of Sciences, using the MeSH terms: ‘mouthwash’ OR’oral rinse’ OR ‘mouth rinse’ OR ‘povidone iodine’ OR ‘hydrogen peroxide’ OR ‘cetylpyridinium chloride’ AND ‘COVID-19’ OR ‘SARS-CoV-2’ OR ‘coronavirus’ OR ‘SARS’ OR ‘MERS’. The initial search strategy identified 619 articles on two electronic databases. Seventeen articles were included assessing the virucidal efficacy of oral antiseptics against coronaviruses. In conclusion, there is sufficient in-vitro evidence to support the use of antiseptics to potentially reduce the viral load of SARS-CoV-2 and other coronaviruses. However, in-vivo evidence for most oral antiseptics is limited. Randomized clin. trials with a control group are needed to demonstrate its clin. efficacy.

Journal of Hospital Infection published new progress about Aerosols. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Quality Control of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pal, Sunirmal; Sommerfeldt, Andreas; Davidsen, Maiken B.; Hinge, Mogens; Pedersen, Steen U.; Daasbjerg, Kim published the artcile< Synthesis and Closed-Loop Recycling of Self-Immolative Poly(dithiothreitol)>, Category: pyridine-derivatives, the main research area is recycling self immolative polydithiothreitol.

Self-immolative polymers (SIPs) are promising members of the emerging class of recyclable polymers with the ability to end-to-end depolymerize to their monomers. Unfortunately, SIPs are often synthesized by cumbersome procedures at low temperatures in protected atm. In this study, a SIP with a novel poly(disulfide) backbone is introduced, using DL-dithiothreitol (DTT) as the monomer. Remarkably, poly(DTT) can be produced by solid-state polymerization in a robust and easily scalable process by mech. mixing DTT with 2,2′-dithiodipyridine as the end-capping agent. The new polymer possesses good thermal and chem. stabilities, but once its depolymerization is triggered, this proceeds smoothly within minutes to afford cyclic DTT because of a favorable intramol. back-biting thiol-disulfide exchange reaction in the polymer backbone. As a proof of concept, the cyclic DTT waste was recovered, reduced to DTT monomer, and repolymd. in a closed-loop approach.

Macromolecules (Washington, DC, United States) published new progress about Chemical stability. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Jian-Yuan; Miklossy, Gabriella; Modukuri, Ram K.; Bohren, Kurt M.; Yu, Zhifeng; Palaniappan, Murugesan; Faver, John C.; Riehle, Kevin; Matzuk, Martin M.; Simmons, Nicholas published the artcile< Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis>, Reference of 3796-23-4, the main research area is palladium catalyzed hydroxycarbonylation heteroaryl halide DNA encoded library synthesis.

A strategy for DNA-compatible, palladium-catalyzed hydroxycarbonylation of (hetero)aryl halides on DNA-chem. conjugates has been developed. This method generally provided the corresponding carboxylic acids in moderate to very good conversions for (hetero)aryl iodides and bromides, and in poor to moderate conversions for (hetero)aryl chlorides. These conditions were further validated by application within a DNA-encoded chem. library synthesis and subsequent discovery of enriched features from the library in selection experiments against two protein targets.

Bioconjugate Chemistry published new progress about Carbonylation. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Reference of 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sharma, Pranay; Gogoi, Anshuman; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K. published the artcile< Charge-assisted hydrogen bond and nitrile···nitrile interaction directed supramolecular associations in Cu(II) and Mn(II) coordination complexes: anticancer, hematotoxicity and theoretical studies>, COA of Formula: C10H8N2, the main research area is crystal structure copper bipyridine manganese cyanopyridine aqua compound; copper bipyridine manganese cyanopyridine preparation anticancer hematotoxicity activity.

