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500 mhz nmr instrument

Manufactured by Bruker
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The 500 MHz NMR instrument is a nuclear magnetic resonance spectrometer that operates at a frequency of 500 MHz. It is designed to analyze the structure and composition of chemical compounds by detecting the magnetic properties of atomic nuclei within the sample.

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Lab products found in correlation

5 mm triple resonance cryoprobe, by Bruker (3 mentions) 6120 single quadrupole ms, by Agilent Technologies (2 mentions) 1260 system, by Agilent Technologies (2 mentions) 6120 single quadrupole mass spectrometer, by Agilent Technologies (2 mentions) Lc 20ab pump, by Shimadzu (1 mentions) Cmb 20a controller, by Shimadzu (1 mentions) Sil 20a ht auto, by Shimadzu (1 mentions) Microsorb mv 100 5 c18, by Agilent Technologies (1 mentions) 220 ph meter, by Corning (1 mentions) Spd m20a, by Shimadzu (1 mentions) Agilent 6550 ifunnel q tof lc ms, by Agilent Technologies (1 mentions) Agilent 6460 triple quad lc ms, by Agilent Technologies (1 mentions) Q tof premier mass spectrometer, by Waters Corporation (1 mentions) J 815 spectropolarimeter, by Jasco (1 mentions) Iraffinity 1 ftir spectrophotometer, by Shimadzu (1 mentions) Impact hd, by Bruker (1 mentions) Hela cell, by American Type Culture Collection (1 mentions) Cary 100, by Agilent Technologies (1 mentions) Deuterated solvent, by Cambridge Isotopes (1 mentions) Carbonic anhydrase from bovine erythrocytes, by Merck Group (1 mentions)

12 protocols using 500 mhz nmr instrument

1

Synthesis and Characterization of Organic Compounds

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All the reagents and chemicals were obtained from commercial sources and used without further purification. Analytical thin layer chromatography (TLC) was performed with silica gel MERCK silica gel 60-F254 (0.5 mm) precoated glass plates. TLC plates were visualized by exposure to ultraviolet light. Column chromatography was performed using 100–200 mesh silica gel, and the eluent was as a mixture of ethyl acetate and n-hexane. 1H and 13C NMR spectra were recorded with a Bruker 500 MHz NMR instrument in CDCl3 or DMSO-d6 with tetramethylsilane (TMS) as an internal standard. Chemical shifts (δ) and coupling constants (J) are reported in parts per million (ppm), Hertz (Hz) respectively. The peak patterns are indicated as follows: s, singlet; d, doublet; t, triplet; q, quartet; m, multiplet; dd, doublet of doublet; dt, doublet of triplet; td, triplet of doublet; ddd, doublet of doublet of doublet. Melting points were determined using an electrothermal apparatus (Model IA9200) and are uncorrected. High-resolution mass spectra (HRMS) were recorded on LC-QTOF mass spectrometer.
Mani G.S., Donthiboina K., Shaik S.P., Shankaraiah N, & Kamal A. (2019). Iodine-mediated C–N and N–N bond formation: a facile one-pot synthetic approach to 1,2,3-triazoles under metal-free and azide-free conditions. RSC Advances, 9(46), 27021-27031.
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2

Fractionation and Analysis of Bioactive Compounds

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Extracts were fractionated on a Grace Reveleris X2 flash chromatography system equipped with UV and ELSD detectors. HPLC–DAD–MS analysis employed an Agilent 1260 LC coupled to an Agilent 6120 single quadrupole MS with 0.1% aqueous acetonitrile (A) and 0.1% aqueous formic acid (B) as mobile phases. Chromatographic profiles were monitored by scanning from 190 to 400 nm, and by positive and negative ESI (electrospray ionization)-MS from m/z 160–1500. NMR data were collected at 298 K on a Bruker 500-MHz NMR instrument equipped with a 5-mm triple resonance cryoprobe, with CD3OD as solvent and tetramethylsilane used as internal standard (TMS δH 0).
Perlatti B., Lan N., Xiang M., Earp C.E., Spraker J.E., Harvey C.J., Nichols C.B., Alspaugh J.A., Gloer J.B, & Bills G.F. (2021). Anti-cryptococcal activity of preussolides A and B, phosphoethanolamine-substituted 24-membered macrolides, and leptosin C from coprophilous isolates of Preussia typharum. Journal of Industrial Microbiology & Biotechnology, 48(9-10), kuab022.
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3

Flash Chromatography and LC-MS Analysis

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Extracts were fractionated on a Grace Reveleris X2 flash chromatography system with UV and ELSD detectors. HPLC-DAD-MS analysis employed an Agilent 1260 LC coupled to an Agilent 6120 single quadrupole MS with 0.1% aqueous formic acid (A), MeOH (B), and 0.1% formic acid in acetonitrile (C) as mobile phases. Chromatographic profiles were monitored by scanning from 190 to 400 nm with acquisition set at 330 nm and by positive and negative ESIMS at m/z 160–1500. NMR data were collected at 298 K on a Bruker 500 MHz NMR instrument equipped with a 5 mm triple resonance cryoprobe, with CDCl3 as solvent and tetramethylsilane used as internal standard (TMS δH 0).
Perlatti B., Harris G., Nichols C.B., Ekanayake D.I., Alspaugh J.A., Gloer J.B, & Bills G.F. (2020). Campafungins: Inhibitors of Candida albicans and Cryptococcus neoformans Hyphal Growth. Journal of natural products, 83(9), 2718-2726.
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4

Monitoring Oxidative Degradation of EE2 by HPLC-MS

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A Shimadzu HPLC system [Shimadzu CMB-20A controller, LC-20AB pump, DGU-20A3 degasser, SPD-M20A diode array detector, RF-20A XS fluorimeter detector, CTO-20A column oven, and SIL-20A HT auto sampler] was used for monitoring the oxidative degradation of EE2. Chromatographic separation of EE2 and its degradation intermediates was achieved using an Agilent Microsorb-MV 100-5 C18 (250 mm x 4.6 mm, 5 μm) column. HPLC analysis conditions were: 25-uL injection volume, 40 °C column temperature, and isocratic elution using 40% acetonitrile and 60% water at 1-mL min-1 flow rate. The HPLC diode array detector was set to a 200–450 nm range and the fluorimeter detector was set to λex = 220 and λem = 305 nm. The retention times of EE2 and its estrogenic degradation intermediates under these conditions were, respectively, 5.2, 3.0, and 3.4 minutes. ESI-MS analyses were performed using a Finnigan LCQ MS ion trap with ESI detection. A Bruker 500 MHz NMR instrument was used for 1H and 13C NMR studies (1D and 2D) at 300 K. The pH measurements were acquired with a Corning 220 pH meter calibrated with standard buffer solutions at pHs 4, 7, and 10.
Mills M.R., Arias-Salazar K., Baynes A., Shen L.Q., Churchley J., Beresford N., Gayathri C., Gil R.R., Kanda R., Jobling S, & Collins T.J. (2015). Removal of ecotoxicity of 17α-ethinylestradiol using TAML/peroxide water treatment. Scientific Reports, 5, 10511.
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5

NMR Analysis and HPLC-MS Characterization

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Nuclear magnetic resonance (NMR) data were collected on a Bruker 500 MHz NMR instrument equipped with a 5-mm triple resonance cryoprobe at 298 K, with CDCl3 as solvent and tetramethylsilane as internal standard (δH/δC = 0). Semipreparative high performance liquid chromatography (HPLC) separations and HPLC-MS (mass spectrometry) data were acquired on an Agilent 1260 system equipped with a diode array detector (DAD) and coupled to an Agilent 6120 single quadrupole mass spectrometer, with a binary solvent system consisting of 0.1% aqueous formic acid (solvent A) and 0.1% formic acid in acetonitrile (solvent B).
Perlatti B., Nichols C.B., Lan N., Wiemann P., Harvey C.J., Alspaugh J.A, & Bills G.F. (2020). Identification of the Antifungal Metabolite Chaetoglobosin P From Discosia rubi Using a Cryptococcus neoformans Inhibition Assay: Insights Into Mode of Action and Biosynthesis. Frontiers in Microbiology, 11, 1766.
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6

Analytical Techniques for Chemical Characterization

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Commercially available reagents and solvents were used without further processing. Thin-layer chromatography analysis was used to monitor reactions using thin-layer plates on silica gel 60 F254 (Merck KGaA, Darmstadt, Germany). Flash column chromatography was performed using silica gel 60 (230–400 mesh). 1H NMR and 13C NMR spectra were recorded in δ units relative to the deuterated solvent as an internal reference using a 500 MHz NMR instrument (Bruker, Billerica, MA, USA). Liquid chromatography-tandem mass spectrometry (Agilent 6460 Triple Quad LC/MS, Santa Clara, CA, USA) analysis was performed using electrospray ionization (ESI) mass spectrometer with photodiode array detector (PDA). High-resolution mass spectrometry spectra were obtained using a TOF LC/MS system (Agilent 6550 iFunnel Q-TOF LC/MS).
Lee E.S., Kim N., Kang J.H., Abdildinova A., Lee S.H., Lee M.H., Kang N.S., Koo T.S., Kim S.Y, & Gong Y.D. (2022). Design and Synthesis of a Novel 4-aryl-N-(2-alkoxythieno [2,3-b]pyrazine-3-yl)-4-arylpiperazine-1-carboxamide DGG200064 Showed Therapeutic Effect on Colon Cancer through G2/M Arrest. Pharmaceuticals, 15(5), 502.
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7

Spectroscopic Characterization of Compounds

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Optical rotations were measured on a Rudolph Research Autopol III automatic polarimeter. UV data were obtained using a Varian Cary III UV spectropho-tometer. ECD data were collected with a Jasco model J-815 spectropolarimeter. NMR data were collected on a Bruker 500 MHz NMR instrument equipped with a 5 mm triple resonance cryoprobe at 298 K, with CD3OD as solvent and tetramethylsilane as internal standard (δH/δC = 0). HRESIMS data were recorded using a Waters Q-TOF Premier mass spectrometer. Semipreparative HPLC separations and HPLC-MS data were acquired on an Agilent 1260 system equipped with a diode array detector (DAD) and coupled to an Agilent 6120 single quadrupole mass spectrometer (MS), with a binary solvent system consisting of 0.1% aqueous formic acid (solvent A) and 0.1% formic acid in MeCN (solvent B).
Perlatti B., Lan N., Earp C.E., AghaAmiri S., Vargas S.H., Azhdarinia A., Bills G.F, & Gloer J.B. (2020). Arenicolins: C-Glycosylated Depsides from Penicillium arenicola. Journal of natural products, 83(3), 668-674.
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8

Fractionation and Analysis of Bioactive Compounds

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Extracts were fractionated on a Grace Reveleris X2 flash chromatography system equipped with UV and ELSD detectors. HPLC–DAD–MS analysis employed an Agilent 1260 LC coupled to an Agilent 6120 single quadrupole MS with 0.1% aqueous acetonitrile (A) and 0.1% aqueous formic acid (B) as mobile phases. Chromatographic profiles were monitored by scanning from 190 to 400 nm, and by positive and negative ESI (electrospray ionization)-MS from m/z 160–1500. NMR data were collected at 298 K on a Bruker 500-MHz NMR instrument equipped with a 5-mm triple resonance cryoprobe, with CD3OD as solvent and tetramethylsilane used as internal standard (TMS δH 0).
Perlatti B., Lan N., Xiang M., Earp C.E., Spraker J.E., Harvey C.J., Nichols C.B., Alspaugh J.A., Gloer J.B, & Bills G.F. (2021). Anti-cryptococcal activity of preussolides A and B, phosphoethanolamine-substituted 24-membered macrolides, and leptosin C from coprophilous isolates of Preussia typharum. Journal of Industrial Microbiology & Biotechnology, 48(9-10), kuab022.
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9

Characterization of Orange Pigment PNS-1-OR

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The high-resolution mass spectrum (HRMS) of the pure orange pigment labeled as PNS-1-OR was recorded on a Bruker IMPACT HD. FTIR spectrum of pigment was recorded on a Shimadzu-IRAffinity-1 FTIR spectrophotometer in the frequency range 4000−400 cm−1. Pure compound was subjected to 1H (500 MHz) and 13C (125 MHz) NMR in Bruker 500 MHz NMR instrument using CDCl3 as a solvent for dissolving sample and TMS as internal standard. Chemical shifts (δ-values) are given in parts per million (ppm), and the coupling constants (J-values) are given in hertz (Hz).
Lagashetti A.C., Singh S.K., Dufossé L., Srivastava P, & Singh P.N. (2022). Antioxidant, Antibacterial and Dyeing Potential of Crude Pigment Extract of Gonatophragmium triuniae and Its Chemical Characterization. Molecules, 27(2), 393.
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10

Sulfenyl TCM-1 Reaction Monitoring

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SulfenylTCM-1 (0.0200 M) and BnSH (0.100 M) solutions were prepared by adding SulfenylTCM-1 (3.90 mg) and BnSH (12.4 mg) in DMSO-d6/D2O (9:1, 1.00 mL), respectively. Then SulfenylTCM-1 (0.0200 M, 0.500 mL) was added to BnSH (0.100 M, 0.500 mL) to reach the concentrations of 0.0100 M of SulfenylTCM-1 and 0.0500 M of BnSH, respectively. The reaction process was then monitored by using a Bruker 500 MHz NMR instrument.
Zhao Y., Steiger A.K, & Pluth M.D. (2019). Cyclic Sulfenyl Thiocarbamates Release Carbonyl Sulfide (COS) and Hydrogen Sulfide (H2S) Independently in Thiol-Promoted Pathways. Journal of the American Chemical Society, 141(34), 13610-13618.
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