DEVELOPMENT OF A SCREENING APPROACH TO DETECT THYROID DISRUPTING CHEMICALS THAT INHIBIT THE HUMAN SODIUM IODIDE SYMPORTER (NIS)
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Data pertaining to a NIS-expressing cell line, hNIS-HEK293T-EPA, and its screening capabilities for determining inhibitors of NIS-mediated iodide uptake. This dataset is associated with the following publication: Hallinger, D., A. Murr, A. Buckalew, S. Simmons, T. Stoker, and S. Laws. Development of a Screening Approach to Detect Thyroid Disrupting Chemicals that Inhibit the Human Sodium/Iodide Symporter (NIS). TOXICOLOGY IN VITRO. Elsevier Science Ltd, New York, NY, USA, 66-78, (2017).
Li et al nitrification inhibition review
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Li et al nitrification inhibition review. This dataset is associated with the following publication: Kapoor, V., X. Li, C. Impellitteri , K. Chandran, and J. Santodomingo. Use of Functional Gene Expression and Respirometry to Study Wastewater Nitrification Activity after Exposure to Low Doses of Copper. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH. Ecomed Verlagsgesellschaft AG, Landsberg, GERMANY, 23(7): 6443-6450, (2016).
Inhibitory effect of cyanide on wastewater nitrification determined using SOUR and RNA-based gene-specific assays
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SOUR and qPCR data. This dataset is associated with the following publication: Kapoor, V., M. Elk, and X. Li. Inhibitory effect of cyanide on wastewater nitrification determined using SOUR and RNA-based gene-specific assays. Letters in Applied Microbiology. Blackwell Publishing, Malden, MA, USA, 63(2): 155-161, (2016).
Secondary screening method for sodium-iodide symporter inhibition utilizing FRTL-5 cells data set
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Data pertaining to a NIS-expressing cell line, FRTL-5 and it's screening capabilities for confirming inhibitors of NIS-mediated iodide uptake. This dataset is associated with the following publication: Buckalew, A., J. Wang, A. Murr, C. Deisenroth, W. Stewart, T. Stoker, and S. Laws. Evaluation of potential sodium-iodide symporter (NIS) inhibitors using a secondary Fischer rat thyroid follicular cell (FRTL-5) radioactive iodide uptake (RAIU) assay. Archives of Toxicology. Springer, New York, NY, USA, 94(3): 873-885, (2020).
Characterization of Aerosol Nitro Aromatic Compounds Validation of an Experimental Method
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The analytical capabilities associated with the use of silylation reactions have been extended to a new class of organic molecules, nitroaromatic compounds (NACs). These compounds are a possible contributor to urban particulate matter of secondary origin which would make them important analytes due to their (1) detrimental health effects, (2) potential to affect aerosol optical properties, (3) and usefulness for identifying PM2.5 from biomass burning. The technique is based on derivatization of the parent NACs using N,O-bis-(trimethylsilyl)-trifluoro acetamide, one of the most prevalent derivatization reagent for analyzing hydroxylated molecules, followed by GC-MS using electron ionization (EI) and methane chemical ionization (CI). This method is evaluated for 32 NACs including nitrophenols, methyl-/methoxy-nitrophenols, nitrobenzoic acids, and nitrobenzyl alcohols. EI spectra were characterized by a high abundance of ions corresponding to [M+.], or [M+ - 15]. CI spectra exhibited high abundance for [M+ + 1], [M+ - 15], and [M+ + 29] ions. Both EI and CI spectra exhibit ions specific to nitro group(s) for [M+. - 31], [M+. - 45], and [M+. - 60]. The strong abundance observed for [M+.] (EI), [M+ - 15] (EI/CI), or [M+ + 1] (CI) ions is consistent with the high charge stabilizing ability associated with aromatic compounds. The combination of EI and CI ionization offers strong capabilities for detection and identification of NACs. Spectra associated with NACs, containing hydrogen, carbon, oxygen, and nitrogen atoms only, as silylated derivatives show fragment/adduct ions at either (a) odd or (b) even masses that indicate either (a) odd or (b) even number of nitro groups, respectively. Mass spectra associated with silylated NACs exhibited three distinct regions where characteristic fragmentation with a specific pattern associated with: (1) -OH, and/or -COOH groups, (2) -NO2 group(s), and (3) benzene ring(s). These findings were confirmed with applications to chamber aerosol and ambient PM2.5. This dataset is associated with the following publication: Jaoui, M., M. Lewandowski, J. Offenberg, M. Colon, K. Docherty, and T. Kleindienst. Characterization of aerosol nitroaromatic compounds: Validation of an experimental method. Journal of Mass Spectrometry. John Wiley & Sons, Ltd., Indianapolis, IN, USA, 53(8): 680-692, (2018).
Compound 529925: Nifedipine M (dehydro-bis-carboxy, methyl ester)
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Chemical compound data from PubChem database. IUPAC Name: trimethyl 6-methyl-4-(2-nitrophenyl)pyridine-2,3,5-tricarboxylate. Molecular Formula: C18H16N2O8. Molecular Weight: 388.3. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.
Compound 526959: 3-Nitrophenyl-4-nitrophenylacetic acid, methyl ester
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Chemical compound data from PubChem database. IUPAC Name: methyl 2-(3-nitrophenyl)-2-(4-nitrophenyl)acetate. Molecular Formula: C15H12N2O6. Molecular Weight: 316.26. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.
Compound 526959: 3-Nitrophenyl-4-nitrophenylacetic acid, methyl ester
공공데이터포털
Chemical compound data from PubChem database. IUPAC Name: methyl 2-(3-nitrophenyl)-2-(4-nitrophenyl)acetate. Molecular Formula: C15H12N2O6. Molecular Weight: 316.26. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.