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Avance spectrometer

Manufactured by Bruker
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The Avance spectrometer is an analytical instrument designed for nuclear magnetic resonance (NMR) spectroscopy. It is capable of generating and detecting radio frequency signals to analyze the structure and properties of chemical compounds. The Avance spectrometer provides high-resolution data for a variety of NMR applications.

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Close spelling variants of this product

Avance spectrometers 300 MHz Avance 500 or 600 spectrometers Avance I 400 MHz spectrometers Avance II 400 spectrometer Avance III 500 MHz spectrometer Avance DRX 500 MHz NMR spectrometer Avance III 850 WB spectrometer Avance Ultrashield spectrometer AVANCE III HD 600 MHz spectrometer Avance DRx 600 600-MHz spectrometer

419 protocols using avance spectrometer

1

NMR Analysis of Glucan Polysaccharides

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For determination of sequence and anomeric configuration by NMR, glucan polysaccharides and oligosaccharides investigated (500 μg of each) were taken up in D2O 99.9% (Apollo Scientific, Stockport, UK) exchanged by lyophilisation, then redissolved in 0.3 ml D2O and transferred to a 5 mm small-volume NMR tube (Shigemi, Tokyo, Japan). NMR spectra were recorded at 600 MHz, 30 °C on either a Varian I nova or a Bruker Avance spectrometer, or at 700 MHz using a Bruker Avance spectrometer equipped with cryoprobe. 1D and 2D pulse sequences were supplied by the equipment manufacturer. Chemical shifts are given relative to acetone at 2.213 ppm (1H) and 33.0 ppm (13C).
Palma A.S., Liu Y., Zhang H., Zhang Y., McCleary B.V., Yu G., Huang Q., Guidolin L.S., Ciocchini A.E., Torosantucci A., Wang D., Carvalho A.L., Fontes C.M., Mulloy B., Childs R.A., Feizi T, & Chai W. (2015). Unravelling Glucan Recognition Systems by Glycome Microarrays Using the Designer Approach and Mass Spectrometry. Molecular & Cellular Proteomics : MCP, 14(4), 974-988.
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2

Solid-State NMR Analysis of Humic Acids

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A 300 MHz Bruker Avance spectrometer, equipped with a 4 mm wide-bore MAS probe, was used to obtain solid-state HA spectra. Each fine-powdered sample (5 mg) was packed into a 4 mm zirconium rotor, provided with a Kel-F cap, and spun at a rate of 13,000 ± 1 Hz. The 13C NMR spectra were acquired through Cross-Polarization Magic-Angle-Spinning (CPMAS) technique by using 2 s of recycle delay, 1 ms of contact time, 30 ms of acquisition time and 4000 scans. Liquid-state NMR spectra of HA were performed on a 400-MHz Bruker Avance spectrometer, equipped with a 5-mm Bruker BBI (Broad Band Inverse) probe. Each sample (5.0 mg mL−1) was dissolved with deuterated water and placed into a 5.0-mm quartz tube. 1H NMR spectra were acquired with 2 s of thermal equilibrium delay, 90° pulse length ranging within 8.5 and 9.5 µs, 32,768 time-domain points, and 64 transients.
Verrillo M., Parisi M., Savy D., Caiazzo G., Di Caprio R., Luciano M.A., Cacciapuoti S., Fabbrocini G, & Piccolo A. (2022). Antiflammatory activity and potential dermatological applications of characterized humic acids from a lignite and a green compost. Scientific Reports, 12, 2152.
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3

Characterization of Organic Compounds

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Chemistry experimental: All reagents were purchased from commercially available sources without further purification. Flash chromatography was performed using 60 Å mesh standard grade silica gel from Sorbetch. NMR solvents were obtained from Cambridge Isotope Labs and used as is. All 1H NMR (400 MHz) were recorded at 25°C on a Bruker Avance spectrometer. All 13C NMR (101 and 201 MHz) spectra were also recorded at 25°C on Bruker Avance spectrometers. Chemical shifts (δ) are given in parts per million (ppm) relative to the respective NMR solvent. All high-resolution mass spectrometry measurements were made in the Mass Spectrometry and Proteomics Facility at the University of Notre Dame. Infrared spectra were obtained on a FT/IR-4100 spectrophotometer (νmax in cm−1). UV absorbance was recorded on a Genesys 10 scanning UV/visible spectrophotometer (λmax in nm).
Zeiler M.J., Melander R.J, & Melander C. (2020). Second-Generation Meridianin Analogues Inhibit the Formation of Mycobacterium smegmatis Biofilms and Sensitize Polymyxin-Resistant Gram-Negative Bacteria to Colistin. ChemMedChem, 15(17), 1672-1679.
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4

