Avance 400 mhz

Manufactured by Bruker

Sourced in Germany, United States, Switzerland

The Avance 400 MHz is a nuclear magnetic resonance (NMR) spectrometer produced by Bruker. It operates at a frequency of 400 MHz and is designed to analyze the chemical structure and properties of samples through the detection and measurement of nuclear magnetic resonances.

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Lab products found in correlation

Avance 600 mhz spectrometer, by Bruker (3 mentions) Matlab, by MathWorks (3 mentions) Avance 500 mhz, by Bruker (3 mentions) 7890a gc system, by Agilent Technologies (3 mentions) Clarus 400 gc system, by PerkinElmer (3 mentions) Stannous chloride, by Sinopharm (2 mentions) N methyl 4 piperidinone, by Sinopharm (2 mentions) Avance 400 mhz spectrometer, by Bruker (2 mentions) Silica gel 60, by Merck Group (2 mentions) Silica gel, by Merck Group (2 mentions) Jsm 6610lv sem, by JEOL (2 mentions) 4 benzyl chloride functionalized silica gel, by Merck Group (2 mentions) 16f model, by PerkinElmer (2 mentions) Linoleic acid, by Merck Group (2 mentions) 7 mm cpmas probe, by Bruker (2 mentions) Topspin, by Bruker (2 mentions) Avance 300 mhz, by Bruker (2 mentions) Nicolet is10, by Thermo Fisher Scientific (2 mentions) Topspin 4, by Bruker (2 mentions) Escalab 250xi, by Thermo Fisher Scientific (2 mentions)

Close spelling variants of this product

Avance 400 (545 citations) Avance III 400 MHz (194 citations) Avance 400 MHz NMR spectrometer (60 citations) Avance Neo 400 MHz (26 citations) Avance III 400 MHz NMR (13 citations) Avance Neo 400 MHz NMR spectrometer (9 citations) Avance DRX 400 MHz (8 citations) Avance DPX 400 MHz (6 citations) Avance 400 MHz FT-NMR (5 citations) Avance Digital 400 MHz NMR spectrometer (4 citations)

135 protocols using avance 400 mhz

Solid-State 13C NMR Spectroscopy Protocol

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Example 6

The solid state ¹³C NMR spectrum was measured under the following conditions. The results are shown in FIG. 6.

(Measurement Conditions)

Used apparatus: Avance400 MHz (manufactured by BRUKER) 7

mm-CPMAS probe (manufactured by BRUKER)

Measured nucleus: ¹³C (resonant frequency 100.6248425 MHz)

Measurement temperature: room temperature (22° C.)

Pulse mode: CPTOSS measurement

Rotation number: 5,000 Hz

Pulse repetition time: 4 second

Contact time: 1 millisecond

Number of scans: 8,000

Reference material: glycine (external reference: 176.03 ppm)

The solid state ¹³C NMR spectrum was obtained by CPTOSS method (a method for eliminating spinning side bands) with carbon nucleus (resonance frequency 100.6 MHz) using an NMR instrument, BRUKER Avance 400 MHz equipped with a 7 mm CPMAS probe (manufactured by BRUKER). The sample tube enclosing approximately 300 mg of a solid sample was rotated at 5 kHz and measured using contact time of 1 millisecond, pulse delay time of 4 second and number of scans of 8000 at room temperature (22° C.). Chemical shifts were corrected by an external reference method with carbonyl carbon of glycine being 176.03 ppm.

US10221183B2. Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide (2019-03-05). Eisai R&D Management Co., Ltd. [JP]. Inventors: Ikuo Kushida [JP], Yoko Ito [JP].

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Solid-State 13C NMR Spectroscopy Protocol

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Example 6

The solid state ¹³C NMR spectrum was measured under the following conditions. The results are shown in FIG. 6.

(Measurement Conditions)

Used apparatus: Avance400 MHz (manufactured by BRUKER) 7

mm-CPMAS probe (manufactured by BRUKER)

Measured nucleus: ¹³C (resonant frequency 100.6248425 MHz)

Measurement temperature: room temperature (22° C.)

Pulse mode: CPTOSS measurement

Rotation number: 5,000 Hz

Pulse repetition time: 4 second

Contact time: 1 millisecond

Number of scans: 8,000

Reference material: glycine (external reference: 176.03 ppm)

US10259817B2. Crystal (6S,9aS)-N-benzyl-8-({6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxo-2-(prop-2-en-1-yl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide (2019-04-16). Eisai R&D Management Co., Ltd. [JP]. Inventors: Ikuo Kushida [JP], Yoko Ito [JP].

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Compound Purity Validation via NMR, MS, HPLC

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All tested compounds were purchased from InterBioScreen Ltd., Chernogolovka, Russia [62 ]. The vendor verified that each compound had >92% purity by NMR (Bruker Avance 400 MHz, Billerica, MA, USA) and mass spectrometry (MS) (Waters ZQ^TM, Milford, MA, USA). To further validate the purity of the purchased compounds, we performed characterization using HPLC (Waters Alliance HPLC, Milford, MA, USA), NMR (Bruker Avance 400 MHz), and MS (Waters ZQ^TM) methods, and found >95% purity for each compound.

Pandey P., Roy K.K., Liu H., Ma G., Pettaway S., Alsharif W.F., Gadepalli R.S., Rimoldi J.M., McCurdy C.R., Cutler S.J, & Doerksen R.J. (2018). Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists. Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry, 23(10), 2630.

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Geranyloxycoumarins Synthesis and Characterization

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In this study, geranyloxycoumarin derivatives were synthesized using substituted hydroxycoumarin (procured from TCI and AlfaAesar, Tokyo, Japan). Geranyl bromide (95%, Aldrich, St. Louis, MO, USA) was used as the alkenyl chain, and NaOH, triethylamine (Et3N), K₂CO₃, Cs₂CO₃, Ag₂CO₃, etc., were used as bases. Acetonitrile, ethyl acetate, dichloromethane, n-hexane, acetone, and ethanol were used as solvents. A nuclear magnetic resonance spectrometer (NMR spectrometer; BRUKER AVANCE 400 MHz, BRUKER, Karlsruhe, Germany) was used for analysis. CDCl₃ and CD₃OD containing tetramethylsilane (TMS), which is an internal standard, were used as analytical solvents. Infrared spectroscopy was performed on an FT/IR-4200 (JASCO, Tokyo, Japan) spectrophotometer, and KBr pellets were prepared to confirm the functional groups in the compound (see Supplementary Materials). In addition, the melting point was measured without calibrating the temperature. A thermometer was mounted under a paraffin oil container, and the open glass capillary method was used.

, & Roh E.J. (2021). Inhibitory Effects of Coumarin Derivatives on Tyrosinase. Molecules, 26(8), 2346.

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Synthesis of Fluorinated Piperidin-4-one Derivatives

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N-Methyl-4-piperidinone, stannous chloride and allaromatic aldehydes were purchased from Sinopharm Chemical Reagent Co. Ltd (Shanghai, China) and used as obtained without further purification. Compounds (3E,5E)-3–(2-fluorobenzylidene)-1-methyl-5–(3-nitrobenzylidene)piperidin-4-one (83), (3E,5E)-3-(3-aminobenzylidene)-5-(2-fluorobenzylidene)-1-methylpiperidin-4-one (92) were prepared based on a literature¹⁹ . NMR data were collected using a Bruker Avance 400 MHz for ¹H NMR with chemical shifts δ relative to TMS, while ¹³ (link)C NMR data were collected at 100 MHz on a Bruker Avance 400 MHz spectrometer or 150 MHz on a Bruker Avance 600 MHz spectrometer (Bruker Scientific, Billerica, MA). The HREIMS data were obtained on a Finnigan-MAT-95 mass spectrometer (Bruker Scientific, Billerica, MA).

Su C.M., Hou G.G., Wang C.H., Zhang H.Q., Yang C., Liu M, & Hou Y. (2019). Potential multifunctional agents with anti-hepatoma and anti-inflammation properties by inhibiting NF-кB activation. Journal of Enzyme Inhibition and Medicinal Chemistry, 34(1), 1287-1297.

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Analytical Characterization of Organic Compound

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Infrared (IR) spectra were taken on an ALPHA-T infrared spectrophotometer using KBr disks. The ¹H nuclear magnetic resonance (NMR) and ¹³C NMR spectra were recorded on a Bruker AVANCE 400 MHz, with CDCl₃ as the solvent and tetramethylsilane (TMS) as the internal standard. The elemental analysis was performed on a FLASH EA1112 elemental analyzer. The mass spectrum was recorded on a Waters Xevo TQ spectrometer. X-ray diffraction data were collected on a Bruker AXS II CCD area-detector diffractometer, Mo Kα. The melting points were determined on a Beijing Taike melting point apparatus (X-4) and are uncorrected. Microwave experiments were carried out with a reliable microwave reactor (Beijing XH-100A) at 800 W. The kits (Shanghai Generay Biotech Co., Ltd., Beijing, China) were commercially available and prepared with standard methods before use. All reagents were of analytical grade.

Ye F., Ma P., Zhang Y.Y., Li P., Yang F, & Fu Y. (2018). Herbicidal Activity and Molecular Docking Study of Novel ACCase Inhibitors. Frontiers in Plant Science, 9, 1850.

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Self-assembly of Fluorinated Dipeptides

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The synthetic peptides and their intermediates were dissolved in either CDCl₃ or DMSO. The shifting of the amide protons and fluorine signals during the self-assembly process was also determined by NMR spectroscopy. The proton NMR was acquired by dissolving 10 mg of the fluorinated dipeptides into 0.6 mL of toluene d₈ in an NMR tube before and after sonication. ¹⁹F NMR was also acquired similarly before and after sonication. All the NMR data were acquired in either a Bruker Avance 400 MHz or 500 MHz spectrometer.

Maity S., Das P, & Reches M. (2015). Inversion of Supramolecular Chirality by Sonication-Induced Organogelation. Scientific Reports, 5, 16365.

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Synthesis and Characterization of Bis-arylidene Cyclohexanone and Piperidinone Derivatives

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Cyclohexanone, N-methyl-4-piperidinone, 4-piperidone hydrate hydrochloride, tetrabutyl ammonium bromide (TBAB), stannous chloride and all aromatic aldehydes were purchased from Sinopharm Chemical Reagent Co. Ltd (Shanghai, China) and were used as obtained without further purification. Compounds (2E,6E)-2,6-bis(3-aminobenzylidene)Cyclohexanone (2a) and (3E,5E)-3,5-bis(3-aminobenzylidene)-1-methylpiperidin-4-one (2b) were prepared based on a literature²⁵ ^,²⁶ . ¹H NMR data were collected using a Bruker Avance 400 MHz. Chemical shifts were reported in δ relative to TMS. 13C NMR data were collected at 100 MHz on a Bruker Avance 400 MHz spectrometer, or at 150 MHz on a Bruker Avance 600 MHz spectrometer. Elemental analyses were performed on a Perkin–Elmer Model 240c analyzer. Infrared (IR) spectra were obtained in the 400–4000 cm⁻¹ range using a Perkin-Elmer Frontier Mid-IR FTIR Spectrometer.

Zhang L., Chen Q., Hou G., Zhao W, & Hou Y. (2019). Hydroxyl-substituted double Schiff-base condensed 4-piperidone/cyclohexanones as potential anticancer agents with biological evaluation. Journal of Enzyme Inhibition and Medicinal Chemistry, 34(1), 264-271.

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Characterization of Carbon Nanoparticles

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Element analysis of CNPs was conducted with an Elementar device (Vario EL cube, Germany) in CHNS and O mode, respectively. TEM images were taken on a Tecnai G2/F20 microscope (FEI, USA) operated at 200 kV. The size distribution and zeta potential of CNPs in aqueous solution were estimated using a Nano Plus apparatus (Nanoplus-3, Germany). The solid-state nuclear magnetic resonance (ssNMR) spectra were collected on a Bruker Avance 400 MHz spectrometer. Powder X-ray diffraction (XRD) was performed using a PANalytical X'Pert PRO diffractometer with focused Cu Kα1 X-rays. The specific surface areas were determined by the Brunauer–Emmett–Teller method (BET, Micromeritics Tristar-II, USA). The maximum BET surface area of sample was calculated according to the following equation: where S_max refers to the BET surface area, V_s is the value of slope and V_i is the value of intercept.

Chen L., Wang H., Li X., Nie C., Liang T., Xie F., Liu K., Peng X, & Xie J. (2018). Highly hydrophilic carbon nanoparticles: uptake mechanism by mammalian and plant cells. RSC Advances, 8(61), 35246-35256.

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Synthesis of Degradable PEG-based Tri-block Copolymers

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Degradable PEG-based tri-block copolymers [methacrylate-poly(lactide)-b-PEG-b-poly(lactide)-methacrylate] (PEGPLA_mDM, Fig. 1), were synthesized as previously described by functionalizing linear PEG (Alfa Aesar, MW 10 kDa, n=227) with d,l-lactide and performing microwave-assisted methacrylation (22 (link), 32 , 43 , 44 (link)). Briefly, linear PEG (Alfa Aesar, MW 10 kDa, n=227) was reacted with d,l-lactide at molar ratios of 1:2, 1:6, and 1:8 (PEG:d,l-lactide). ¹H-NMR was used to determine the number of lactide repeats per macromer (-CH₂CH₂O- (PEG), 908H, 3.2–3.8 ppm, multiplet; -OCH(CH₃)COO-, 4H/PLA repeat, 5.2–5.3 ppm, multiplet; -OCH(CH₃)COO-, 12H/PLA repeat, 1.4–1.6 ppm, multiplet). PEGPLA NMR analysis revealed m ~ 1 (PEGPLA₁; 1:2), ~ 3 (PEGPLA₃; 1:6), and ~ 4 (PEGPLA₄; 1:8) (Bruker Avance 400 MHz, CDCl₃). Subsequent methacrylation of PEG (non-degradable control), PEGPLA_1, PEGPLA_3, and PEGPLA₄ was performed as previously described to generate PEGPLA₁DM, PEGPLA₃DM, and PEGPLA₄DM, respectively (22 (link), 44 (link)). ¹H-NMR was used to determine the number of methacrylate functional groups per PEG macromer (CH₂=C(CH₃)-, 4H/macromer, 5.6 and 6.3 ppm, singlets; CH₂=C(CH₃)-, 6H/macromer, 1.9 ppm, singlet) and the percent methacrylation was determined to be >95%.

Hoffman M.D., Van Hove A.H, & Benoit D.S. (2014). Degradable Hydrogels for Spatiotemporal Control of Mesenchymal Stem Cells Localized at Decellularized Bone Allografts. Acta biomaterialia, 10(8), 3431-3441.

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