Day: October 14, 2022

Hageman, Jeske H. J.; Nieuwenhuizen, Arie G.; van Ruth, Saskia M.; Hageman, Jos A.; Keijer, Jaap published the artcile< Application of Volatile Organic Compound Analysis in a Nutritional Intervention Study: Differential Responses during Five Hours Following Consumption of a High- and a Low-Fat Dairy Drink>, Related Products of 350-03-8, the main research area is volatile organic compound fat dairy drink; breath analysis; breathomics; inter- and intraindividual variation; lipids; volatile organic compounds (VOCs).

Scope : Exhaled volatile organic compounds (VOCs) are a possible relevant target for noninvasive assessment of metabolic responses. Using a breathomics approach, it is aimed to explore whether lipid intake influences VOC profiles in exhaled air, and to obtain insight in intra- and interindividual variations. Methods and results : Three human interventions are performed. In the first, 12 males consume a high-fat drink on three study days. In the second, 12 males receive a high- and a low-fat drink on 6 days. In the third, three volunteers consume the high-fat drink again for tentative compound identification. Participants are asked to exhale, for 5 h postprandial with 15-20 min intervals, into a proton-transfer-reaction mass spectrometer, and VOCs in exhaled air are measured. Consumption of a drink alters the VOC profile, with considerable interindividual variation and quant. intraindividual differences between days. Consumption of two different drinks results in a distinct VOC profile, caused by several specific m/z values. Most of these compounds are identified as being related to ketone body formation and lipid oxidation, showing an increase in high- vs. low-fat drink. Conclusion : Exhaled VOCs have the potential to assess differences in metabolic responses induced by nutrition, especially when day-to-day variation can be minimized.

Molecular Nutrition & Food Research published new progress about Beverages. 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kufka, Rainer; Rennert, Robert; Kaludjerovic, Goran N.; Weber, Lutz; Richter, Wolfgang; Wessjohann, Ludger A. published the artcile< Synthesis of a tubugi-1-toxin conjugate by a modulizable disulfide linker system with a neuropeptide Y analogue showing selectivity for hY1R-overexpressing tumor cells>, Safety of 1,2-Di(pyridin-2-yl)disulfane, the main research area is breast colon prostate cancer tubugi 1 toxin neuropeptide Y; PDC; Ugi reaction; drug targeting; neuropeptide Y; peptide–drug conjugate; targeted tumor therapy; tubugi; tubulysin A.

Tubugi-1 is a small cytotoxic peptide with picomolar cytotoxicity. To improve its cancer cell targeting, it was conjugated using a universal, modular disulfide derivative This allowed conjugation to a neuropeptide-Y (NPY)-inspired peptide [K4(C-βA-),F7,L17,P34]-hNPY, acting as NPY Y1 receptor (hY1R)-targeting peptide, to form a tubugi-1-SS-NPY disulfide-linked conjugate. The cytotoxic impacts of the novel tubugi-1-NPY peptide-toxin conjugate, as well as of free tubugi-1, and tubugi-1 bearing the thiol spacer (liberated from tubugi-1-NPY conjugate), and native tubulysin A as reference were investigated by in vitro cell viability and proliferation screenings. The tumor cell lines HT-29, Colo320 (both colon cancer), PC-3 (prostate cancer), and in conjunction with RT-qPCR analyses of the hY1R expression, the cell lines SK-N-MC (Ewing′s sarcoma), MDA-MB-468, MDA-MB-231 (both breast cancer) and 184B5 (normal breast; chem. transformed) were investigated. As hoped, the toxicity of tubugi-1 was masked, with IC50 values decreased by ca. 1,000-fold compared to the free toxin. Due to intracellular linker cleavage, the cytotoxic potency of the liberated tubugi-1 that, however, still bears the thiol spacer (tubugi-1-SH) was restored and up to 10-fold higher compared to the entire peptide-toxin conjugate. The conjugate shows toxic selectivity to tumor cell lines overexpressing the hY1R receptor subtype like, e.g., the hard to treat triple-neg. breast cancer MDAMB- 468 cells.

