Day: October 14, 2022

Lemmens, Vincent; Vos, Christophe; Bugaev, Aram L.; Vercammen, Jannick; Van Velthoven, Niels; Gascon, Jorge; De Vos, Dirk E. published the artcile< Ru-Bipyridine Entrapped in the Supercages of EMC-1 Faujasite as Catalyst for the Trifluoromethylation of Arenes>, Reference of 3796-23-4, the main research area is hetero arene trifluoromethylation ruthenium bipyridine supercage faujasite catalyst photochem; Ru(bipy)32+; faujasite; heterogeneous catalysis; photocatalysis; trifluoromethylation.

Trifluoromethyl (CF3) groups are versatile structural motifs especially in the field of agrochems. and pharmaceuticals. However, current trifluoromethylation reactions are generally associated with stoichiometric amounts of transition metals/metal oxidants, homogeneous catalysts, high temperatures, and expensive trifluoromethylating agents. In this work, the homogeneous photocatalyst Ru(bipy)32+ is entrapped in the pores of a faujasite support (EMC-1) via a “”ship-in-a-bottle”” strategy. The formation of the coordination compound was confirmed by Fourier transform IR (FTIR), UV-Vis spectroscopy, and X-ray absorption spectroscopy (XAS). Due to its high stability toward acidified environments, this single-site heterogeneous catalyst is suitable for the trifluoromethylation of synthetically interesting (hetero)arenes under visible-light irradiation at room temperature Furthermore, the heterogeneous catalyst could efficiently be reused for at least three times with minimal catalyst leaching/deactivation.

ACS Applied Materials & Interfaces published new progress about Aromatic hydrocarbons Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 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

Ma, Jing; Yang, Hai-Lian; Ren, Wei-Hua published the artcile< Functionalized reduced graphene oxide loaded aligned carbon nanotube layer used as counter electrode for dye-sensitized solar cells>, Quality Control of 123-03-5, the main research area is reduced graphene oxide carbon nanotube layer counter electrode DSSC.

A novel bilayer counter electrodes for Dye-sensitized Solar Cells (DSSCs) made of reduced graphene oxide (RGO) and aligned carbon nanotube (ACNT) was developed. The underlayer ACNT severs as a transition layer for RGO. The overlayer of RGO plays the role of catalytic layer. It was demonstrated that the property of graphene counter electrode was adversely affected by aggregation, by adding surfactant, the aggregation of graphene can be inhabited effectively. Moreover, the interface between the RGO and the ACNT can be optimized by surfactant functionalization of RGO. After screening, a cationic surfactant cetylpyridinium chloride (CPC) functionalized RGO, code as CPC-RGO, exhibits the best performance. Compare to the ACNT based counter electrode and other surfactant functionalized RGO/ACNT based bilayer counter electrodes, the CPC-RGO/ACNT reduced interface resistance and improved the double chem. capacitance efficiently, thus uplifting the short circuit c.d. and fill factor from 7.35 to 8.8 mA cm-2, and 59.87 to 62.79, resp. Eventually, the CPC-RGO/ACNT based DSSC giving a power conversion efficiency of 3.9%, which is 1.24-fold than that of ANCT based DSSC, because of the best splay degree of CPC/RGO.

Journal of Nanoscience and Nanotechnology published new progress about Current density. 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

Nitelet, Antoine; Thevenet, Damien; Schiavi, Bruno; Hardouin, Christophe; Fournier, Jean; Tamion, Rodolphe; Pannecoucke, Xavier; Jubault, Philippe; Poisson, Thomas published the artcile< Copper-Photocatalyzed Borylation of Organic Halides under Batch and Continuous-Flow Conditions>, Formula: C11H16BNO2, the main research area is copper photocatalyzed borylation aryl heteroaryl vinyl alkyl halide; aryl vinyl alkyl boronic acid ester preparation electrochem; borylation; continuous flow; copper; photocatalysis; visible light.

The Cu-photocatalyzed borylation of aryl, heteroaryl, vinyl and alkyl halides (I and Br) is reported. The reaction proceeded using a new heteroleptic Cu complex under irradiation with blue LEDs, giving the corresponding boronic-acid esters in good to excellent yields. The reaction was extended to continuous-flow conditions to allow an easy scale-up. The mechanism of the reaction was studied and a mechanism based on a reductive quenching (Cu(I)/Cu(I)*/Cu(0)) was suggested.

Chemistry – A European Journal published new progress about Boronic acids, esters Role: SPN (Synthetic Preparation), PREP (Preparation). 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Formula: C11H16BNO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Bhattacharya, Ritwick; Chatterjee, Arnab; Chatterjee, Soumendranath; Saha, Nimai Chandra published the artcile< Commonly used surfactants sodium dodecyl sulphate, cetylpyridinium chloride and sodium laureth sulphate and their effects on antioxidant defence system and oxidative stress indices in Cyprinus carpio L.: an integrated in silico and in vivo approach>, Application of C21H38ClN, the main research area is surfactant sodium dodecyl sulfate cetylpyridinium chloride antioxidant defense system; Cyprinus carpio; Cytochrome P450; Homology modelling; Molecular docking; Oxidative stress.

The present study evaluated the homol. modeling, in silico prediction and characterization of Cyprinus carpio cytochrome P 450, as well as mol. docking experiments between the modelled protein and the surfactants sodium dodecyl sulfate (SDS), sodium laureth sulfate (SLES) and cetylpyridinium chloride (CPC). Homol. modeling of cytochrome P 450 was performed using the best fit template structure. The structure was optimized with 3D refine, and the ultimate 3D structure was checked with PROCHEK and ERRATA. ExPASy’s ProtParam was likewise used to analyze the modelled protein’s physiochem. and stereochem. attributes. To establish the binding pattern of each ligand to the targeted protein and its effect on the overall protein conformation, mol. docking calculations and protein-ligand interactions were performed. Our in silico anal. revealed that hydrophobic interactions with the active site amino acid residues of cytochrome P 450 were more prevalent than hydrogen bonds and salt bridges. The in vivo anal. exhibited that exposure of fish to sublethal concentrations (10% and 30% of 96 h LC50) of SDS (0.34 and 1.02 mg/l), CPC (0.002 and 0.006 mg/l) and SLES (0.69 and 2.07 mg/l) at 15d, 30d and 45d adversely affected the oxidative stress and antioxidant enzymes (CAT, SOD, GST, GPx and MDA) in the liver of Cyprinus carpio. As a result, the study suggests that elicited oxidative stress, prompted by the induction of antioxidant enzymes activity, could be attributable to the stable binding of cytochrome P 450 with SDS, CPC and SLES which ultimately leads to the evolution of antioxidant enzymes for its neutralization.

Environmental Science and Pollution Research published new progress about Antioxidant enzymes Role: CAT (Catalyst Use), USES (Uses). 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Application of C21H38ClN.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Khatouri, M.; Ahfir, R.; Lemaalam, M.; El Khaoui, S.; Derouiche, A.; Filali, M. published the artcile< Effect of hydrophobically modified PEO polymers (PEO-dodecyl) on oil/water microemulsion properties: in vitro and in silico investigations>, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride, the main research area is hydrophobically modified PEO polymer oil water microemulsion property.

Microemulsions are excellent systems for transdermal delivery of multifunctional drugs because they have the potential to improve drug absorption/permeation and handling limitations. Biocompatible polymers are used as a coating of microemulsions to avoid the interactions that can occur between the microemulsions and the skin. Thus, they protect and lubricate these transporter nanovesicles. In this paper, we studied decane/water microemulsions covered with hydrophobically modified PEO polymer (PEO-m). To reveal the effect of hydrophobically modified PEO (PEO-m) polymer on the shape, the micro-arrangement and the dynamics of the microemulsions, we used an integrated strategy combining Mol. Dynamics simulation (MD), Small-Angle Neutron Scattering experiments (SANS), and the Ornstein-Zernike integral equations with the Hypernetted Chain (HNC) closure relation. We determined the microemulsion shape in vitro using the renormalized intensities spectra from SANS experiments We discussed the micro arrangements of microemulsions, in vitro and in silico, employing the pair correlation function g(r) and the structure factor S(q), obtained from the three approaches with good agreement. Thus, we used the validated MD simulations to calculate the microemulsion’s dynamics properties that we discussed using the mean-squared displacement (MSD) and the diffusion coefficients We found that the presence of moderate quantities of PEO-m, from 4 to 12 PEO-m per microemulsion, does not influence the microemulsion shape, increases the stability of the microemulsion, and slightly decrease the dynamics. Our in vitro and in silico results suggest that polymer incorporation, which has interesting in vivo implications, has no disadvantageous effects on the microemulsion properties.

RSC Advances published new progress about Absorption. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Recommanded Product: 1-Hexadecylpyridin-1-ium chloride.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Aversa-Fleener, Cara R.; Chang, Daniel K.; Liberman-Martin, Allegra L. published the artcile< Carbodiphosphorane-Catalyzed Hydroboration of Ketones and Imines>, Quality Control of 350-03-8, the main research area is carbodiphosphorane catalyzed hydroboration ketone imine aldehyde; pinacol boronate ester preparation.

The authors report the use of a cyclic carbodiphosphorane catalyst for ketone and imine hydroboration reactions. Ketone hydroboration reactions are particularly rapid, typically reaching completion within 15 min using a 1 mol % catalyst loading at 25°. To the authors’ knowledge, this represents the 1st use of a carbodiphosphorane as an organocatalyst. The carbodiphosphorane exhibited superior catalytic activity in comparison to other neutral C nucleophiles tested, including an N-heterocyclic carbene, an N-heterocyclic olefin, and P ylides.

Organometallics published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Quality Control of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Nakajima, Yutaka; Tojo, Takashi; Morita, Masataka; Hatanaka, Keiko; Shirakami, Shohei; Tanaka, Akira; Sasaki, Hiroshi; Nakai, Kazuo; Mukoyoshi, Koichiro; Hamaguchi, Hisao; Takahashi, Fumie; Moritomo, Ayako; Higashi, Yasuyuki; Inoue, Takayuki published the artcile< Synthesis and evaluation of 1H-pyrrolo[2,3-b]pyridine derivatives as novel immunomodulators targeting Janus kinase 3>, COA of Formula: C8H5ClN2O2, the main research area is pyrrolopyridine preparation Janus kinase inhibitor lipophilicity mol docking pharmacokinetics.

A series of 1H-pyrrolo[2,3-b]pyridine derivatives I [R = H, Me, c-Hex, Ph; R1 = NHCH(CH2CH3)2, piperidin-1-yl, ((1S,2R)-2-methylcyclohexyl)aminyl, cyclohexylaminyl, etc.] as novel immunomodulators targeting JAK3 for use in treating immune diseases such as organ transplantation has been described. In the chem. modification of N-cyclohexyl-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine, the introduction of a carbamoyl group to the C5-position and substitution of a cyclohexylamino group at the C4-position of the 1H-pyrrolo[2,3-b]pyridine ring led to a large increase in JAK3 inhibitory activity. Compound I [R = H, R1 = ((1S,2R)-2-methylcyclohexyl)aminyl] was identified as a potent, moderately selective JAK3 inhibitor, and the immunomodulating effect of I [R = H, R1 = ((1S,2R)-2-methylcyclohexyl)aminyl] on interleukin-2-stimulated T cell proliferation was shown. Docking calculations and WaterMap anal. of the 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives I were conducted to confirm the substituent effects on JAK3 inhibitory activity.

Chemical & Pharmaceutical Bulletin published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 920966-03-6 belongs to class pyridine-derivatives, and the molecular formula is C8H5ClN2O2, COA of Formula: C8H5ClN2O2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Wang, Zhaobin; Yang, Ze-Peng; Fu, Gregory C. published the artcile< Quaternary stereocentres via catalytic enantioconvergent nucleophilic substitution reactions of tertiary alkyl halides>, Category: pyridine-derivatives, the main research area is nickel catalytic enantioconvergent nucleophilic substitution tertiary alkyl electrophiles alkenylzirconium.

The development of efficient methods, particularly catalytic and enantioselective processes, for the construction of all-carbon quaternary stereocentres is an important (and difficult) challenge in organic synthesis due to the occurrence of this motif in a range of bioactive mols. One conceptually straightforward and potentially versatile approach is the catalytic enantioconvergent substitution reaction of a readily available racemic tertiary alkyl electrophile by an organometallic nucleophile; however, examples of such processes are rare. Here we demonstrate that a nickel-based chiral catalyst achieves enantioconvergent couplings of a variety of tertiary electrophiles (cyclic and acyclic α-halocarbonyl compounds) with alkenylmetal nucleophiles to form quaternary stereocentres with good yield and enantioselectivity under mild conditions in the presence of a range of functional groups. These couplings, which probably proceed via a radical pathway, provide access to an array of useful families of organic compounds, including intermediates in the total synthesis of two natural products, (-)-eburnamonine and madindoline A.

Nature Chemistry published new progress about Alkenylation catalysts, stereoselective. 1428537-19-2 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Category: pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Padilla-Salinas, Rosaura; Anderson, Rachel; Sakaniwa, Kentaro; Zhang, Shuting; Nordeen, Patrick; Lu, Chuanjun; Shimizu, Toshiyuki; Yin, Hang published the artcile< Discovery of Novel Small Molecule Dual Inhibitors Targeting Toll-Like Receptors 7 and 8>, Reference of 3796-23-4, the main research area is oxadiazole derivative preparation dual inhibitor TLR7 TLR8.

Endosomal toll-like receptors (TLRs) 7 and 8 recognize viral single-stranded RNAs, a class of imidazoquinoline compounds, 8-oxo-adenosines, 8-aminobenzodiazepines, pyrimidines, and guanosine analogs. Substantial evidence is present linking chronic inflammation mediated specifically by TLR7 to the progression of autoimmunity. We identified a new TLR7/8 dual inhibitor (1) and a TLR8-specific inhibitor (2) based on our previous screen targeting TLR8. Compound 1, bearing a benzanilide scaffold, was found to inhibit TLR7 and TLR8 at low micromolar concentrations We envisioned making modifications on the benzanilide scaffold of 1 resulting in a class of highly specific TLR7 inhibitors. Our efforts led to the discovery of a new TLR8 inhibitor (CU-115) and identification of a TLR7/8 dual inhibitor (CU-72), bearing a distinct di-Ph ether skeleton, with potential for TLR7 selectivity optimization. Given the role of TLR8 in autoimmunity, we also optimized the potency of 2 and developed a new TLR8 inhibitor bearing a 1,3,4-oxadiazole motif.

Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 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

Qiu, Xuchun; Tengbe, Michaela Sia; Xia, Xingyi; Dong, Kejun; Chen, Chen; Shi, Yanhong; Li, Ming; Xu, Hai; Wu, Xiangyang; Chen, Kun published the artcile< Impacts of Cetylpyridinium Chloride on the Survival, Development, Behavior, and Oxidative Stress of Early-Life-Stage Zebrafish (Danio rerio)>, COA of Formula: C21H38ClN, the main research area is cetylpyridinium chloride superoxide dismutase aquatic ecosystem oxidative stress; behavioral responses; cetylpyridinium chloride; development; early life stages; oxidative stress; zebrafish.

Cetylpyridinium chloride (CPC) is a widely used surfactant that has been detected in various water ecosystems. However, knowledge on the toxicity of CPC to fish remains scarce. Here, we examined the survival, development, behavior, and oxidative stress in the early life stages of zebrafish exposed to CPC (0, 4, 40, 400, and 1200 μg/L) until 120 h post-fertilization (hpf). Results showed that CPC induced significant mortality at 400 and 1200 μg/L, with a 120 h-EC50 value of 175.9 μg/L. CPC significantly decreased the heart rate of embryos (48 hpf; 4-400 μg/L) and larvae (72 hpf; 40 and 400 μg/L). At 120 hpf, CPC exhibited a dual effect on the locomotion activity (decreased at 400 μg/L and increased at 4 and 40 μg/L) and elevated the reactive oxygen species, superoxide dismutase, and glutathione levels in zebrafish larvae at 400 μg/L. In addition, a correlation anal. revealed that CPC-induced oxidative stress might play a critical role in mediating the cardiac and behavioral toxicity of CPC to zebrafish larvae. Our findings suggest that CPC may disturb the fish′s development, behavior, and oxidative status at environmentally relevant concentrations, which should not be ignored when assessing its potential risks to aquatic ecosystems.

Antioxidants published new progress about Aquatic ecosystem. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, COA of Formula: C21H38ClN.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem