Avance nmr spectrometer

Manufactured by Bruker

Sourced in United States, Germany, United Kingdom, Switzerland

The Avance NMR spectrometer is a laboratory instrument designed for nuclear magnetic resonance (NMR) spectroscopy. It is used to analyze the molecular structure and properties of chemical compounds by detecting the magnetic properties of atomic nuclei.

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Close spelling variants of this product

Avance spectrometer (419 citations) NMR spectrometer (293 citations) Avance III NMR spectrometer (156 citations) Avance III 600 MHz NMR spectrometer (93 citations) Bruker spectrometers (71 citations) AVANCE III 400 NMR spectrometer (47 citations) Avance III 600 NMR spectrometer (33 citations) Avance Neo 400 MHz NMR spectrometer (9 citations) Avance III HD 700 NMR spectrometer (6 citations) Avance DRX-400 NMR spectrometer (6 citations)

124 protocols using avance nmr spectrometer

Metabolic Profiling of Cells Using 2D NMR

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2D [¹³C, ¹H] HSQC experiment was recorded on all repeats of all samples at 298 K using Bruker Avance NMR spectrometer at a ¹H operating frequency at 700 MHz, equipped with a cryoprobe. 4,096 points and 256 points were recorded for direct (¹H) and indirect (¹³C) dimension with 8 scans. 2D [¹³C, ¹H] HSQC-TOCSY experiment was recorded for one repeat of +ST cells under the attached condition at 298 K using Bruker Avance NMR spectrometer at a ¹H operating frequency at 800 MHz, equipped with a cryoprobe. 4,096 points and 256 points were recorded for direct (¹H) and indirect (¹³C) dimension with 16 scans and 60 ms TOCSY mixing time.
The spectra were processed using Topspin 3.2 and analyzed using CCPN (Mehlen and Puisieux, 2006 (link)).
The 2D [¹³C, ¹H] HSQC spectrum of all 5 repeats were overlayed to check for reproducibility. We found few peaks (Figure 3B, marked in circle) which were exclusively present in the 2D [¹³C, ¹H] HSQC spectrum of all the repeats of +ST cells. Using 2D [¹³C, ¹H] HSQC-TOCSY, we found out those peaks belong to the same spin system/metabolite. This spin system was assigned to proline using software PROMEB (Hanahan and Weinberg, 2011 (link)).

Saha M., Deshpande N., Dubey A., Pal D., Atreya H.S, & Rangarajan A. (2021). Sustained AMPK Activation and Proline Metabolism Play Critical Roles in the Survival of Matrix-Deprived Transformed Cells. Frontiers in Cell and Developmental Biology, 9, 771366.

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Synthesis and Characterization of Triazole Hybrids

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Starting materials employed for the synthesis of triazole hybrids were obtained from the commercial sellers, open capillary tube method was employed to record the melting points of the compounds and are reported as such. TLC plates were used to visualize the progression of the reaction. IR spectral data was recorded on Shimazdu IR Affinity FTIR spectrophotometer. Bruker Avance III 400 nano bay spectrometer operating at 400 and 100 MHz and Bruker Avance NMR spectrometer operating at 500 and 125 MHz in deuterated (DMSO-d₆) using tetramethyl silane (TMS) as internal standard (chemical shift in ppm) was used to record ¹H and ¹³C NMR.

Kumar A., Lal K., Poonia N., Kumar A, & Kumar A. (2022). Synthesis, antimicrobial evaluation and docking studies of fluorinated imine linked 1,2,3-triazoles. Research on Chemical Intermediates, 48(7), 2933-2948.

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NMR Spectroscopy of Ussing Chamber Solutions

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A 65 μL aliquot of deuterated 50 mM sodium
phosphate buffer in D₂O (pD 7.4) containing 0.35 or 0.45 mM
3-(trimethylsilyl)-propane-1-sulfonic acid (DSS-d₆,
Cambridge Isotope Laboratories, Tewksbury, MA) as a chemical shift and
quantitation reference, and 0.2 mM ethylenediaminetetraacetic
acid-d₁₆ (EDTA-d16, Sigma-Aldrich, St. Louis,
MO) was added to a 5 mm NMR tube (Wilmad 535-pp or equivalent) containing 585
μL of solution removed from the Ussing chamber. The
DSS concentration was determined in a separate NMR experiment relative to the
concentration of the primary standard potassium hydrogen phthalate (KHP, minimum
99.95% purity; Sigma-Aldrich) as described by Larive et al.³⁸¹H NMR spectra were acquired at 298 K using a Bruker Avance
NMR spectrometer (Bruker, Billerica, MA, USA) equipped with a BBI probe and
operating at 599.52 MHz. A 90° pulse was applied and the solvent
resonance was suppressed by excitation sculpting (Bruker pulse sequence
zgesgp).³⁹ Spectra
were acquired into 32768 points with coaddition of 4096 transients, 128 dummy
scans, and a relaxation delay of 0.05 s and acquisition time of 2.38 s.

