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Avance 3

Manufactured by Bruker
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The Avance III is a high-performance NMR spectrometer by Bruker. It is designed for advanced nuclear magnetic resonance applications, providing reliable and accurate data acquisition and analysis capabilities.

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Lab products found in correlation

Topspin 3, by Bruker (31 mentions) Topspin, by Bruker (23 mentions) Avance 2, by Bruker (19 mentions) Topspin 4, by Bruker (16 mentions) Nicolet 6700, by Thermo Fisher Scientific (13 mentions) Pe 2400 chns analyzer, by PerkinElmer (10 mentions) Avance 3 hd, by Bruker (9 mentions) Silica gel 60, by Merck Group (9 mentions) Paravision 6, by Bruker (7 mentions) Silica gel 60 f254, by Merck Group (6 mentions) Topspin software, by Bruker (6 mentions) Nicolet is50, by Thermo Fisher Scientific (6 mentions) Jem 2100, by JEOL (5 mentions) Nmrpipe, by Bruker (5 mentions) Avance 400, by Bruker (5 mentions) Tripletof 5600, by AB Sciex (5 mentions) Tlc plastic sheets silica gel 60 f254, by Merck Group (5 mentions) Mercury 300, by Bruker (5 mentions) Topspin 2, by Bruker (5 mentions) Mestrenova, by Mestrelab Research (4 mentions)

981 protocols using avance 3

1

NMR, IR, and Elemental Analysis Protocols

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1H NMR spectra were recorded in CD3OD or CDCl3 on the following spectrometers: Varian Gemini 2000BB (200 MHz) and Bruker Avance III (600 MHz) with TMS as internal standard. 13C NMR spectra were recorder for CD3OD or CDCl3 solutions on the Bruker Avance III at 151.0 MHz. 31P NMR spectra were performed on the Varian Gemini 2000BB at 81.0 MHz or on Bruker Avance III at 243.0 MHz. IR spectral data were measured on a Bruker Alpha-T FT-IR spectrometer. Melting points were determined on a Boetius apparatus. Elemental analyses were performed by the Microanalytical Laboratory of this Faculty on a Perkin Elmer PE 2400 CHNS analyzer and their results were found to be in good agreement (± 0.3%) with the calculated values.
The following absorbents were used: column chromatography, Merck silica gel 60 (70–230 mesh); analytical TLC, Merck TLC plastic sheets silica gel 60 F254. TLC plates were developed in chloroform–methanol solvent systems. Visualization of spots was effected with iodine vapors. All solvents were purified by methods described in the literature.
Diethyl 1,2-epoxyethane- and 2,3-epoxypropanephosphonates 14 [36 ] and 15 [15 (link)] as well as the protected aldehyde 16 [20 ] and diethyl 3-amino-2-hydroxypropanephosphonate 12 [18 (link)] were prepared according to the literature procedures.
Głowacka I.E., Piotrowska D.G., Andrei G., Schols D., Snoeck R, & Wróblewski A.E. (2019). Acyclic nucleoside phosphonates containing the amide bond: hydroxy derivatives. Monatshefte Fur Chemie, 150(4), 733-745.
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2

Characterization of Organic Compounds

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1H NMR spectra were recorded in CD3OD, CDCl3, or DMSO-d6 on the following spectrometers: Varian Gemini 2000BB (200 MHz) and Bruker Avance III (600 MHz) with TMS as internal standard. 13C NMR spectra were recorder for CD3OD, CDCl3, or DMSO-d6 solution on the Bruker Avance III at 151.0 MHz. 31P NMR spectra were performed on the Varian Gemini 2000BB at 81.0 MHz or on Bruker Avance III at 243.0 MHz. IR spectral data were measured on a Bruker Alpha-T FT-IR spectrometer. Melting points were determined on a Boetius apparatus. Elemental analyses were performed by Microanalytical Laboratory of this Faculty on Perkin Elmer PE 2400 CHNS analyzer and their results were found to be in good agreement (±0.3%) with the calculated values.
The following absorbents were used: column chromatography, Merck silica gel 60 (70–230 mesh); analytical TLC, Merck TLC plastic sheets silica gel 60 F254. TLC plates were developed in chloroform–methanol solvent systems. Visualization of spots was effected with iodine vapors. All solvents were purified by methods described in the literature.
Głowacka I.E., Piotrowska D.G., Andrei G., Schols D., Snoeck R, & Wróblewski A.E. (2016). Acyclic nucleoside phosphonates containing the amide bond. Monatshefte Fur Chemie, 147(12), 2163-2177.
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3

Spectroscopic Characterization of Organic Compounds

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1H NMR were taken in CDCl3 or CD3OD on the following spectrometers: Varian Mercury-300 and Bruker Avance III (600 MHz) with TMS as an internal standard; chemical shifts δ in ppm with respect to TMS; coupling constants J in Hz. 13C NMR spectra were recorded for CDCl3,CD3OD or DMSO-d6 solutions on a Varian Mercury-300 and Bruker Avance III (600 MHz) spectrometer at 75.5 and 150.5 MHz, respectively. 31P NMR spectra were taken in CDCl3 or CD3OD on Varian Mercury-300 and Bruker Avance III at 121.5 and 242 MHz.
IR spectral data were measured on an Infinity MI-60 FT-IR spectrometer. Melting points were determined on a Boetius apparatus and are uncorrected. Elemental analyses were performed by the Microanalytical Laboratory of this Faculty on a Perkin Elmer PE 2400 CHNS analyzer. Polarimetric measurements were conducted on an Optical Activity PolAAr 3001 apparatus.
The following adsorbents were used: column chromatography, Merck silica gel 60 (70–230 mesh); analytical TLC, Merck TLC plastic sheets silica gel 60 F254. TLC plates were developed in chloroformmethanol solvent systems. Visualization of the spots was effected with iodine vapours. All solvents were purified by methods described in the literature.
All microwave irradiation experiments were carried out in a microwave reactor Plazmartonika RM 800. The reaction carried out in 50 mL-glass vials.
Głowacka I.E., Balzarini J., Andrei G., Snoeck R., Schols D, & Piotrowska D.G. (2014). Design, synthesis, antiviral and cytostatic activity of ω-(1H-1,2,3-triazol-1-yl)(polyhydroxy)alkylphosphonates as acyclic nucleotide analogues. Bioorganic & Medicinal Chemistry, 22(14), 3629-3641.
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4

NMR and Elemental Analysis Methods

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1H NMR spectra were taken in CDCl3 on the following spectrometers: Varian Mercury-300 and Bruker Avance III (600 MHz) with TMS as internal standard. 13C NMR spectra were recorded for CDCl3 solution on the Varian Mercur-300 machine at 75.5 MHz, while for DMSO solution on Bruker Avance III at 151.0 MHz. 31P NMR spectra were performed in CDCl3 solution on the Varian Mercury-300 at 121.5 MHz or on Bruker Avance III at 243.0 MHz. IR spectra were measured on an Infinity MI-60 FT-IR spectrometer. Melting points were determined on Boetius apparatus and are uncorrected. Elemental analyses were performed by the Microanalytical Laboratory of this Faculty on Perkin–Elmer PE 2400 CHNS analyzer. The following adsorbents were used: column chromatography, Merck silica gel 60 (70–230 mesh); analytical TLC, Merck TLC plastic sheets silica gel 60 F254.
Kokosza K., Andrei G., Schols D., Snoeck R, & Piotrowska D.G. (2015). Design, antiviral and cytostatic properties of isoxazolidine-containing amonafide analogues. Bioorganic & Medicinal Chemistry, 23(13), 3135-3146.
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5

Elucidation of Sorangibactin Structures

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For structure elucidation
of sorangibactins A1 and A2, all 1H-, 13C-,
and 2D-NMR spectra were acquired in methanol-d4 on a Bruker Avance III (Ascend) 700 MHz spectrometer equipped
with a 5 mm TCI cryoprobe using standard pulse programs. Observed
chemical shifts (δ) are listed in ppm, coupling constants (J) in Hz, and all spectra were calibrated with respective
methanol signals at δ(1H) = 3.31 ppm and δ(13C) = 49.2 ppm. Sorangibactin B was measured using the same
parameters on a Bruker Avance III (Ultrashield) 500 MHz spectrometer.
Gao Y., Walt C., Bader C.D, & Müller R. (2023). Genome-Guided Discovery of the Myxobacterial Thiolactone-Containing Sorangibactins. ACS Chemical Biology, 18(4), 924-932.
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6

NMR Characterization of Arylnaphthalenes and Dibenzylbutane

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The 1H-NMR spectra of justicidinoside B, justicidinoside C, procumbenoside B, procumbenoside H, justicidin B, chinensinaphthol methyl ether, and neojusticin B were recorded using Bruker Avance III 600 MHz instrument. These arylnaphthalenes were dissolved in CD3OD.
The 1H-NMR, 13C-NMR, 1H-1H COSY, HSQC, and HMBC spectra of 5-methoxy-4,4′-di-O-methylsecolariciresinol-9′-monoacetate were recorded using Bruker Avance III 800 MHz instrument. This dibenzylbutane was dissolved in CDCl3.
Liu B., Yang Y., Liu H., Xie Z., Li Q., Deng M., Li F., Peng J, & Wu H. (2018). Screening for cytotoxic chemical constituents from Justicia procumbens by HPLC–DAD–ESI–MS and NMR. Chemistry Central Journal, 12, 6.
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7

Characterization of AlkL Protein via NMR

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Solution NMR spectra were recorded at ω0H/2π = 1 GHz and 600 MHz on Bruker Avance III instruments equipped with cryogenic probes using 2H,13C,15N-labeled AlkL. Solid-state NMR spectra were recorded at ω0H/2π = 1 GHz and 800 MHz, on Bruker Avance III instruments equipped with 0.7- and 1.3-mm HCN probes spinning at MAS rates of 111.111 kHz (13C,15N-labeled AlkL) or 60 kHz (2H,13C,15N-labeled AlkL). Spectrometer settings, as well as acquisition parameters specific for each 3D and 4D spectrum, and for site-specific 15N R1 (26 (link)) and (R1ρ) (36 (link)) rates, are discussed in SI Appendix, Supplementary Text and summarized in SI Appendix, Table S1. The spectral quality underlying resonance assignment datasets (37 (link), 38 (link)) is demonstrated in the pair of CA-N-H correlation spectra shown in SI Appendix, Fig. S13 and the assignments are discussed in detail in a separate manuscript (39 (link)). CSPs induced by the presence of carvone or octane were obtained from (H)CANH and (H)CONH spectra, and were calculated as the RMSD of 1H, 13CA, and 15N shifts, with relative scaling of 1, 0.3, and 0.15, respectively (40 ).
Schubeis T., Le Marchand T., Daday C., Kopec W., Tekwani Movellan K., Stanek J., Schwarzer T.S., Castiglione K., de Groot B.L., Pintacuda G, & Andreas L.B. (2020). A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL. Proceedings of the National Academy of Sciences of the United States of America, 117(35), 21014-21021.
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8

NMR Spectroscopy: Detailed Methodology

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NMR spectra were recorded on a Bruker Avance III instrument (Billerica, MA, USA). The potency of the instrument was 400 MHz. The chemical shifts were expressed in ppm from TMS (s, 0.00 ppm) as internal reference standard for the spectra recorded in CDCl3, whereas the internal solvent signal of CD2HOD (m5, δH 3.31 ppm; m7, δC 49.00 ppm) was the reference for the spectra recorded in CD3OD and the HDO signal (s, 4.79 ppm) was set as reference for the spectra recorded in D2O. All the experiments were conducted at 298 K.
The 2D NMR spectra were performed on the same Bruker Avance III 400 MHz instrument operating at 9.4 T and 298 K. The Heteronuclear Single Quantum Coherence (HSQC) experiments were acquired with a spectral width of 15 ppm for the proton nucleus and 250 ppm for the carbon nucleus. The average direct coupling (1JC-H) was set to 145 Hz. The recycle delay was 2.0 s and the data matrix set was 4 K × 256 points. The Heteronuclear Multiple Bond Correlation (HMBC) experiments were acquired with the same spectral width applied in the HSQC experiments and by using two different values of long-range coupling constants of 8 Hz with a recycle delay of 2.0 s and a data matrix of 4 K × 256 points. NMR spectra were analyzed by ACD NMR manager software ver. 12 (ACD/Labs, Toronto, ON, Canada).
Frezza C., Venditti A., De Vita D., Sciubba F., Tomai P., Franceschin M., Di Cecco M., Ciaschetti G., Di Sotto A., Stringaro A., Colone M., Gentili A., Serafini M, & Bianco A. (2021). Phytochemical Analysis and Biological Activities of the Ethanolic Extract of Daphne sericea Vahl Flowering Aerial Parts Collected in Central Italy. Biomolecules, 11(3), 379.
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9

Sodium Styrene Sulfonate Polymer Characterization

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All the reagents were provided
by the Sigma-Aldrich chemical company and received unless otherwise
specified. Sodium styrene sulfonate (NaSS) was recrystallized in an
ethanol/water mixture (9/1, v/v).14 (link)1H NMR spectra were recorded on a Bruker Avance III (400 MHz)
or a Bruker Avance III (500 MHz) spectrometer in D2O at
300 K. The H2O signal (δ4.79 ppm) is used as the
internal reference. The average molecular weight (Mn) of PolyNaSS was obtained by aqueous size exclusion
chromatography (SEC), as previously described.16 (link) Briefly, the mobile phase consisted of 0.1 mL min–1sodium nitrate aqueous solution. Analyses were carried out at 40
°C with a flow rate of 0.5 mL min–1. Calibration
was realized with a monodisperse PolyNaSS standard (MW 4800–75,600),
purchased from Sigma-Aldrich.
Falentin-Daudré C., Aitouakli M., Baumann J.S., Bouchemal N., Humblot V., Migonney V, & Spadavecchia J. (2020). Thiol-Poly(Sodium Styrene Sulfonate) (PolyNaSS-SH) Gold Complexes: From a Chemical Design to a One-Step Synthesis of Hybrid Gold Nanoparticles and Their Interaction with Human Proteins. ACS Omega, 5(14), 8137-8145.
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10

NMR Spectroscopy Protocol for Solvent Referencing

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NMR spectra were measured on Bruker Avance II 300 MHz, Bruker Avance III 500 MHz and Bruker Avance III 600 MHz spectrometers (600 MHz with cryo probe) in CD3OD and CD3CN. Spectra were referenced relative to the residual solvent peak (CD3OD: δH = 3.30, δC = 49.0 ppm; CD3CN: δH = 1.94, δC = 1.3; 118.3 ppm).
Trottmann F., Ishida K., Ishida-Ito M., Kries H., Groll M, & Hertweck C. (2022). Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nature Chemistry, 14(8), 884-890.
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