Avance neo 600 mhz

Manufactured by Bruker

Sourced in Germany, Switzerland

The Avance NEO 600 MHz is a nuclear magnetic resonance (NMR) spectrometer manufactured by Bruker. It operates at a frequency of 600 MHz and is designed for high-resolution NMR analysis of chemical and biological samples.

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Lab products found in correlation

5 mm cryoprobe, by Bruker (3 mentions) Nicolet is50, by Thermo Fisher Scientific (3 mentions) Topspin 4, by Bruker (2 mentions) Q exactive focus mass spectrometer, by Thermo Fisher Scientific (2 mentions) Tci triple resonance cryoprobe, by Bruker (2 mentions) Avance 3 hd 500 mhz, by Merck Group (2 mentions) Q exactive hybrid quadrupole orbitrap ms, by Thermo Fisher Scientific (2 mentions) Sephadex lh 20 gel, by GE Healthcare (2 mentions) Dmso d6, by Merck Group (2 mentions) Unity 400 mhz, by Bruker (1 mentions) Laprep p110, by Avantor (1 mentions) Avance neo 500 mhz, by Bruker (1 mentions) Aquity ultra performance lc, by Waters Corporation (1 mentions) Sodium deuteroxide solution, by Merck Group (1 mentions) Tobramycin, by Merck Group (1 mentions) Apramycin, by Merck Group (1 mentions) Deuteriumchloride solution, by Merck Group (1 mentions) Amikacin, by Merck Group (1 mentions) Gentamicin, by Merck Group (1 mentions) Deuterium oxide, by Merck Group (1 mentions)

41 protocols using avance neo 600 mhz

Phosphonamidate Inhibitors Synthesis

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Starting materials were purchased from
commercial suppliers and were used without further purification. Reactions
were monitored by LCMS (Agilent 1100 Series) equipped with an ESI-MS
detector (Waters Micromass ZQ 2000) or by TLC-MS (API, Advion Expression).
The phosphonamidate series were purified with preparative RP-HPLC
(VWR LaPrep P110) with single wavelength detection (254 nm), using
an ACE5 C8 column (5 μm, 100 Å, ϕ 21.2 mm L 250 mm)
and gradients of CH₃CN/H₂O as the mobile phase
at a 10 mL/min flow rate. NMR spectra of the synthetic intermediates
were recorded on a Varian Unity 400 MHz, Bruker Avance Neo 500 MHz,
or a Bruker Avance Neo 600 MHz spectrometer. The Bruker instruments
were equipped with TXO and TCI cryogenic probes. The chemical shifts
are reported using the residual solvent signal as an indirect reference
to TMS. Chemical shift titrations and 3D NOESY were acquired on the
Bruker Avance Neo 600 MHz spectrometer, whereas spectra for assignment
were obtained on the Bruker Avance HD 800 MHz spectrometer equipped
with a 3 mm TCI cryogenic probe. Purity analysis of the final phosphonamidate
inhibitors was performed using ¹H NMR, with the original
spectra being shown in the Supporting Information and the original NMR raw data files (FID) available open access
at Zenodo (DOI:10.5281/zenodo.4773990).

Palica K., Vorácová M., Skagseth S., Andersson Rasmussen A., Allander L., Hubert M., Sandegren L., Schrøder Leiros H.K., Andersson H, & Erdélyi M. (2022). Metallo-β-Lactamase Inhibitor Phosphonamidate Monoesters. ACS Omega, 7(5), 4550-4562.

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NMR Spectroscopy Data Processing

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Spectra were collected on a 500 MHz Bruker Avance II, Bruker Avance NEO 600 MHz, or an 800 MHz Bruker Avance II equipped with a cryoprobe. Data processing was performed in NMRPipe[30 (link)] and assignments completed in CcpNnmr analysis[31 (link)]. Buffer A contains 50 mM potassium phosphate, pH 7.0, 50 mM KCl, 2 mM DTT, 2 mM EDTA in 8% D₂O.

Sanchez J.C., Zhang L., Evoli S., Schnicker N.J., Nunez-Hernandez M., Yu L., Wereszczynski J., Pufall M.A, & Musselman C.A. (2020). The Molecular Basis of Specific DNA Binding by the BRG1 AT-hook and Bromodomain. Biochimica et biophysica acta. Gene regulatory mechanisms, 1863(8), 194566.

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1D NMR Characterization of DGD Complex

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1D proton NMR was performed on a Bruker Avance Neo 600-Mhz instrument with nitrogen-cooled prodigy TCI cryoprobe. Each measurement was conducted at 20.0°C using 3-mm NMR tubes. Water signal was minimized using a water flip-back pulse sequence. For each measurement, 1024 complex points were collected with an acquisition time of 86 ms. In total, 256 scans were collected for the DGD complex.

Monsen R.C., Chua E.Y., Hopkins J.B., Chaires J.B, & Trent J.O. (2023). Structure of a 28.5 kDa duplex-embedded G-quadruplex system resolved to 7.4 Å resolution with cryo-EM. Nucleic Acids Research, 51(4), 1943-1959.

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Characterization of Small Molecule Compounds

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All compounds used in this study were either
purchased from Chembridge or synthesized in house. All compounds where K_d are measured have purity higher than 95% by
high-performance liquid chromatography (HPLC). NMR data were collected
at 298 K on a Bruker AVANCE NEO 600 MHz spectrometer, equipped with
5 mm TCI CryoProbe using Bruker Topspin 4.0. HRMS data were collected
using an Agilent 1200 series HPLC instrument and diode array detector
coupled to a 6530 time-of-flight mass spectrometer with an ESI-AJS
source. The characterization information is included in the Supporting Information, and all proteins used
in this study were prepared in house, and the relevant information
were published previously.

Liu M., Mirza A., McAndrew P.C., Thapaliya A., Pierrat O.A., Stubbs M., Hahner T., Chessum N.E., Innocenti P., Caldwell J., Cheeseman M.D., Bellenie B.R., van Montfort R.L., Newton G.K., Burke R., Collins I, & Hoelder S. (2023). Determination of Ligand-Binding Affinity (Kd) Using Transverse Relaxation Rate (R2) in the Ligand-Observed 1H NMR Experiment and Applications to Fragment-Based Drug Discovery. Journal of Medicinal Chemistry, 66(15), 10617-10627.

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Synthesis and Characterization of CM571 Compound

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Reagents and starting materials were obtained from commercial suppliers (Fisher Scientific or Millipore Sigma) and were used without purification. Precoated silica gel 60 F254 aluminum backed plates from EMD or GF Uniplates from Analtech were used for thin-layer chromatography (TLC). Column chromatography was performed on silica gel using an automated Teledyne Combiflash Flash column instrument. The low-resolution mass spectra (MS) were recorded on a Waters Aquity Ultra Performance LC coupled with a PDA detector and a QDA detector in ESI mode. Column (BEH C18, 1.7 μm, 2.1 × 50 mm). Mobile phases: A (water with 0.1% formic acid), B (acetonitrile with 0.1% formic acid). Gradient (0 min 10% B until 0.5 min, linear to 100% B at 3.5 min and then isocratic until 4.0 min, then linear back to 10% B at 4.5 min and isocratic until 6 min. ¹H and ¹³C nuclear magnetic resonance (NMR) spectra were collected on a Bruker Avance Neo 600 MHz radio-frequency console operating with a Bruker Ascend 600/54 magnet equipped with a Prodigy Broad-Band Observe Z-gradient CryoProbe. Chemical names were generated using ChemDraw (CambridgeSoft, version 19.0). The precursor CM571 was synthesized according to previously published procedure (Nicholson et al., 2019 (link)).

Liu C.Z., Mottinelli M., Nicholson H.E., McVeigh B.M., Wong N.K., McCurdy C.R, & Bowen W.D. (2021). Identification and characterization of MAM03055A: a novel bivalent sigma-2 receptor/TMEM97 ligand with cytotoxic activity. European journal of pharmacology, 906, 174263.

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Solid-State NMR of Lithium-Ion Battery Cathodes

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SSNMR experiments were performed at room temperature on a Bruker Avance NEO 600 MHz spectrometer equipped with a 1.6 mm HFXY MAS Phoenix probehead. The cathode material was extracted and dried as described in the previous section, either in the discharged state at 2.0 V or the charged state at 4.6 V. Each sample was mixed with KBr powder in a roughly 1:1 ratio by volume in a mortar and pestle until homogenized, then packed into a 1.6 mm o.d. ZrO₂ rotor in an Ar-filled glovebox. All experiments were performed at 18 kHz MAS frequency. ¹H → ¹³C CPMAS and ¹⁹F → ¹³C CPMAS experiments were performed using ¹³C B₁ field of ~60 kHz and ¹H (or ¹⁹F, respectively) field linearly ramped from 90 to 100% at the Hartmann-Hahn matching condition of ~60 kHz and high power ¹H decoupling with TPPM for both experiments. ¹⁹F spin echo spectra were collected using a rotor-synchronized spin-echo pulse sequence (90°—τ—180°—τ—acquire, with τ set to 2 rotor periods).

Hestenes J.C., Ells A.W., Navarro Goldaraz M., Sergeyev I.V., Itin B, & Marbella L.E. (2020). Reversible Deposition and Stripping of the Cathode Electrolyte Interphase on Li2RuO3. Frontiers in Chemistry, 8, 681.

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NMR Characterization of Aminoglycoside Antibiotics

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Deuterium oxide, deuterium
chloride solution (35 wt % in D₂O, ≥99 atom % D),
sodium deuteroxide solution (40 wt % in D₂O, 99.5 atom
% D), tobramycin, gentamicin, amikacin, and apramycin were purchased
from Sigma-Aldrich. Plazomicin (Cipla) and arbekacin (Meiji Seika)
solutions were obtained from the dispensary.
All NMR spectra,
including ¹H, ¹³C, HSQC, HMBC, COSY, and ¹H–¹⁵N HMBC were recorded on a Bruker Avance
Neo 600 MHz (Bruker Biospin Gmbh, Rheinstetten, Germany) with a quadruple
resonance CryoProbe (CP QCI 600S3 H/F-C/N-D-05 Z).

Muhamadejevs R., Haldimann K., Gysin M., Crich D., Jaudzems K, & Hobbie S.N. (2024). Experimental Determination of the pKa Values of Clinically Relevant Aminoglycoside Antibiotics: Toward Establishing pKa—Activity Relationships. ACS Omega, 9(5), 5876-5887.

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High-field NMR Structural Analysis

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High-field NMR measurements were performed on a Bruker Avance III 500 MHz and Bruker Avance NEO 600 MHz spectrometers (Bruker Biospin, Rheinstetten, Germany) with BBFO^PLUS Smart and TCI probes, respectively. Both spectrometers were equipped with Bruker Automatic Sample Changer. ¹H NMR spectra for the samples in D₂O and in EDTA buffer were recorded with an AQ of 4.5 s., relaxation delay (RD) of 5 s., NS of 16, TD of 65 K and a PA of 30°. The decrease of NS led to considerable decrease in measurement time from 60 min on 80 MHz to 5 min on 500 MHz/600 MHz spectrometers.
Heteronuclei measurements were performed in D₂O on 500 MHz NMR spectrometer. ³⁵Cl NMR spectra were recorded at 90° PA using 1024 NS and four dummy scans (DS). The TD of 4k points were acquired with a spectral width (SW) of 398.4 ppm, AQ of 0.10 s and constant receiver gain (R = 362). The following parameters were selected for ³⁹K NMR measurements: PA 90°, NS = 128, AQ = 1.10 s, DS = 4, TD = 16k, SW = 2335.0 ppm, RG = 171.7.

Adels K., Elbers G., Diehl B, & Monakhova Y. (2023). Multicomponent analysis of dietary supplements containing glucosamine and chondroitin: comparative low- and high-field NMR spectroscopic study. Analytical Sciences, 40(1), 101-113.

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Characterization of Chemical Compounds

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The ¹H, ¹³C, HSQC, and HMBC NMR spectra were obtained using the Bruker AVANCE III HD 500 MHz and Bruker AVANCE NEO 600 MHz spectrometers (Bruker, Billerica, MA, USA); the chemical shift (δ) was expressed in ppm using TMS as an internal standard. The ESI-MS spectra were obtained using an Agilent 1260 series single quadrupole LC/MS system (Agilent, Santa Clara, CA, USA). Column chromatography (CC) was carried out on silica gel (Merck, Damstadt, Germany 40–63 μm) or Sephadex^® LH-20 (Sigma, Uppsala, Sweden). Analytical thin-layer chromatography was conducted on TLC aluminum sheet silica gel 60 F₂₅₄ (Merck, Damstadt, Germany). The compounds were detected using a UV lamp (254 and 365 nm) or by spraying with 10% sulfuric acid in water and heating.

Phuong D.T., Van Phuong N., Le Tuan N., Cong N.T., Hang N.T., Thanh L.N., Hue V.T., Vuong N.Q., Ha N.T., Popova M., Trusheva B, & Bankova V. (2023). Antimicrobial, Cytotoxic, and α-Glucosidase Inhibitory Activities of Ethanol Extract and Chemical Constituents Isolated from Homotrigona apicalis Propolis—In Vitro and Molecular Docking Studies. Life, 13(8), 1682.

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NMR Characterization of Cellulose Samples

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Liquid-state NMR spectra
were acquired on a Bruker AVANCE NEO 600 MHz spectrometer equipped
with a 5 mm SmartProbe. The samples were dissolved in the ionic liquid
electrolyte, tetrabutylphosphonium acetate ([P₄₄₄₄][OAc]):DMSO-d₆ (20:80 wt %), according to a published procedure.^{24 (link)} However, the final 5 wt % viscosity was too
high due to the high molecular weight of the materials, preventing
transfer to the 5 mm NMR tube and likely offering poor resolution.
This is typical of Kraft pulps. Therefore, the sample was diluted
with further [P₄₄₄₄][OAc]:DMSO-d₆ electrolyte to a concentration of ∼3 wt %. ¹H
and diffusion-edited^{23 (link)}¹H experiments
were collected for CEL, H-CEL, V-CEL, and S-CEL. The diffusion-edited ¹H was used to filter out the low-molecular-weight species
in the sample to allow for identification of the polymeric species
that may not be visible under the H₂O or [P₄₄₄₄][OAc] signals. A multiplicity-edited heteronuclear single quantum
coherence (HSQC) for S-CEL was collected to help identify the cellulosic
resonances and those of other potential impurities. Full details of
the NMR experimental conditions and pulse sequences are given in the Supporting Information, which also includes measurements
via ¹³C CP (cross-polarization) MAS (magic-angle spinning)
NMR.

Niu X., Liu Y., King A.W., Hietala S., Pan H, & Rojas O.J. (2019). Plasticized Cellulosic Films by Partial Esterification and Welding in Low-Concentration Ionic Liquid Electrolyte. Biomacromolecules, 20(5), 2105-2114.

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