Dinges M.M., Lytle C, & Larive C.K. (2018). 1H NMR-Based Identification of Intestinally Absorbed Metabolites by Ussing Chamber Analysis of the Rat Cecum. Analytical chemistry, 90(6), 4196-4202.

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Comprehensive Characterization of Organic Compounds

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¹H NMR and ¹³C NMR spectra were recorded with
a Bruker AVANCE NMR spectrometer. Elemental analysis was performed
using a Bio-Rad elemental analysis system. MALDI-TOF mass spectra
were performed on an AXIMA CFR MS apparatus (COMPACT). Thermal gravimetric
analysis (TGA) and differential scanning calorimetry (DSC) were performed
with a PerkinElmer-TGA 7 and PerkinElmer-DSC 7 instrument, respectively,
under a nitrogen atmosphere at a heating rate of 10 °C/min. UV–vis
absorption and PL spectra were recorded on a PerkinElmer LAMBDA 35
UV–vis spectrometer and PerkinElmer LS 50B spectrofluorometer,
respectively. The PLQYs were measured using a quantum yield measurement
system (C10027, Hamamatsu Photonics) excited at 360 nm. The transient
PL spectra were measured by a HORIBA Jobin Yvon Fluorolog-3 spectrofluorometer.
Also, the prompt and delay lifetimes were estimated according to a
monoexponential and tri-exponential fittings, respectively. CV curves
were recorded on an EG&G 283 Princeton Applied Research potentiostat/galvanostat
system. Ferrocene was used as the reference and n-Bu₄NClO₄ was used as the supporting electrolyte.
The HOMO and LUMO energy levels were calculated according to the equation
HOMO = −e[E_onset,ox + 4.8] V, LUMO = HOMO + E_g, where E_onset,ox was the onset value of the first oxidation
potential, and E_g was the optical band
gap estimated from the absorption onset.

Rao J., Zhao C., Wang Y., Bai K., Wang S., Ding J, & Wang L. (2019). Achieving Deep-Blue Thermally Activated Delayed Fluorescence in Nondoped Organic Light-Emitting Diodes through a Spiro-Blocking Strategy. ACS Omega, 4(1), 1861-1867.

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Synthesis and Characterization of Novel Compounds

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Solvents and reagents used for synthesis and purification were purchased from Alfa Aesar (Karlsruhe, Germany). All chemicals were of analytical grade. The purity of the synthesized compounds was verified by thin layer chromatography and was carried out on precoated Silica Gel 60F254 sheets using heptan – ethyl-acetate 3:7 as developer and UV absorption for visualization. The melting points were established using an Electrothermal melting point meter and are uncorrected. LC-MS analyses were performed with an Agilent 1100 series and an Agilent Ion Trap SL mass spectrometer. ¹H-NMR was performed on a Bruker Avance NMR spectrometer operating at 500 MHz, in DMSO-d6 as solvent. Chemical shift values were reported relative to tetramethylsilane (TMS) as internal standard. The synthesis of the compounds 1, 2 and 3 was previously reported [14 ]. The chemical structures of compounds 6a–f, 7a–d are presented in Table I, II. Ten compounds with new structures were synthesized (Figure 1) and characterized.

STOICA C.I., IONUȚ I., PÎRNĂU A., POP C., ROTAR A., VLASE L., ONIGA S, & ONIGA O. (2015). Synthesis, lipophilicity and antimicrobial activity evaluation of some new thiazolyl-oxadiazolines. Clujul Medical, 88(4), 521-529.

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NMR Characterization of Chitosan Derivatives

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NMR samples were prepared by dissolving 1÷2.7 mg of chitosan, 2.7 mg of Chit-HVP, and 2.7 mg di Chit-GBMP1a in 700 μL of deuterated acetic acid 2 M in D₂O. Acetic acid-d4 (99.9% isotopic purity) and D₂O (99.9% isotopic purity) were purchased by Merck Life Science Srl, Milan, Italy. All the spectra were acquired at 298 K with a Bruker Avance NMR spectrometer operating at 700 MHz ¹H Larmor frequency. ¹H spectra were acquired with 16–32 scans, inter-scan delay of 10 s, and water suppression with z-gradients. The residual methyl resonance of deuterated acetic acid (CHD₂-COOD) at 2.03 ppm was used for spectra reference.

Brun P., Zamuner A., Cassari L., D’Auria G., Falcigno L., Franchi S., Contini G., Marsotto M., Battocchio C., Iucci G, & Dettin M. (2021). Chitosan Covalently Functionalized with Peptides Mapped on Vitronectin and BMP-2 for Bone Tissue Engineering. Nanomaterials, 11(11), 2784.

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Synthesis and Characterization of Novel Compounds

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All chemicals used for the synthesis, purification, analysis, and antioxidant assays, with appropriate grade purity, were purchased from local suppliers and were used as supplied. The melting points were measured using an MPM-H1 melting point device (Schorpp Gerätetechnik, Überlingen, Germany), based on the glass capillary method. The MS spectra of the compounds were recorded using an Agilent 1100 series device in positive ionization mode for intermediate compound 3 and in negative ionization mode for the final compounds 5a–l, connected to an Agilent Ion Trap SL mass spectrometer (70 eV) instrument (Agilent Technologies, Santa Clara, CA, USA). The IR spectra were recorded under vacuum, using a FT/IR 6100 spectrometer (Jasco, Cremella, Italy) in KBr pellets. The ¹H-NMR and ¹³C-NMR spectra were recorded using an Avance NMR spectrometer (Bruker, Karlsruhe, Germany) in dimethyl sulfoxide-d₆. Chemical shift values were reported in δ units, relative to tetramethylsilane as internal standard.

Marc G., Stana A., Oniga S.D., Pîrnău A., Vlase L, & Oniga O. (2019). New Phenolic Derivatives of Thiazolidine-2,4-dione with Antioxidant and Antiradical Properties: Synthesis, Characterization, In Vitro Evaluation, and Quantum Studies. Molecules, 24(11), 2060.

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pH Calibration of ISUCA using NMR Spectroscopy

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The chemical synthesis of ISUCA and generation of a pH calibration curve using the chemical shift of the ISUCA H2 proton have been previously described.^{20 (link)} The spectrum contains three peaks of equal area for the H2, H4 and H5 protons (Fig. 1a); the chemical shift of the H2 peak is most pH sensitive (Fig. 1b), and this peak was used for pH measurement relative to the water resonance, which served as the internal standard. Calibration of pH was confirmed on a 600 MHz Bruker AVANCE NMR Spectrometer (Bruker Biospin, Coventry UK), using solutions of ISUCA in murine plasma at 37 °C with pH values over the range 2.06–9.44 (Fig. 1c).

Lee S.H., McIntyre D., Honess D., Hulikova A., Pacheco-Torres J., Cerdán S., Swietach P., Harris A.L, & Griffiths J.R. (2018). Carbonic anhydrase IX is a pH-stat that sets an acidic tumour extracellular pH in vivo. British Journal of Cancer, 119(5), 622-630.

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NMR Characterization of αSyn Interactions

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NMR experiments were performed on 800 MHz Bruker Avance NMR spectrometer equipped with cryogenically cooled triple-resonance probe. All the NMR measurements were performed in PBS, pH 7.4 at a temperature of 280 K if not otherwise indicated. ¹H–¹⁵N BEST-HSQC spectra were recorded for 108 μM ¹⁵N isotopically enriched αSyn in the presence and absence of different concentrations of PGL, CLN or CA with inter-scan delays of 200 ms and 2048 × 512 points for the ¹H and ¹⁵N dimension respectively. Spectra were recorded in phase-sensitive mode and quadrature detection was performed with the help of States-TPPI method.⁶¹ The ¹H and ¹⁵N dimensions were zero-filled to 4096 and 1024 points, respectively. Sine squared bell apodization with SSB = 2 was used as a window function for both dimensions. Data was processed with the help of Topspin 4.0 (Bruker, USA) and analysed with CCPN^{62 (link)} (Collaborative Computing Project for NMR, University of Leicester, UK). Chemical shift assignments were obtained by transfer from BMRB (accession number 16300) and other previous reports.^{46 (link)} Chemical shift perturbations (CSP) were calculated as where ΔN and ΔH represent the difference in the nitrogen and proton chemical shifts of αSyn in the presence of PGL, CLN or CA with respect to that of pure αSyn, respectively.

Bopardikar M., Koti Ainavarapu S.R, & Hosur R.V. (2022). Pyrogallol, Corilagin and Chebulagic acid target the “fuzzy coat” of alpha-synuclein to inhibit the fibrillization of the protein. RSC Advances, 12(55), 35770-35777.

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Quantitative Analysis of Drug Potency

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The potency of the drug substance was determined by quantitative nuclear magnetic resonance (q‐NMR) in 1% D2O in DMSO‐d6 with a Bruker Avance NMR spectrometer (Billerica, MA), operating at 700 MHz 1H frequency. The level of residual unlabeled drug substance was determined with a Thermo LTQ Orbitrap XL mass spectrometer (Waltham, MA). The bacterial endotoxin level of the drug substance was measured with a BioWhittaker Ex 808 turbidimetric reader (Walkersville, MD).

Alaarg A., Menon R., Rizzo D., Liu Y., Bien J., Elkinton T., Grieme T., Asmus L.R, & Salem A.H. (2021). A microdosing framework for absolute bioavailability assessment of poorly soluble drugs: A case study on cold‐labeled venetoclax, from chemistry to the clinic. Clinical and Translational Science, 15(1), 244-254.

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