Solid-State NMR Analysis of Rhodopsin

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2D dipolar assisted rotational resonance (DARR) NMR experiments were performed at a 13C frequency of 125 MHz on a Bruker AVANCE spectrometer. The MAS spinning rate was set to 9–11 KHz ( ± 5 Hz) depending on whether the spinning sidebands will overlap with the labeled 13C frequencies. The ramped amplitude cross polarization contact time was 2 ms. Two-pulse phase-modulated decoupling was used during the evolution and acquisition periods with a radiofrequency field strength of 80 kHz. The DARR mixing time was 600 ms. The sample temperature was maintained at 198 K (±2 K).
REDOR NMR experiments20 were performed at a 13C frequency of 242 MHz on a Bruker AVANCE spectrometer with a dephasing period of 20 rotor cycles at 10 KHz MAS rate (2 ms). The REDOR filtered spectra (ΔS) were obtained by subtracting spectra with (S) and without (S0) rotor-synchronized 15N π pulses (10–11 μs). To reduce artifacts, S and S0 spectral acquisition was interleaved and difference spectra were acquired scan-by-scan. ΔS spectra were summed over 60–100 K scans using ~5–6 mgs of rhodopsin in a typical sample.
Hu Y., Kienlen-Campard P., Tang T.C., Perrin F., Opsomer R., Decock M., Pan X., Octave J.N., Constantinescu S.N, & Smith S.O. (2017). β-Sheet Structure within the Extracellular Domain of C99 Regulates Amyloidogenic Processing. Scientific Reports, 7, 17159.
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5

Analytical Characterization of Organic Compounds

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Melting points were determined in open capillary tubes on a Boetius melting point apparatus and were uncorrected. The standard NMR spectra were recorded on Bruker Avance spectrometers (Bruker, Billerica, MA, USA)(1H at 600 MHz, 13C at 150 MHz) in CDCl3 or DMSO-d6. Two-dimensional COSY, NOESY, HSQC, and HMBC spectra of selected compounds were recorded on a Bruker Avance spectrometer at 600 MHz, using COSYGPSW, NOESYGPPHSW, HSQCGPPH, and HMBCGP experiments. The HRMS spectra (EI—electroimpact ionization) were run on a Brucker Impact II (Bruker, Billerica, MA, USA). 1H NMR, 13C NMR and HRMS spectra are included in Supplementary Materials. Thin-layer chromatography was performed on aluminum oxide 60 F254 neutral (type E) (Merck 1.05581) with CH2Cl2 as eluents.
Jeleń M., Otto-Ślusarczyk D., Morak-Młodawska B, & Struga M. (2024). Novel Tetracyclic Azaphenothiazines with the Quinoline Ring as New Anticancer and Antibacterial Derivatives of Chlorpromazine. International Journal of Molecular Sciences, 25(8), 4148.
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6

Characterization Methods for Small Molecules

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General: All reagents were purchased from commercially available sources without further purification. Flash chromatography was performed using 60 Å mesh standard grade silica gel from Sorbetch. NMR solvents were obtained from Cambridge Isotope Labs and used as is. All 1H NMR (400 MHz) spectra were recorded at 25 °C on a Bruker Avance spectrometer. All 13C NMR (101 MHz, 126 MHz and 201 MHz) spectra were also recorded at 25 °C on Bruker Avance spectrometers. Chemical shifts (δ) are given in parts per million (ppm) relative to the respective NMR solvent; coupling constants (J) are in hertz (Hz). Abbreviations used are s, singlet; d, doublet; dd, doublet of doublets; td, triplet of doublets; and m, multiplet. All high-resolution mass spectrometry measurements were made in the Mass Spectrometry and Proteomics Facility at the University of Notre Dame. Infrared spectra were obtained on a FT/IR-4100 spectrophotometer (νmax in cm−1). UV absorbance was recorded on a Genesys 10 scanning UV/visible spectrophotometer (λmax in nm). HPLC data was obtained from an Advion A-2030 Scientific Instruments LC system.
Li H., Mattingly A.E., Jania L.A., Smith R., Melander R.J., Ernst R.K., Koller B.H, & Melander C. (2021). Benzimidazole Isosteres of Salicylanilides Are Highly Active Colistin Adjuvants. ACS infectious diseases, 7(12), 3303-3313.
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7

Purification and Characterization of Anti-Mycobacterial Compounds

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RUFI and RUFVII were isolated as described previously20 (these compounds are of the same lot used in these studies). The anti-M. tb compound ECU and its analogues were isolated from Nonomuraea sp. MJM5123 using multiple chromatographic fractionation steps as published previously.39 (link),40 (link) Preparative scale purification of ECU, deoxy-ECU, nor-ECU, and nor-deoxy-ECU was carried out using preparative HPLC instrument by Shimadzu (LC-20AP) using a 250 × 21.2 mm Kinetex 5 μm Evo C18 column. A mobile phase composition consisting of a 40/60 mixture of triethylammonium acetate pH 8.1/acetonitrile as solvent A and acetonitrile as solvent B was used. Separation was carried out in an isocratic mode using 88% A and 12% B at a flow rate of 21 mL/min. Samples were dried on a rotary evaporator to remove acetonitrile, followed by resuspension in water and lyophilization to obtain white amorphous powders. For NMR analysis, lyophilized samples were dissolved in 200 μL of methanol-d4 and transferred to 3 mm NMR tubes. Data were acquired on an 800 MHz Bruker Avance spectrometer equipped with a 5 mm triple resonance inverse TCI RT probe. Mass spectrometry data were acquired on a Bruker impact II with ESI source. Compounds were dissolved in water:acetonitrile 1:1 with 0.1% formic acid at approximately 10 μg/mL.
Wolf N.M., Lee H., Choules M.P., Pauli G.F., Phansalkar R., Anderson J.R., Gao W., Ren J., Santarsiero B.D., Lee H., Cheng J., Jin Y.Y., Ho N.A., Duc N.M., Suh J.W., Abad-Zapatero C, & Cho S. (2019). High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads. ACS infectious diseases, 5(6), 829-840.
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8

NMR, FT-IR, and Elemental Analysis

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Example 1

1H NMR spectra were recorded on a Bruker AVANCE spectrometer (400 MHz). FT-IR spectra were recorded in the region of 400-4000 cm−1 on a Thermo Electron Avatar 380 FT-IR instrument (KBr Discs). Elemental analyses were carried out with an Elmentar Vario EL-III analyzer. Fluorescence measurements were made on a Varian Cary Eclipse fluorescence spectrophotometer.

US10087289B2. Monomers, oligomeric complexes, coordination polymers, and methods for their preparation and use (2018-10-02). EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY [CN]. Inventors: Yongshu Xie [CN].
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9

DOSY NMR Protein Diffusion Measurements

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PGF-NMR experiments were run on an 800 MHz Bruker Avance spectrometer at 25 °C. The different protein samples were prepared in D2O at a protein concentration of 50 µM in 1 mM sodium phosphate buffer (pD 6.0). The experiments were performed using the Bruker pulse sequence and the Bruker macro diffusion ordered spectroscopy (DOSY)44 (link),51 (link). Typically 16 values of gradient strength were used in the range 0 to 32 G/cm, with PFG duration of 2 ms, and diffusion time of 150 ms. The self-diffusion coefficients (Ds) were calculated using the Bruker DOSY analysis program. Each sample was run in triplicate and Ds values were averaged over the three experiments. The resulting decay curves were fitted and Ds values were calculated with the equation below:
I = I(0)exp[-D(γgδ)2(Δ-(δ/3))]
Where I(0) is 1.002, γ is 4.258 × 103 Hz/G, δ is 4.000 ms, and Δ is 150 ms.
Kang J., Lim L, & Song J. (2023). ATP induces folding of ALS-causing C71G-hPFN1 and nascent hSOD1. Communications Chemistry, 6, 186.
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10

Solvent Purification and Characterization Methods

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All solvents used were purified and dehydrated using methods described in (ref. 55 (link)). All starting reagents were purchased from Sigma-Aldrich. Reactions were checked by TLC analysis using silica plates with a fluorescent indicator (254 nm) and visualized with a UV lamp. 1H and 13C NMR spectra were recorded on a Bruker Avance spectrometer (400 MHz for 1H, 100 MHz for 13C) in DMSO-d6. Chemical shifts are reported in parts per million relative to TMS. High resolution mass spectra (HRMS) were recorded on an Orbitrap Elite (Thermo Scientific) mass spectrometer with electrospray ionization (ESI) and orbital trap. To inject solutions with a concentration of 0.1 to 9 μg mL−1 (in 1% formic acid in acetonitrile), direct injection into the ion source using a syringe pump (5 μL min−1) was used. The spray voltage was ±3.5 kV, the temperature of the capillary was 275 °C.
Filatov V., Kukushkin M., Kuznetsova J., Skvortsov D., Tafeenko V., Zyk N., Majouga A, & Beloglazkina E. (2020). Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes. RSC Advances, 10(24), 14122-14133.
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