Month: April 2022

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 Genetics influence postharvest measurements of flue-cured tobacco more than nitrogen application rate, the main research direction is Nicotiana nitrogen nicotine alkaloids genotype plant genetics environment.Formula: C10H14N2.

Regulations under consideration by the U.S. Food and Drug Administration and the World Health Organization propose that nicotine concentration in tobacco (Nicotiana tabacum L.) should be lowered to non-addictive levels (0.3 to 0.5 mg g-1). The proposed standards are 90 to 95% lower than the nicotine concentration typically documented in com. available cultivars. Research was conducted in six environments to evaluate two cultivars with normal alkaloid levels (K326 and NC95) and four genotypes with low alkaloid levels (DH16A, DH22A, DH32, and LAFC53). Each cultivar and genotype was paired with three N application rates: 70, 85, and 100% of the recommended rate. As N application declined, so too did cured leaf yield and nicotine, anabasine, and anatabine concentration in K326 and NC95. These factors were generally not affected by N application in the low alkaloid genotypes. In contrast, LAFC53 consistently produced the lowest cured leaf quality, value, and reducing sugar concentration when compared to all other cultivars. This observation demonstrates that K326 isolines are agronomically superior to LAFC53. Despite reductions in nicotine, the lowest documented concentration was still 10-fold greater than the proposed min. (LAFC53). Nitrogen did not influence the measured parameters as much as genetics; therefore, addnl. research that involves other agronomic practices is warranted. In addition, further genetic manipulation will be required to meet the standards proposed by regulatory groups.

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

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Nucleobase oxidation of DNA by (terpyridyl)chromium(III) derivatives, published in 2004-05-03, which mentions a compound: 89972-77-0, mainly applied to oxidation DNA terpyridyl chromium derivative, Recommanded Product: 4-(p-Tolyl)-2,2:6,2-terpyridine.

The Cr(III) complexes [Cr(ttpy)2](ClO4)3 (I) and [Cr(Brphtpy)2](ClO4)3 (II), containing the terpyridyl derivatives ttpy and Brphtpy [ttpy = p-tolylterpyridine; Brphtpy = (p-bromophenyl)terpyridine] were synthesized and characterized by ESI-MS, electronic spectroscopy, and cyclic voltammetry. Absorption titration and thermal denaturation studies reveal that both complexes are moderate binders of calf thymus DNA (CT DNA), while viscosity measurements show that they bind with partial intercalation. Binding of the 2 Cr complexes to DNA and mononucleotides dGMP, dAMP, dCMP, and dTMP decreases the emission intensity of II. However, the emission intensity of I is quenched only by DNA and the nucleotides dGMP and dAMP. Excited state potentials of both I and II have been estimated to be 1.65 and 1.85 V vs. NHE. These results demonstrate that II is a stronger photooxidant than I and other (diimine)chromium complexes, and that it can oxidize nucleobases. The photonuclease activity of I and II was confirmed by gel electrophoresis.

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

Gallina, Maria Elena; Bergamini, Giacomo; Di Motta, Simone; Sakamoto, Junji; Negri, Fabrizia; Ceroni, Paola published an article about the compound: 4-(p-Tolyl)-2,2:6,2-terpyridine( cas:89972-77-0,SMILESS:CC1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)C=C1 ).Product Details of 89972-77-0. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:89972-77-0) through the article.

The investigated multiterpyridine chromophores form a 2D network upon metal ion complexation that causes profound changes to their photophys. properties; the exptl. results are complemented by modeling of the electronic properties of isolated monomers as well as the structure of the polymeric network.

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Reference:
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 Studies on structurally simple α,β-butenolides. II. (-)-(S)-γ-Hydroxymethyl-α,β-butenolide and derivatives from D-ribonolactone. Efficient synthesis of (-)-ranunculin, the main research direction is ribonolactone ethoxymethylene elimination; ranunculin total synthesis; butenolide hydroxymethyl preparation functionalization; condensation hydroxymethylbutenolide glucopyranosyl bromide; elimination ethoxymethyleneribonolactone.Application In Synthesis of (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one.

Acid-catalyzed cyclocondensation reaction of D-ribonolactone with (EtO)3CH in refluxing THF for 12 h followed by pyrolysis at 220° and 40 Torr gave 68% of the title butenolide (I; R = H) (II). The preparation of chiral derivatives of II, e.g. I (R = Me, PhCH2, Bu, Ph3C, Ac), is described. Condensation reaction of II with 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide in CHCl3 with stirring at room temp for 86 h gave 77% I (R = Q, R1 = Ac) which underwent deacetylation to give 85% (-)-ranunculin (I; R = Q, R1 = H).

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

Related Products of 2834-05-1. 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: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Castor oil biorefinery: Conceptual process design, simulation and economic analysis. Author is Dimian, Alexandre C.; Iancu, Petrica; Plesu, Valentin; Bonet-Ruiz, Alexandra-Elena; Bonet-Ruiz, Jordi.

The paper presents the conceptual design of a castor oil biorefinery. Castor oil contains over 90% ricinoleic acid (12-hydroxy-9-octadecenoic) triglyceride, a versatile functional mol. Fatty Me ricinoleic ester (FAMRE) is the key building block. This can be valorised as biodiesel, but more profitable is making biochems., namely high-value polyamides. The goal is the conceptual design, simulation and economic anal. of a biorefinery processing 80 ktpy castor oil, equally shared between biodiesel and biochems. The process synthesis work is based on research papers and patents, supported by simulation with Aspen Plus . The biorefinery involves three plants: transesterification, pyrolysis and amination. Two innovative technologies are developed for transesterification, by heterogeneous catalysis in variable-time PFR and by homogeneous catalysis in reactive-extraction device. The reactors are simulated by employing detailed kinetics such that the ester composition fulfils the specifications set by the quality norms for biodiesel. Both methods result in compact and low energy processes, but the first delivers more valuable high-purity glycerol. FAMRE pyrolysis supplies heptanal, a valuable intermediate for specialties, and Me undecenoate, converted further to ω-aminoundecanoic acid. Energy saving of 77% is achieved by employing mech. vapor recompression. The amination is complex as chem. and processing, involving aqueous solutions and solids. The economic anal. estimates capital costs and min. product prices for 20% ROI. The performance and contribution of each process is highlighted. The bottleneck in design is the amination plant, capital-intensive and handling large amounts of process water. This stage makes necessary high equipment and energy costs but delivers a high-value monomer that boost the profitability. The result is that at equal throughput the biochems. bring 2.5 times more revenues than biodiesel. By a synergy effect, high-value biochems. sustain the profitability of commodity biodiesel, which in turn offers a broader market and secures stable revenues for farmers.

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

Quality Control of 11-Bromoundecanoic acid. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Molecular Conformation in Charge Tunneling across Large-Area Junctions. Author is Du, Chuanshen; Norris, Sean R.; Thakur, Abhishek; Chen, Jiahao; VanVeller, Brett; Thuo, Martin.

Self-assembled monolayers are predicated on thermodn. equilibrium; hence, their properties project accessible relaxation pathways. Herein, we demonstrate that charge tunneling correlates with conformational degrees of freedom(s). Results from open chain and cyclic head groups show that, as expected, distribution in tunneling data correlates with the orientation of the head group, akin to the odd-even effect and more importantly the degree of conformational freedom, but fluctuates with applied bias. Trends in nature of distributions in c.d. illuminate the need for higher statistical moments in understanding these rather dynamic systems. We employ skewness, kurtosis, and estimation plots to show that the conformational degree of freedom in the head group significantly amplifies the odd-even effect and may lead to enhanced or perturbed tunneling based on whether the head group is on an odd- or even-parity spacer.

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

Reference of 11-Bromoundecanoic acid. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 11-Bromoundecanoic acid, is researched, Molecular C11H21BrO2, CAS is 2834-05-1, about Development of technetium-99m labeled ultrafine gold nanobioconjugates for targeted imaging of folate receptor positive cancers. Author is Kumar, Dheeraj; Sakhare, Navin; Das, Soumen; Kale, Pooja; Mathur, Anupam; Mirapurkar, Shubhangi; Muralidharan, Sheela; Chaudhari, Pradip; Mohanty, Bhabani; Ballal, Anand; Patro, Pankaj.

The present work aims to develop and evaluate a radioactive technetium-99m (99mTc) labeled gold nanoparticle (NP) preparation modified with folic acid, so as to diagnose folate receptor pos. cancers viz. ovarian, breast, etc.11-Bromoundecanoic acid (UA) was synthetically modified both with folic acid and Hydrazinonicotinic acid (HYNIC) chelate at the carboxylic acid end and subsequently converted to thiol functionality at the bromo terminal to yield folic acid-UA-SH and HYNIC-UA-SH ligands resp. Gold NPs modified with folic acid and HYNIC chelator were obtained on direct addition of folic acid-UA-SH and HYNIC-UA-SH to chloroauric acid in polysorbate 80 solution under reducing conditions. Inhibition of [3H]folic acid with functionalized gold nanoparticle revealed affinity towards FR pos. KB cell lines with an IC50 9 μM. Biodistribution studies of 99mTc-labeled gold NP preparation in SCID mice bearing KB tumor showed an uptake of 1.39 ± 0.18%ID/g in tumor and 5.48 ± 0.72%ID/g in kidneys at 3 h post-injection. In vivo distribution in folic acid pre-treated animals could not establish the specificity towards folate receptors. Biol. evaluation of functionalized gold NP showed affinity towards FR pos. cancer cell lines. 99mTc-labeled NP exhibited target uptake in both in vitro and in vivo models, but folic acid inhibition could not establish the target specificity.

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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about An Enantioselective Ring Expansion Route Leading to Furanose and Pyranose Nucleosides Featuring Spirodiketopiperazines at the Anomeric Position.Recommanded Product: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one.

A study directed at the enantioselective synthesis of spirodiketopiperazine homologs, e.g. I, of hydantocidin is described. Furanoid glycals, systems that are amenable to C-5 metalation in the presence of tert-butyllithium, are readily coupled to N-protected 2,3-azetidinediones provided that at least 1 equiv of BF3·OEt2 is present to curb enolization. The resulting 1:1 mixtures of carbinols undergo smooth ring expansion to spirocyclic keto amides when heated with pyridinium p-toluenesulfonate in benzene. 1,2-acyl shifts operate exclusively. Since attempts to engage these products in Beckmann rearrangement proved singularly unsuccessful, recourse was alternatively made to new methodol. based upon sequential Baeyer-Villiger oxidation and ammonolysis. The data show that the first of these steps occurs with exclusive migration of the quaternary carbon. Furthermore, nucleophilic attack by NH3 can be directed regioselectively to the anomeric region. If heating is supplied during acid-promoted cyclization to the spirodiketopiperazines, spiropyranose derivatives are produced in a complementary process. The central issue of this synthesis effort was the utilization of 4-phenylseleno-substituted furanoid glycals so as to ultimately enable introduction of the cis-diol functionality at C-3 and C-4 (hydantocidin numbering).

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

Electric Literature of C5H8O3. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: (S)-5-(Hydroxymethyl)dihydrofuran-2(3H)-one, is researched, Molecular C5H8O3, CAS is 32780-06-6, about Multi-Gram Scale Synthesis of Chiral 3-Methyl-2,5-trans-tetrahydrofurans. Author is Qin, Shuanglin; Cao, Yuting; Luo, Yunhao; Jiang, Shende; Clark, J. Stephen; Wang, Xiaoji; Yang, Guang.

In this article, we report the rapid and facile synthesis of chiral 3-methyl-2,5-trans-tetrahydrofurans. This reaction utilizes cheap and easily available starting materials. A domino hydrolysis and intramol. Michael-type ring closure reaction was the key step. As a result, synthesis of the desired 3-methyl-2,5-trans-tetrahydrofurans could be achieved in gram-scale over seven linear steps with high chem. yield and high diastereoselectivity.

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

SDS of cas: 89972-77-0. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 4-(p-Tolyl)-2,2:6,2-terpyridine, is researched, Molecular C22H17N3, CAS is 89972-77-0, about Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands. Author is Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao.

This paper reports two structurally unique CuCN-terpyridine hybrid networks of 4′-p-tolyl-2,2′: 6′,2”-terpyridine (ttpy) prepared under solvothermal conditions: [(CuCN)5(ttpy)]n (1), [(CuCN)3(ttpy)]n (2). Complex 1 features a tri-layer structure with 3-connected binodal (8210)·(8210) topol., while complex 2 features an unusual honeycomb-like layer structure. The adjacent honeycomb-like layers consist of the opposite handed helical CuCN-ttpy chains. In both complexes, each ttpy coordinates two copper(I) atoms with short Cu-Cu distances, and the side pyridyl group rotates in a certain angle from the central pyridyl plane directing the formation of the diversified networks.

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