Beilstein Journal of Organic Chemistry published new progress about Antitumor agents. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Safety of 1,2-Di(pyridin-2-yl)disulfane.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gangireddy, Madhu Sudhana Reddy; Mantipally, Manohar; Badavath, Vishnu Nayak; Maddipati, Venkatanarayana Chowdary; Paidikondala, Kalyani; Katari, Naresh Kumar; Gundla, Rambabu published the artcile< Design, synthesis and molecular docking of piperidin-4-amine linked pyrimidine derivatives as potent anticancer agents>, Recommanded Product: Pyridin-4-ylmethanamine, the main research area is aminopiperidinyl hydroxycyclohexylamino pyrimidine carboxamide preparation cytotoxicity antitumor SAR docking.

A series of rationally designed novel hybrid piperidin-4-amine linked pyrimidine derivatives I [R = n-propylamino, cyclobutylamino, phenylethylamino, etc.] were synthesized. Compound I [R = 3,4-dimethoxyphenylethylamino] was found to be most potent with (IC50 = 1.92μM, 60.94% inhibition), while I [R = 4-pyridylethylamino] (IC50 of 5.2μM, 66.45% inhibition), the second most potent among all, against HepG2 human liver cancer cell lines. Compounds I [R = 4-pyridylethylamino, 4-fluorophenylmethylamino] exhibited excellent inhibition percentages of 66.45 and 68.76 resp., compared to pos. control Paclitaxel (62.12%). In-silico target hunting for the potent compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] revealed two possible targets, one was binding with human estrogen receptor and other one was inhibiting tubulin polymerization The mol. docking studies suggested that compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] with hydrophobic group linked by an alkyl chain may facilitate free access in the Helix 12 domain (in determining potency plays a crucial role) in the human estrogen receptor’s active and also inhibiting the tubulin polymerase by binding site at α/β-tubuline interface at colchicine binding site.

Chemical Data Collections published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Recommanded Product: Pyridin-4-ylmethanamine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Verma, Meenakshi; Chaudhary, Monika; Singh, Amanpreet; Kaur, Navneet; Singh, Narinder published the artcile< Naphthalimide-gold-based nanocomposite for the ratiometric detection of okadaic acid in shellfish>, Application of C6H8N2, the main research area is naphthalimide gold nanocomposite nanoparticle okadaic acid shellfish.

Okadaic acid (OA) is one of the known marine biotoxins produced by various dinoflagellates and exists in seafood such as shellfish. The consumption of contaminated shellfish with OA leads to diarrheic shellfish poisoning (DSP), which results in the inhibition of protein phosphatase enzymes in humans. This poisoning can cause immunotoxicity and tumor promotion due to the accumulation of okadaic acid in more than the allowed limit in bivalve molluscs. The reported methods for the detection of okadaic acid include mouse bioassays, immunoassays, chromatog. coupled with spectroscopic techniques, electrochem. sensors and immunosensors. We have developed a naphthalimide-gold-based nanocomposite for the detection of okadaic acid. Individually, the organic nanoparticles (ONPs) of synthesized naphthalimide-based receptors and gold-coated ONPs are less sensitive for detection. However, fabrication of the composite of Au@ONPs and ONPs enhance the sensing properties and selectivity. The composite shows a ratiometric response in the UV-Vis absorption spectrum and quenching in the fluorescence profile with a detection limit of 20 nM for OA in aqueous medium. In cyclic voltammetry, a shift was observed in the cathodic peak (-0.532 V to -0.618 V) as well as in the anodic peak (-0.815 V to -0.847 V) with the addition of okadaic acid. To study the quick binding of the composite with OA, a time response experiment was performed. Also, the developed sensor retains its sensing ability in the pH range of 5-9 and in high salt conditions. Our developed composite can be used for the detection of OA in real applications.

Journal of Materials Chemistry B: Materials for Biology and Medicine published new progress about Bioassay. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, Application of C6H8N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Lei; Morey, Amit; Bilgili, Sacit F.; McKee, Shelly R.; Garner, Laura J. published the artcile< Effectiveness of several antimicrobials and the effect of contact time in reducing Salmonella and Campylobacter on poultry drumsticks>, Quality Control of 123-03-5, the main research area is poultry drumstick Salmonella Campylobacter antimicrobial effect contact time.

Salmonella and Campylobacter are the two pathogens commonly associated with raw poultry meat, as poultry products are frequent vehicles of these bacteria. The objective of the current research was to determine the optimal contact time for 6 antimicrobial treatments, including water, 0.003% chlorine, 0.07% peracetic acid (PAA), 0.1% PAA, 0.35% cetylpyridinium chloride (CPC), and 0.6% CPC. Drumsticks (n = 192) were inoculated with Salmonella Typhimurium and Campylobacter jejuni, and allowing some bacterial attachment time, drumsticks were treated with the 6 antimicrobials mentioned above for 10, 20, and 30 s contact time. The recoveries of Salmonella Typhimurium and Campylobacter jejuni were determined after plating. The results of this study indicated the antimicrobial effect on reducing Salmonella and Campylobacter on poultry parts, and the impact of contact time on the efficacy. This could be a guide for industrial application of which antimicrobial to use and how to control the contact time.

Journal of Applied Poultry Research published new progress about Campylobacter jejuni Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Li, Lingxiao; Liu, Xueyan; Xu, Jianhong; Kan, Chengyou published the artcile< Microfluidic preparation of thiol-containing monodisperse polymer microspheres and their adsorption of Pb2+ in water>, SDS of cas: 2127-03-9, the main research area is microfluidic thiol group micronscale polymer microsphere lead ion adsorption.

A novel polymerizable monomer containing carbon-carbon double bond and disulfide bond, 2-(((2-(pyridin-2-yldisulfanyl)ethoxy)carbonyl)amino) Et acrylate (PDSECAE), was first designed and synthesized, and then used to prepare thiol-containing monodisperse polymer microspheres with different sizes from 20 μm to 500 μm by means of microfluidic technique, UV-induced polymerization and dithiothreitol reduction in sequence. The chem. structures of PDSECAE and the microspheres were confirmed by NMR, FTIR and RAMAN, and the thiol content was determined by UV-vis spectrophotometer. Having the largest sp. surface area, microspheres of 20.0 μm in diameter were utilized in adsorption of Pb2+ in water, and the maximum adsorption capacity reached 104.4 mg/g at pH 6.0 and 25 °C. After the adsorbed Pb2+ was removed by EDTA disodium salt, the regenerated thiol-containing microspheres could be reused and their adsorption capacity still remained 85% of its initial value after 5 recycles. Efficient adsorption performance and easy reusability make the thiol-containing polymer microspheres show promising applications to adsorption of heavy metal ions.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Adsorbents. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, SDS of cas: 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Tao; Luan, Yu-Xin; Lam, Nelson Y. S.; Li, Jiang-Fei; Li, Yue; Ye, Mengchun; Yu, Jin-Quan published the artcile< A directive Ni catalyst overrides conventional site selectivity in pyridine C-H alkenylation>, Safety of 3-(Methoxycarbonyl)pyridine, the main research area is alkenylated pyridine preparation; alkyne pyridine alkenylation heterocyclic carbene ligated nickel aluminum catalyst.

Herein, application of bifunctional N-heterocyclic carbene-ligated Ni-Al catalyst in C3-H alkenylation of pyridines was described. This method overrode the intrinsic C2 and/or C4 selectivity, and provided a series of C3-alkenylated pyridines such as I in 43-99% yields and up to 98:2 C3 selectivity. This method not only allowed a variety of pyridine and heteroarene substrates to be used as the limiting reagent, but was also effective for the late-stage C3 alkenylation of diverse complex pyridine motifs in bioactive mols.

Nature Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Safety of 3-(Methoxycarbonyl)pyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Decker, Katherine T.; Gao, Ye; Rychel, Kevin; Al Bulushi, Tahani; Chauhan, Siddharth M.; Kim, Donghyuk; Cho, Byung-Kwan; Palsson, Bernhard O. published the artcile< proChIPdb: a chromatin immunoprecipitation database for prokaryotic organisms>, HPLC of Formula: 366-18-7, the main research area is Escherichia proChIPdb prokaryotic organisms transcription factors nucleotides regulons.

The transcriptional regulatory network in prokaryotes controls global gene expression mostly through transcription factors (TFs), which are DNA-binding proteins. Chromatin immunoprecipitation (ChIP) with DNA sequencing methods can identify TF binding sites across the genome, providing a bottom-up, mechanistic understanding of how gene expression is regulated. ChIP provides indispensable evidence toward the goal of acquiring a comprehensive understanding of cellular adaptation and regulation, including condition-specificity. ChIP-derived data’s importance and labor-intensiveness motivate its broad dissemination and reuse, which is currently an unmet need in the prokaryotic domain. To fill this gap, we present proChIPdb, an information-rich, interactive web database. This website collects public ChIP-seq/-exo data across several prokaryotes and presents them in dashboards that include curated binding sites, nucleotide-resolution genome viewers, and summary plots such as motif enrichment sequence logos. Users can search for TFs of interest or their target genes, download all data, dashboards, and visuals, and follow external links to understand regulons through biol. databases and the literature. This initial release of proChIPdb covers diverse organisms, including most major TFs of Escherichia coli, and can be expanded to support regulon discovery across the prokaryotic domain.

Nucleic Acids Research published new progress about Chromatin. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pan, Xiaolin; Wang, Hao; Li, Cuiyu; Zhang, John Z. H.; Ji, Changge published the artcile< MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network>, Related Products of 350-03-8, the main research area is web server MolGpka small mol pKa prediction neural network.

PKa is an important property in the lead optimization process since the charge state of a mol. in physiol. pH plays a critical role in its biol. activity, solubility, membrane permeability, metabolism, and toxicity. Accurate and fast estimation of small mol. pKa is vital during the drug discovery process. We present MolGpKa, a web server for pKa prediction using a graph-convolutional neural network model. The model works by learning pKa related chem. patterns automatically and building reliable predictors with learned features. ACD/pKa data for 1.6 million compounds from the ChEMBL database was used for model training. We found that the performance of the model is better than machine learning models built with human-engineered fingerprints. Detailed anal. shows that the substitution effect on pKa is well learned by the model. MolGpKa is a handy tool for the rapid estimation of pKa during the ligand design process. The MolGpKa server is freely available to researchers and can be accessed at https://xundrug.cn/molgpka.

Journal of Chemical Information and Modeling published new progress about Aliphatic acids Role: PRP (Properties), THU (Therapeutic Use), BIOL (Biological Study), USES (Uses). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Related Products of 350-03-8.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mentana, Annalisa; Camele, Ippolito; Mang, Stefania M.; De Benedetto, Giuseppe E.; Frisullo, Salvatore; Centonze, Diego published the artcile< Volatolomics approach by HS-SPME-GC-MS and multivariate analysis to discriminate olive tree varieties infected by Xylella fastidiosa>, Synthetic Route of 93-60-7, the main research area is HSSPME GCMS multivariate analysis volatile olive tree Xylella infection; HS-SPME-GC-MS; Xylella fastidiosa; multivariate analysis; olive tree; volatiles.

Xylella fastidiosa (Xf) is a pathogenic bacterium that causes diseases in olive trees. Therefore, anal. methods for both the characterization of the host/pathogen interaction and infection monitoring are needed. Volatile organic compounds (VOCs) are emitted by plants relate to their physiol. state, therefore VOCs monitoring can assist in detecting stress or infection states before visible signs are present. In this work, the headspace-solid phase microextraction-gaschromatog.-mass spectrometry (HS-SPME-GC-MS) technique was used for the first time to highlight VOCs differences between healthy and Xf-infected olive trees. VOCs from olive tree twig samples were extracted and analyzed by HS-SPME-GC-MS, and hence identified by comparing the exptl. linear retention indexes with the reference values and by MS data obtained from NIST library. Data were processed by principal component anal. (PCA) and anal. of variance (ANOVA). The HS-SPME step was optimized in terms of adsorbent phase and extraction time. HS-SPME-GC-MS technique was applied to the extraction and anal. of VOCs of healthy and Xf-infected olive trees. More than 100 compounds were identified and the differences between samples were evidenced by the multivariate anal. approach. The results showed the marked presence of Me esters in Xf-infected samples, suggesting their probable involvement in the mechanism of diffusible signal factor. The proposed approach represents an easy and solvent-free method to evaluate the presence of Xf in olive trees, and to evidence volatiles produced by host/pathogen interactions that could be involved in the defensive mechanism of the olive tree and/or in the infective action of Xf.

Phytochemical Analysis published new progress about Acids Role: ANT (Analyte), ANST (Analytical Study). 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Synthetic Route of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem