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Application of 4556-23-4. 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: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about Aerobic Cross-Dehydrogenative Coupling Reactions for Selective Mono- and Dithiolation of Phenols. Author is Han, Dong-Yang; Liu, Xiao-Peng; Li, Ruo-Pu; Xu, Da-Zhen.

A highly efficient strategy for the direct thiolation of phenols, e.g., 1-pyrenol under transition metal-free and solvent-free conditions has been developed. These reactions are operationally simple with employing air (mol. oxygen) as an ideal oxidant and can selectively provide mono- and dithiolation products, e.g., I in good to excellent yields under basic conditions. The reaction tolerates a broad range of aryl thiols RSH (R = Ph, 2-naphthyl, pyridin-4-yl, etc.) and arenes and is especially applicable for large-scale synthesis.

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Computed Properties of C5H5NS. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about Tuning single-molecule conductance in metalloporphyrin-based wires via supramolecular interactions. Author is Aragones, Albert C.; Martin-Rodriguez, Alejandro; Aravena, Daniel; Puigmarti-Luis, Josep; Amabilino, David B.; Aliaga-Alcalde, Nuria; Gonzalez-Campo, Arantzazu; Ruiz, Eliseo; Diez-Perez, Ismael.

Nature has developed supramol. constructs to deliver outstanding charge-transport capabilities using metalloporphyrin-based supramol. arrays. Herein we incorporate simple, naturally inspired supramol. interactions via the axial complexation of metalloporphyrins into the formation of a single-mol. wire in a nanoscale gap. Small structural changes in the axial coordinating linkers result in dramatic changes in the transport properties of the metalloporphyrin-based wire. The increased flexibility of a pyridine-4-yl-methanethiol ligand due to an extra Me group, as compared to a more rigid 4-pyridinethiol linker, allows the pyridine-4-yl-methanethiol ligand to adopt an unexpected highly conductive stacked structure between the two junction electrodes and the metalloporphyrin ring. DFT calculations reveal a mol. junction structure composed of a shifted stack of the two pyridinic linkers and the metalloporphyrin ring. In contrast, the more rigid 4-mercaptopyridine ligand presents a more classical lifted octahedral coordination of the metalloporphyrin metal center, leading to a longer electron pathway of lower conductance. This works opens to supramol. electronics, a concept already exploited in natural organisms.

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Safety of 5-Chloro-1-methyl-4-nitroimidazole. 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: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Electrochemical reduction of bifunctional organic compounds. XI. Substituted N-methylnitroimidazoles. Author is Kargin, Yu. M.; Latypova, V. Z.; Fassakhov, R. Kh.; Arkhipov, A. I.; Eneikina, T. A.; Sharnin, G. P..

The mechanism was studied of the electrochem. reduction of nitro- and halo-substituted N-methylimidazoles where the substituents are NO2, Cl, Br, H, and NHPh. The process begins with the reverse transfer of an electron to the mol. to form anion radicals with different degrees of stability. The rate of anionic elimination of Br- from positions 2 and 5 in the anion radicals of 1-methyl-2(5)-bromo-4-nitroimidazole (k = 8.2 ± 0.5 and 12.1 ± 0.5 s-1, resp.) was evaluated.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Pyridine-4-thiol( cas:4556-23-4 ) is researched.Category: nitriles-buliding-blocks.Guo, Huiyuan; Huang, Qishen; Leng, Weinan; Zhan, Ying; Behkam, Bahareh; Willner, Marjorie R.; Wei, Haoran; Marr, Linsey C.; Vikesland, Peter J. published the article 《Bromide ion-functionalized nanoprobes for sensitive and reliable pH measurement by surface-enhanced Raman spectroscopy》 about this compound( cas:4556-23-4 ) in Analyst (Cambridge, United Kingdom). Keywords: bromide ion functionalized nanoprobe pH surface enhanced Raman spectroscopy. Let’s learn more about this compound (cas:4556-23-4).

4-Mercaptopyridine (4-Mpy) is a pH reporter mol. commonly used to functionalize nanoprobes for surface-enhanced Raman spectroscopy (SERS) based pH measurements. However, nanoprobes functionalized by 4-Mpy alone have low pH sensitivity and are subject to interference by halide ions in sample media. To improve nanoprobe pH sensitivity and reliability, we functionalized gold nanoparticles (AuNPs) with both 4-Mpy and bromide ion (Br-). Br- electrostatically stabilizes protonated 4-Mpy, thus enabling sensitive SERS detection of the protonation state of 4-Mpy as a function of pH while also reducing variability caused by external halide ions. Through optimization of the functionalization parameters, including suspension pH, [4-Mpy], and [Br-], the developed nanoprobes enable monitoring of pH from 2.1 to 10 with high SERS activity and minimal interference from halide ions within the sample matrix. As a proof of concept, we were able to track nanoprobe location and image the pH distribution inside individual cancer cells. This study provides a novel way to engineer reliable 4-Mpy-functionalized SERS nanoprobes for the sensitive anal. of spatially localized pH features in halide ion-containing microenvironments.

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Product Details of 4556-23-4. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about Efficient Raman Enhancement in Molybdenum Disulfide by Tuning the Interlayer Spacing. Author is Li, Xuanhua; Guo, Shaohui; Su, Jie; Ren, Xingang; Fang, Zheyu.

Two-dimensional nanomaterials, such as graphene and molybdenum disulfide (MoS2), have recently attracted widespread attention as surface-enhanced Raman scattering (SERS) substrates. However, their SERS enhancement is of a smaller magnitude than that of noble metal nanomaterials, and therefore, the detection sensitivity still needs to be substantially improved for practical applications. Here, we present the first detailed studies on the effect of the (MoS2) interlayer distances on the SERS intensity enhancement. We find that MoS2 with smaller interlayer distances achieves an SERS enhancement factor as high as 5.31 x 105, which is one of the highest enhancement factors to date among the two-dimensional nanomaterial SERS sensors. This remarkable SERS sensitivity is attributed to the highly efficient charge transfer from MoS2 to probe mols. The charge-transfer ability directly determines the variable quantity dz2 orbitals of Mo elements in the MoS2-mol. system and then tunes the Raman intensity of probe mols. Our work contributes to reveal the influence of MoS2 interlayer spacing on SERS detection and to open a new way for designing a highly sensitive nonmetal SERS technol.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-Chloro-1-methyl-4-nitroimidazole(SMILESS: C1=NC(=C(Cl)[N]1C)[N+]([O-])=O,cas:4897-25-0) is researched.Formula: C9H13NO2. The article 《Glutathione-reactive nitro compounds as radiosensitizers: mechanistic and therapeutic implications》 in relation to this compound, is published in International Journal of Radiation Oncology, Biology, Physics. Let’s take a look at the latest research on this compound (cas:4897-25-0).

Radiosensitization of Chinese hamster V79-379A cells to x-rays (1.93 Gy/min) by glutathione-reactive 4-nitroimidazoles is examined Sensitization efficiency increased with increasing nonprotein thiol depletion. Glutathione-nitroimidazole conjugate formation appeared to be correlated with thiol depletion. Sensitization with 5-chloro-1-methyl-4-nitroimidazole was studied, as well as with L-8711, Ro 31-0750, and Ro 21-7982. Therapeutic implications for tumor treatment are discussed.

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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: 128717-77-1, is researched, SMILESS is O=C(C1=CNC2=C1C=CC=C2OC)O, Molecular C10H9NO3Journal, Article, Research Support, Non-U.S. Gov’t, Journal of Medicinal Chemistry called Development and Profiling of Inverse Agonist Tools for the Neuroprotective Transcription Factor Nurr1, Author is Zaienne, Daniel; Willems, Sabine; Schierle, Simone; Heering, Jan; Merk, Daniel, the main research direction is inverse agonist neuroprotective transcription factor Nurr1.Electric Literature of C10H9NO3.

The ligand-sensing transcription factor nuclear receptor related 1 (Nurr1) evolves as an appealing target to treat neurodegenerative diseases. Despite its therapeutic potential observed in various rodent models, potent modulators for Nurr1 are lacking as pharmacol. tools. Here, we report the structure-activity relationship and systematic optimization of indole-based inverse Nurr1 agonists. Optimized analogs decreased the receptor’s intrinsic transcriptional activity by up to more than 90% and revealed preference for inhibiting Nurr1 monomer activity. In orthogonal cell-free settings, we detected displacement of NCoRs and disruption of the Nurr1 homodimer as mol. modes of action. The inverse Nurr1 agonists reduced the expression of Nurr1-regulated genes in T98G cells, and treatment with an inverse Nurr1 agonist mimicked the effect of Nurr1 silencing on interleukin-6 release from LPS-stimulated human astrocytes. The indole-based inverse Nurr1 agonists valuably extend the toolbox of Nurr1 modulators to further probe the role of Nurr1 in neuroinflammation, cancer, and beyond.

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Quality Control of 5-Chloro-1-methyl-4-nitroimidazole. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Simultaneous determination of 15 nitroimidazoles in cosmetics by HPLC coupled with electrospray ionization-tandem mass spectrometry. Author is Meng, Xian-Shuang; Bai, Hua; Zhang, Qing; Lv, Qing; Chen, Yun-Xia; Ma, Hui-Juan; Li, Jing-Rui; Ma, Qiang.

A sensitive and reliable anal. method based on HPLC/MS/MS has been developed for the simultaneous determination of 15 nitroimidazoles in cosmetics. A diversity of cosmetic samples, including powder, lotion, shampoo, and cream were collected. The samples were ultrasonically extracted with aqueous methanol, and the extracts were then subjected to cleanup by SPE using an Oasis HLB cartridge followed by filtration with a 0.20 μm membrane filter. Afterwards, chromatog. separation was performed on an XSelect CSH C18 column (2.1 × 150 mm, 3.5 μm) maintained at 30°C within 15 min by a gradient of acetonitrile-0.1% aqueous formic acid solution at a flow rate of 0.25 mL/min. The mass spectrometric detection was carried out using electrospray pos. ionization under the multiple reaction monitoring mode. A good linearity was observed over the concentration range from 0.5 to 500 ng/mL. The intraday and interday precisions, which were investigated by determining all target compounds in cosmetics seven times/day and on 7 consecutive days, were below 5.00%. The mean recoveries at three spiked levels ranged from 80.42 to 100.83% with the RSDs from 0.45 to 9.02%. The LOQs were determined to be between 0.01 and 0.1 mg/kg. The method was sufficiently rapid, reliable, and sensitive for the determination of 15 nitroimidazoles in cosmetics.

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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of Kα and Valence-to-Core Kβ X-ray Emission Spectroscopy, published in 2020-07-02, which mentions a compound: 4556-23-4, Name is Pyridine-4-thiol, Molecular C5H5NS, HPLC of Formula: 4556-23-4.

An extensive exptl. and theor. study of the Kα and Kβ high-resolution X-ray emission spectroscopy (XES) of sulfur-bearing systems is presented. This study encompasses a wide range of organic and inorganic compounds, including numerous exptl. spectra from both prior published work and new measurements. Employing a linear-response time-dependent d. functional theory (LR-TDDFT) approach, strong quant. agreement is found in the calculation of energy shifts of the core-to-core Kα as well as the full range of spectral features in the valence-to-core Kβ spectrum. The ability to accurately calculate the sulfur Kα energy shift supports the use of sulfur Kα XES as a bulk-sensitive tool for assessing sulfur speciation. The fine structure of the sulfur Kβ spectrum, in conjunction with the theor. results, is shown to be sensitive to the local electronic structure including effects of symmetry, ligand type and number, and, in the case of organosulfur compounds, to the nature of the bonded organic moiety. This agreement between theory and experiment, augmented by the potential for high-access XES measurements with the latest generation of laboratory-based spectrometers, demonstrates the possibility of broad anal. use of XES for sulfur and nearby third-row elements. The effective solution of the forward problem, i.e., successful prediction of detailed spectra from known mol. structure, also suggests future use of supervised machine learning approaches to exptl. inference, as has seen recent interest for interpretation of X-ray absorption near-edge structure (XANES).

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Electric Literature of C5H5NS. 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: Pyridine-4-thiol, is researched, Molecular C5H5NS, CAS is 4556-23-4, about A rare case of a 2:2:1 ternary cocrystal of pyridine sulfides and trithiocyanuric acid. Author is Wzgarda-Raj, Kinga; Ksiazkiewicz, Olga; Palusiak, Marcin.

We report a rare case of a 2:2:1 ternary cocrystal consisting of two trithiocyanuric acid mols., two bis(pyridin-4-yl) sulfide mols. and 1,4-bis(pyridin-4-yl)tetrasulfane, namely, 1,3,5-triazinane-2,4,6-trithione-4-(pyridin-4-ylsulfanyl)pyridine-1,4-bis(pyridin-4-yl)tetrasulfane (2/2/1), 2C3H3N3S3·2C10H8N2S·C10H8N2S4. This interesting crystal structure with five neutral mols. per asym. unit was synthesized and characterized by means of X-ray diffraction (XRD) experiments and quantum-chem. modeling. Among various specific interactions, hydrogen and halogen bridges have a significant role in stabilizing the crystal structure. In particular, the role played by stacking interactions has been revealed by structure anal. and theor. calculations Crystallization was spontaneous and reproducible. One of the components, 1,4-bis(pyridin-4-yl)tetrasulfane, has been characterized by XRD for the first time.

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