Two new coordination complexes of Cu(II) and Mn(II), viz., [Cu(bpy)(H2O)4]SO4·2H2O (1) and [Mn(4-CNpy)2(H2O)3SO4]·H2O (2) (bpy = 2,2′-bipyridine, 4-CNpy = 4-cyanopyridine), were synthesized and characterized by using single crystal x-ray diffraction, elemental anal., FTIR spectroscopy, electronic spectroscopic techniques and TGA. The crystal structure of 1 uncovers the formation of sulfate-H2O assemblies involving lattice and coordinated H2O mols., while 2 reveals unconventional weak T-shaped CN···CN contacts in the layered architecture. The authors analyzed the unconventional interesting interactions using DFT calculations, mol. electrostatic potential (MEP), the NCI plot and QTAIM computational tools. The interaction energies of the two H-bonded dimers in 1 are very large because of the coulombic attraction between the dicationic H-bonded donor and the dianionic acceptor. It is interesting to observe that despite the energy of the H-bonds being very small compared to the total dimerization energy, the final geometry of the assembly in 1 is due to the charge assisted directional H-bonds instead of the nondirectional ion-pair interactions. The DFT study reveals that the T-shaped CN···CN interaction in 2 is very weak, in good agreement with the small MEP energy at the nitrile C atom. Anticancer studies of the compounds were carried out using Dalton’s lymphoma cell line using MTT and apoptosis assay. The results of compound 1 and 2 mediated cell cytotoxicity on the DL cancer cell line showed a significant concentration-dependent reduction in cell viability, while negligible cytotoxicity was observed in normal (PBMC) cells. The docking simulation results also confirm the interaction of the complexes with the active sites of amino acids of the target proteins. Also, pharmacophore models (2-dimensional and 3-D) for the compounds were mapped to the H-bond donor, pos. ionizable area and hydrophobic features that are important for establishing biol. activities. No hematotoxicity was recorded for the compounds after treatment in normal mice.

New Journal of Chemistry published new progress about Antitumor agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, COA of Formula: C10H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhou, Sen; Sun, Ze-Ying; Zhu, Kongying; Zhao, Wentao; Tang, Xiangyang; Guo, Minjie; Wang, Guangwei published the artcile< Metal-Free Difunctionalization of Pyridines: Selective Construction of N-CF2H and N-CHO Dihydropyridines>, COA of Formula: C7H7NO2, the main research area is pyridine nitroalkane bromodifluoroacetate regioselective nucleophilic addition; nitroalkyl difluoromethyl dihydropyridine preparation; nitromethylene difluoromethyl dihydropyridine preparation; formyl difluoromethyl dihydropyridine preparation.

A novel nucleophilic addition of N-difluoromethylpyridinium salts with nitroalkanes to synthesize N-CF2H-dihydropyridines and N-CHO-dihydropyridines in a highly efficient and regioselective pathway was reported. This protocol exhibited good functional group tolerance and good to excellent yields.

Organic Letters published new progress about Alkanes, nitro Role: RCT (Reactant), RACT (Reactant or Reagent). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Puszko, Aniela published the artcile< Synthesis of 2-halo(chloro,bromo)-4-nitropicoline>, HPLC of Formula: 79055-59-7, the main research area is persulfuric acid oxidation pyridinamine; pyridine halo nitro methyl; bromopyridine nitro methyl; chloropyridine nitro methyl.

Oxidation of the corresponding amines gave the six title isomers I , II and III (X = Cl, Br).

Prace Naukowe Akademii Ekonomicznej imienia Oskara Langego we Wroclawiu published new progress about Oxidation. 79055-59-7 belongs to class pyridine-derivatives, and the molecular formula is C6H7BrN2, HPLC of Formula: 79055-59-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cui, Yahan; Deng, Rong; Li, Xiangshuai; Wang, Xinghuo; Jia, Qiong; Bertrand, Emilie; Meguellati, Kamel; Yang, Ying-Wei published the artcile< Temperature-sensitive polypeptide brushes-coated mesoporous silica nanoparticles for dual-responsive drug release>, Application of C10H8N2S2, the main research area is temperature polypeptide mesoporous silica nanoparticle.

A biopolymer-inorganic hybrid system (MSN@PBLGF) is designed and fabricated from mesoporous silica nanoparticles (MSNs) and folic acid (FA)-terminated temperature-sensitive synthetic polypeptide, i.e., poly(γ-benzyl-L-glutamate) (PBLG) derivative, through a thiol-disulfide exchange reaction, where MSNs with high drug loading capacity serve as drug nanocarriers and the biocompatible PBLG biopolymer brushes installed on MSN surface through disulfide bonds endow the system with tumor-specific recognition ability and GSH/temperature dual-stimuli responsiveness. Controlled drug release experiments indicate that DOX can be tightly hosted in the system with limited premature release, but efficiently released in response to an increased concentration of GSH and/or an elevated temperature Intracellular experiments demonstrate that the DOX-loaded MSN@PBLGF nanohybrid shows outstanding cellular uptake and cell-growth inhibition effects on human lung cancer cell line A549 in comparison with healthy human cells such as hepatocyte cells LO2.

Chinese Chemical Letters published new progress about Antitumor agents. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Application of C10H8N2S2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Miranda, Margarida S.; Matos, Maria Agostinha R.; Morais, Victor M. F. published the artcile< Structure and energetics correlations in some chlorohydroxypyridines>, COA of Formula: C5H4ClNO, the main research area is chlorohydroxypyridine structure energetics correlation.

We have performed a study of the structure and energetics of some chlorohydroxypyridines based on exptl. calorimetry techniques and high level ab initio computational calculations The standard (p° = 0.1 MPa) molar enthalpies of formation of 2-chloro-3-hydroxypyridine (2-Cl-3-OHPy), 2-chloro-6-hydroxypyridine (2-Cl-6-OHPy) and 3-chloro-5-hydroxypyridine (3-Cl-5-OHPy) in the crystalline phase, at T = 298.15 K, were derived from the resp. standard massic energies of combustion measured by rotating-bomb combustion calorimetry, in oxygen, at T = 298.15 K. The standard molar enthalpies of sublimation, at T = 298.15 K, were measured by Calvet microcalorimetry. From these exptl. determined enthalpic parameters we have derived the standard molar enthalpies of formation of the three compounds in the gaseous phase, at T = 298.15 K: 2-Cl-3-OHPy, -(76.8 ± 2.0) kJ · mol-1; 2-Cl-6-OHPy, -(105.0 ± 1.7) kJ · mol-1, 3-Cl-5-OHPy -(61.2 ± 2.4) kJ · mol-1. These values were compared with estimates obtained from very accurate computational calculations using the G3(MP2)//B3LYP composite method and appropriately chosen reactions. These calculations have also been extended to the remaining chlorohydroxypyridine isomers that were not studied exptl. Based on B3LYP/6-31G* optimized geometries and calculated G3(MP2)//B3LYP absolute enthalpies some structure-energy correlations were discussed.

Journal of Chemical Thermodynamics published new progress about Formation enthalpy (molar). 96630-88-5 belongs to class pyridine-derivatives, and the molecular formula is C5H4ClNO, COA of Formula: C5H4ClNO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ali, Hazim M. published the artcile< Simultaneous Determination of Methyl Nicotinate and Three Salicylic Acid Derivatives in Pain Relief Spray Using HPLC-DAD>, COA of Formula: C7H7NO2, the main research area is methyl nicotinate salicylic acid derivative pain relief spray HPLCDAD.

For the first time, the high-performance liquid chromatog.-diode array detector (HPLC-DAD) approach was operated for the simultaneous assessment of Me nicotinate (MN), Me salicylate (MS), Et salicylate (ES) and 2-hydroxyethyl salicylate (HES) in one pharmaceutical formulation. The limits of detection of MN, HES, MS and ES were found to be 0.0144, 0.0455, 0.0087 and 0.0061μg/mL. The recovery percentages and relative standard deviations ranged from 93.48 to 102.12% and 0.301 to 6.341% for all active ingredients. Accordingly, the previously described data demonstrate the sensitivity, accuracy and precision of the developed method. Therefore, the investigated approach was effectively applied for the simultaneous assessment of MN, HES, MS and ES in DEEP HEAT Spray.

Separations published new progress about Analgesics. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem