Catalyst ligands

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 494-52-0, is researched, SMILESS is C1(C=NC=CC=1)[C@@H]1CCCCN1, Molecular C10H14N2Journal, Article, Journal of Chromatography A called Chiral determination of nornicotine, anatabine and anabasine in tobacco by achiral gas chromatography with (1S)-(-)-camphanic chloride derivatization: Application to enantiomeric profiling of cultivars and curing processes, Author is Cai, Kai; Zhao, Huina; Yin, Runsheng; Lin, Yechun; Lei, Bo; Wang, Anping; Pan, Wenjie; Cai, Bin; Gao, Weichang; Wang, Feng, the main research direction is Chiral determination nornicotine anatabine anabasine tobacco; Alkaloids; Chiral derivatization; Cultivars; Curing processes; Tobacco; Validation.Safety of (S)-3-(Piperidin-2-yl)pyridine.

The alkaloid enantiomers are well-known to have different physiol. and pharmacol. effects, and to play an important role in enantioselectivity metabolism with enzymes catalysis in tobacco plants. Here, we developed an improved method for simultaneous and high-precision determination of the individual enantiomers of nornicotine, anatabine and anabasine in four tobacco matrixes, based on an achiral gas chromatog.-nitrogen phosphorus detector (GC-NPD) with commonly available Rtx-200 column using (1S)-(-)-camphanic chloride derivatization. The method development consists of the optimization of extraction and derivatization, screening of achiral column, anal. of the fragmentation mechanisms and evaluation of matrix effect (ME). Under the optimized exptl. conditions, the current method exhibited excellent detection capability for the alkaloid enantiomers, with coefficients of determination (R2) > 0.9989 and normality test of residuals P > 0.05 in linear regression parameters. The ME can be neglected for the camphanic derivatives The limit of detection (LOD) and limit of quantitation (LOQ) ranged from 0.087 to 0.24μg g – 1 and 0.29 to 0.81μg g – 1, resp. The recoveries and within-laboratory relative standard deviations (RSDR) were 94.3%∼104.2% and 0.51%∼3.89%, resp. The developed method was successfully applied to determine the enantiomeric profiling of cultivars and curing processes. Tobacco cultivars had a significant impact on the nornicotine, anatabine, anabasine concentration and enantiomeric fraction (EF) of (R)-nornicotine, whereas the only significant change induced by the curing processes was an increase in the EF of (R)-anabasine.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Synthetic Route of C10H14N2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Challenges associated with quantification of selected urinary biomarkers of exposure to tobacco products. Author is Habibagahi, Arezoo; Siddique, Shabana; Harris, Shelley A.; Alderman, Nicholas; Aranda-Rodriguez, Rocio; Farhat, Imen; Chevrier, Jonathan; Kubwabo, Cariton.

Tobacco use, of which cigarette smoking is the most common, is a global health concern and is directly linked to over 7 million premature deaths annually. Measurement of the levels of tobacco-related biomarkers in biol. matrixes reflects human exposure to the chems. in tobacco products. Nicotine, nicotine metabolites, anatabine, and anabasine are specific to tobacco and nicotine containing products. However, as nicotine and its metabolites are ubiquitous in the environment, background contamination during sample preparation can occur, making the quantification of target analytes challenging. The main purpose of the present study was to examine quality control measures needed in the determination of urinary nicotine, nicotine metabolites, anatabine, and anabasine. Urine samples (n = 75) and NIST standard reference materials SRM 3671 and SRM 3672 were analyzed. A one-step extraction procedure using cold acetone was used in this study, which involved no addnl. clean up. The blank matrixes investigated included synthetic urine prepared with HPLC-grade water, synthetic urine prepared with Milli-Q water, and bovine urine. By adopting strategies for minimizing the background levels, very low detection limits for all the target analytes ranging from 0.025 ng/mL for 3-hydroxycotinine to 0.634 ng/mL for nicotine, were achieved. Recoveries ranged between 67% and 118% with RSD values below 20%. Intra-day and inter-day precisions were in the range of 1.1-11.7% and 4.8-25.2%, resp. The levels of all target analytes were higher in daily smokers than in non-smokers, with the largest difference observed for 3-hydroxycotinine. No difference was observed in the levels of target analytes between individuals who were former smokers, who never smoked or who were exposed to environmental tobacco smoke (ETS), except for total nicotine equivalent (TNE), which was significantly higher in non-smokers exposed to environmental tobacco smoke compared with study participants who never smoked. The results obtained from SRM 3671 and SRM 3672 could inform a potential certification of addnl. biomarkers of exposure to tobacco products in those standard reference materials.

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Metal catalyst and ligand design,
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Category: catalyst-ligand. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about Synthesis, Structure, Photophysical Properties, and Redox Behavior of Cyclometalated Complexes of Iridium(III) with Functionalized 2,2′-Bipyridines. Author is Neve, Francesco; Crispini, Alessandra; Campagna, Sebastiano; Serroni, Scolastica.

The new functionalized polypyridine ligands 4′-(4-chlorophenyl)-6′-phenyl-2,2′-bipyridine (clpbpy), 4′-(4-tolyl)-6′-phenyl-2,2′-bipyridine (tpbpy), and 4′-(4-carboxyphenyl)-6′-phenyl-2,2′-bipyridine (cpbpy), together with the known 4′-(4-hydroxyphenyl)-6′-phenyl-2,2′-bipyridine (hpbpy) and 4′-(4-tolyl)-2,2′:6′,2”-terpyridine (ttpy) have been used to prepare a new series of Ir(III) cyclometalated compounds [Ir(ppy)2(HL-X)][PF6] (ppy is the monoanion of 2-phenylpyridine; HL-X = hpbpy (1), clpbpy (2), tpbpy (3), cpbpy (4), and ttpy (5)). All the new species have been characterized by IR and 1H NMR, and the crystal structure of 4 is also presented and discussed. All the metal complexes exhibit oxidation mainly centered on an orbital derived from an Ir-(C-) σ-bond and ligand-centered reduction processes; all of them are luminescent from 3MLCT levels both at 77 K in a rigid matrix and at 298 K in fluid solution The redox and absorption properties are more or less insensitive to the remote substituents on the rotationally free 4′-Ph ring, whereas fine-tuning of the luminescence properties is observed on changing substituents. The results show that the “”energy gap law”” for radiationless decay in the weak coupling limit is obeyed by this series of complexes, when complex 5 is excluded. Interestingly, the slope of the linear relationship between ln knr and the emission energy at room temperature is significantly smoother than that reported for other luminescent polypyridine complexes containing different metals. Because of the high luminescence quantum yield and the presence of functionalities in the polypyridine ligand framework, the complexes reported may be considered as useful building blocks for light- and redox-active, multicomponent supramol. systems.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5,6-Dihydro-2H-pyran-2-one, is researched, Molecular C5H6O2, CAS is 3393-45-1, about Regioselective, Photocatalytic α-Functionalization of Amines, the main research direction is amine iridium photocatalyst regioselective addition reaction DFT study.Application In Synthesis of 5,6-Dihydro-2H-pyran-2-one.

Photocatalytic α-functionalization of amines provided a mild and atom-economical means to synthesized α-branched amines. Prior examples featured sym. or electronically biased substrates. A controllable α-functionalization of amines in which regioselectivity can be tuned with minor changes to the reaction conditions.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Allergenic α-methylene-γ-butyrolactones. Stereospecific synthesis of (+)- and (-)-γ-methyl-α-methylene-γ-butyrolactones. A study of the specificity of (+) and (-) enantiomers in inducing allergic contact dermatitis, the main research direction is butyrolactone methyl methylene enantiomer; stereoselectivity allergenic butyrolactone; dermatitis allergenic butyrolactone.SDS of cas: 32780-06-6.

Allergenic enantiomeric butyrolactones I (X = α-H, β-Me; α-Me, β-H) were stereoselectively prepared from the corresponding (R)-(-)- and (S)-(+)-glutamic acids and the specificity of the enantiomers in producing allergenic contact dermatitis in sensitized guinea pigs was determined

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Application of 89972-77-0. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about Proton-Activated Amorphous Room-Temperature Phosphorescence for Humidity Sensing and High-Level Data Encryption. Author is Deng, Yuchen; Li, Peng; Sun, Shujuan; Jiang, Haiyan; Ji, Xu; Li, Huanrong.

Supramol. co-assembling terpyridine-derivatives I and II, with nanoclay (LP) are exploited to acquire efficient amorphous room-temperature phosphorescence (RTP). Exptl. and theor. investigations reveal that this co-assembly not only brings about a configuration transformation from the trans-trans (a) to the cis-trans (a”) form via the protonating process, significantly narrowing the singlet-triplet energy gap, thereby effectively facilitating the single-triplet ISC processes, but also well protects the triplet state and suppresses the nonradiative transitions via restricting mol. rotation and vibration by the hydrogen-bond interactions between them. Addnl., the flexible and transparent films, through co-assembling 1@LP (or 2@LP) with polyvinyl alc. (PVA), also display excellent phosphorescence performance. Owing to their distinctive RTP performances, the RH sensing and high-level data encryption are achieved.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Safety of 4-(p-Tolyl)-2,2:6,2-terpyridine. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about 4′-(4-Methylphenyl)-2,2′:6′,2”-terpyridine. Author is Liu, Han-Guo; Qiu, Yong-Cai; Wu, Jian-Zhong.

There are two crystallog. independent mols. in the asym. unit of the title compound, C22H17N3. In each mol., the three pyridyl groups are nearly coplanar, whereas the tolyl groups are twisted out of the plane of the attached pyridyl rings by ∼28°. The mol. components are assembled through C-H···π and π-π interactions [centroid-centroid distances are 3.677(4) and 3.707(7) Å] into a 1-dimensional chain running in the a-axis direction. Crystallog. data and at. coordinates are given.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

Reference of 11-Bromoundecanoic acid. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Antioxidant and Biological Activities of Novel Structured Monoacylglycerol Derivatives with Phenolic Acids. Author is Gandhi, Bhukya; Juliya, Johny; Dileep, Veeragoni; Uma Rajeswari, Batchu; Misra, Sunil; Kaki, Shiva Shanker.

Novel structured monoacylglycerol (MAG)-based phenolic lipids are synthesized from11-bromoundecanoic acid, phenolic acids, and solketal. Selected phenolic acids namely 4-hydroxy benzoic, vanillic, syringic, cinnamic, p-coumaric, sinapic, 4-fluorocinnamic, 4-hydroxyphenyl acetic acid, 3-(4-hydroxyphenyl) propanoic and dihydrocaffeic acids are employed for the synthesis of ten novel MAG-based phenolic lipids. The synthesized phenolic lipids are characterized by FT-IR, NMR, and mass spectra anal. All the compounds are evaluated for antioxidant, antimicrobial, and cytotoxic activities. MAG derivative 8g of sinapic acid exhibits excellent antioxidant activity in both DPPH assay and inhibition of lipid oxidation assay. MAG derivative 8f bearing p-coumaric acid shows good antimicrobial activity against both Gram-pos. and Gram-neg. bacterial strains with a min. inhibitory concentration (MIC) value of 6.25 μM mL-1. All the synthesized compounds are found to exhibit cytotoxicity against B16, DU145, and CHO cell lines, while sinapic and p-coumaric acid derivatives exhibit better activities compared to other derivatives

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

HPLC of Formula: 89972-77-0. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about Surmounting tumor resistance to metallodrugs by co-loading a metal complex and siRNA in nanoparticles. Author is Qiao, Hongzhi; Zhang, Lei; Fang, Dong; Zhu, Zhenzhu; He, Weijiang; Hu, Lihong; Di, Liuqing; Guo, Zijian; Wang, Xiaoyong.

Copper complexes are promising anticancer agents widely studied to overcome tumor resistance to metal-based anticancer drugs. Nevertheless, copper complexes per se encounter drug resistance from time to time. Adenosine-5′-triphosphate (ATP)-responsive nanoparticles containing a copper complex CTND and B-cell lymphoma 2 (Bcl-2) small interfering RNA (siRNA) were constructed to cope with the resistance of cancer cells to the complex. CTND and siRNA can be released from the nanoparticles in cancer cells upon reacting with intracellular ATP. The resistance of B16F10 melanoma cells to CTND was terminated by silencing the cellular Bcl-2 gene via RNA interference, and the therapeutic efficacy was significantly enhanced. The nanoparticles triggered a cellular autophagy that amplified the apoptotic signals, thus revealing a novel mechanism for antagonizing the resistance of copper complexes. In view of the extensive association of Bcl-2 protein with cancer resistance to chemotherapeutics, this strategy may be universally applicable for overcoming the ubiquitous drug resistance to metallodrugs.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-3-(Piperidin-2-yl)pyridine, is researched, Molecular C10H14N2, CAS is 494-52-0, about Comprehensive genome-wide identification, characterization, and expression profiling of MATE gene family in Nicotiana tabacum, the main research direction is Nicotiana MATE transporter family expression profiling; Co-expression; Gene expression; MATE transporters; Nicotiana tabacum.Computed Properties of C10H14N2.

The transporters belonging to the MATE family are involved in the transportation of diverse ligands, including metal ions and small organic mols., and, therefore, play an important role in plant biol. Our genome-wide anal. led to the identification of 138 MATE genes in N. tabacum, which were grouped into four major phylogenetic clades. The expression of several NtMATE genes was reported to be differential in different tissues, namely young leaf, mature leaf, stem, root, and mature flower. The upstream regions of the NtMATE genes were predicted to contain several cis-acting elements associated with hormonal, developmental, and stress responses. Some of the genes were found to display induced expression following Me jasmonate treatment. The co-expression anal. revealed 126 candidate transcription factor genes that might be involved in the transcriptional regulation of 21 NtMATE genes. Certain MATE genes (NtMATE81, NtMATE82, NtMATE88, and NtMATE89) were predicted to be targeted by micro RNAs (nta-miR167a, nta-miR167b, nta-miR167c, nta-miR167d and nta-miR167e). The computational anal. of MATE transporters provided insights into the key amino acid residues involved in the binding of the alkaloids. Further, the putative function of some of the NtMATE transporters was also revealed. The present study develops a solid foundation for the functional characterization of MATE transporter genes in N. tabacum.

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Metal catalyst and ligand design,
Ligand Template Strategies for Catalyst Encapsulation – NCBI