Dd2 500 mhz spectrometer

Manufactured by Agilent Technologies

Sourced in United States

The DD2 500 MHz spectrometer is a laboratory instrument designed for nuclear magnetic resonance (NMR) spectroscopy. It operates at a frequency of 500 MHz and is capable of performing high-resolution analysis of chemical samples.

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Lab products found in correlation

P 1020 digital, by Jasco (3 mentions) Silica gel, by Qingdao Marine Chemical (2 mentions) Ltq orbitrap xl spectrometer, by Thermo Fisher Scientific (2 mentions) κ carrageenan, by Merck Group (2 mentions) Spectrum bx ft ir spectrometer, by PerkinElmer (2 mentions) J 715 spectra polarimeter, by Jasco (1 mentions) Nicolet nexus 470 spectrophotometer, by Thermo Fisher Scientific (1 mentions) Sephadex lh 20, by Cytiva (1 mentions) Ltq orbitrap xl mass spectrometer, by Thermo Fisher Scientific (1 mentions) Octadecylsilyl silica gel, by YMC (1 mentions) Sl ion trap mass spectrometer, by Bruker (1 mentions) Du 640 spectrophotometer, by Beckman Coulter (1 mentions) L 2000 system, by Hitachi (1 mentions) Micromass q tof ultima global gaa076 lc mass spectrometer, by Waters Corporation (1 mentions) Jeoljn m ecp 600 spectrometer, by JEOL (1 mentions) Tensor 27 spectrophotometer, by Bruker (1 mentions) Ods a, by YMC (1 mentions) Lcms 2020, by Shimadzu (1 mentions) Qci cryoprobe, by Bruker (1 mentions) J 1500 circular dichroism spectrophotometer, by Jasco (1 mentions)

Close spelling variants of this product

500 MHz spectrometer (75 citations) DD2 spectrometer (37 citations) DD2 500 (20 citations) DD2 500 MHz NMR spectrometer (14 citations) Spectrometers (10 citations) Agilent 500 MHz DD2 spectrometer (8 citations) DD2 500 MHz (6 citations) Agilent DD2 500 MHz NMR spectrometer (4 citations) DD2-500 spectrometer (3 citations) 500 spectrometers (2 citations)

22 protocols using dd2 500 mhz spectrometer

Spectroscopic Analysis of Organic Compounds

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UV spectra were recorded on Waters 2487. IR spectra were recorded on a Nicolet NEXUS 470 spectrophotometer in KBr discs (Thermo Scientific, Beijing, China). Optical rotations were measured on a JASCO P-1020 digital polarimeter (JASCO Corporation, Tokyo, Japan). HRESIMS and ESIMS data were obtained on a Thermo Scientific LTQ Orbitrap XL mass spectrometer. ECD spectra were measured on a JASCO J-715 spectra polarimeter (JASCO Corporation, Tokyo, Japan). NMR spectra were recorded on an Agilent 500 MHz DD2 spectrometer using TMS as the internal standard, and the chemical shifts were recorded as δ values. Semi-preparative HPLC was performed on an ODS column (HPLC (YMC-Pack ODS-A, 10 × 250 mm, 5 μm, 3 mL/min)). MPLC was performed on a Bona-Agela CHEETAHTM HP100 (Beijing Agela Technologies Co., Ltd., Beijing, China). Column chromatography (CC) was performed with silica gel (200–300 mesh, Qingdao Marine Chemical Inc. Qingdao, China) and Sephadex LH-20 (Amersham Biosciences, San Francisco, CA, USA), respectively.

Ge X., Sun C., Feng Y., Wang L., Peng J., Che Q., Gu Q., Zhu T., Li D, & Zhang G. (2019). Anthraquinone Derivatives from a Marine-Derived Fungus Sporendonema casei HDN16-802. Marine Drugs, 17(6), 334.

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Comprehensive Analytical Characterization

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UV spectra were recorded on a Beckman DU 640 spectrophotometer in MeOH solution. IR spectra were measured on a Nicolet Nexus 470 spectrophotometer in KBr disks. 1D and 2D NMR spectra were recorded on an Agilent 500 MHz DD2 spectrometer using TMS as an internal standard. ESIMS and HRESIMS spectra were performed on a Thermo Scientific LTQ Orbitrap XL spectrometer. HPLC–MS/MS were carried out on a Waters2695 HPLC instrument, coupled with an amaZon SL ion trap Mass spectrometer (Bruker), with a Xchange C18 column [(Acchrom Co.) 250 mm × 4.6 mm, 5 μm, 0.5 mL/min]. Semi-preparative HPLC was performed on a Hitachi L-2000 system (Hitachi Ltd.) using a C18 column [(Eka Ltd.) Kromasil 250 mm × 10 mm, 5 μm, 2.0 mL/min]. Silica gel (Qingdao Haiyang Chemical Group Co., 200–300 mesh), octadecylsilyl silica gel (YMC Co., Ltd., 45 − 60 μm).

Han Y.Q., Zhang Q., Xu W.F., Hai Y., Chao R., Wang C.F., Hou X.M., Wei M.Y., Gu Y.C., Wang C.Y, & Shao C.L. (2023). Targeted isolation of antitubercular cycloheptapeptides and an unusual pyrroloindoline-containing new analog, asperpyrroindotide A, using LC–MS/MS-based molecular networking. Marine Life Science & Technology, 5(1), 85-93.

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Spectroscopic Characterization of Novel Compounds

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Specific rotations were obtained on a JASCO P-1020 digital polarimeter. UV spectra were recorded on a HITACHI 5430. IR spectra were measured on a Bruker Tensor-27 spectrophotometer in KBr discs. NMR spectra were recorded on a JEOLJN M-ECP 600 spectrometer (JEOL, Tokyo, Japan) or an Agilent 500 MHz DD2 spectrometer using tetramethylsilane as an internal standard. HRMS were obtained on a Thermo Scientific LTQ Orbitrap XL mass spectrometer (Thermo Fisher Scientific, Waltham, MA, USA) or Micromass Q-TOF ULTIMA GLOBAL GAA076 LC mass spectrometer (Waters Corporation, Milford, MA, USA). Semipreparative HPLC was performed on an ODS column (YMC-Pack ODS-A, 10 × 250 mm, 5 μm, 3 mL/min).

Wu Q., Chang Y., Che Q., Li D., Zhang G, & Zhu T. (2022). Citreobenzofuran D–F and Phomenone A–B: Five Novel Sesquiterpenoids from the Mangrove-Derived Fungus Penicillium sp. HDN13-494. Marine Drugs, 20(2), 137.

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Synthesis and Characterization of Organoboron Compounds

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All reagents and solvents were purchased from commercial suppliers and used without further purification. All reactions were monitored by TLC with GF254 silica gel coated plates. Purification of reaction products were carried out by chromatography using silica gel (200–300 mesh). The ¹H, ¹³C and ¹¹B NMR spectra were recorded on an Agilent 500 MHz DD2 spectrometer at 500 MHz (¹H), 126 MHz (¹³C) and 160 MHz (¹¹B) in d₆-DMSO, or CDCl₃ or D₂O using tetramethylsilane (TMS) or solvent residue as internal standard. All chemical shifts (δ) are reported in ppm and coupling constants (J) in Hz. Melting points were measured with SGC X-4 microscopic melting point meter and were uncorrected. Molecular weights were obtained using Shimadzu LCMS-2020 (ESI) instrument.

Li X., Liu Z., Hong H., Han L, & Zhu N. (2022). Catalyst-free reductive cyclization of bis(2-aminophenyl) disulfide with CO2 in the presence of BH3NH3 to synthesize 2-unsubstituted benzothiazole derivatives. RSC Advances, 12(28), 18107-18114.

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NMR and Spectroscopic Characterization Protocol

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¹H-NMR experiments were measured using a QCI CryoProbe and DUL probe on a Bruker AVANCE III 800 MHz (Bruker Corporation, Billerica, MA, USA) spectrometer at a temperature of 298.15 K, except that time-dependent ¹H-NMR and VT-NMR (253–298 K) were measured using 5 mm ID probe (Inverse Detect probe) on Agilent DD2 500 MHz spectrometer (Agilent Technologies, Inc., Santa Clara, CA, USA). All NMR titrations were performed in either CD₂Cl₂ or CH₂Cl₂ containing 10% CDCl₃ to lock. Data was processed with MestreNova (Version 14.1.2) software. The UV-vis absorption spectra were recorded with Varian Cary^® 50 UV-vis spectrophotometer (Agilent Technologies, Inc., Santa Clara, CA, USA). The CD spectra were recorded with a Jasco J-1500 circular dichroism spectrophotometer (JASCO International Co., Ltd., Tokyo, Japan). All the fluorescence measurements were recorded by Hitachi F-7000 fluorescence spectrophotometer (Hitachi, Ltd., Tokyo, Japan). All spectroscopic measurements were performed in CH₂Cl₂, and concentrations and spectral data are available in further detail in Supplementary Materials.

Šakarašvili M., Ustrnul L., Suut E., Nallaparaju J.V., Mishra K.A., Konrad N., Adamson J., Borovkov V, & Aav R. (2022). Self-Assembly of Chiral Cyclohexanohemicucurbit[n]urils with Bis(Zn Porphyrin): Size, Shape, and Time-Dependent Binding. Molecules, 27(3), 937.

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STD NMR Characterization of HasAp

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PAO1 ΔhasAp was cultured overnight from a single colony in LB. The cells were harvested by centrifugation and resuspended in M9 minimal media. Then, 10 mL of M9 were inoculated at A₆₀₀ ≈ 0.05 and grown for 3 h. The cell-free supernatant was obtained by centrifugation and subsequent filter sterilization by a 0.22 μM syringe filter. The supernatant was then used as the solvent for subsequent STD experiments. The final sample volume contained 600 μL of the supernatant with or without 10 μM HasAp (as a negative control) and 5% D₂O for solvent locking. The STD experiments were performed at 25 °C on an Agilent DD2 500 MHz spectrometer. The vendor-supplied pulse sequence, dpfgse_satxfer.c, was used, and the on- and off-resonance fids were subtracted in-place through phase-cycling to yield only the difference fid. Selective saturation was performed for 2.5 s and consisted of 50 ms Gaussian pulses separated by a 1 ms delay at a field strength of 50 Hz. A spectral width of 6000 Hz (12 ppm), a 90-degree pulse of 9.6 μs, and 16384 points were used to collect the data with a 0.5 s delay between transients. Transmitter offset was on the water signal. Solvent suppression was achieved via excitation sculpting. The selective irradiation on-resonance with the protein was at 1.5 ppm, and the off-resonance irradiation was at 25 ppm.

Centola G., Deredge D.J., Hom K., Ai Y., Dent A.T., Xue F, & Wilks A. (2020). Gallium(III)–Salophen as a Dual Inhibitor of Pseudomonas aeruginosa Heme Sensing and Iron Acquisition. ACS infectious diseases, 6(8), 2073-2085.

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STD-NMR Analysis of SF-3-030 Binding to ERK2

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Saturation transfer difference-NMR (STD-NMR) analysis of ligand binding to ERK2 was done as previously described for p38 MAPK (Shah et al., 2017 (link)). A 1 mM stock solution of SF-3-030 was made in 85% D₂O:15% d6-DMSO (v/v). STD-NMR samples contained 150 mM NaCl, 50 mM phosphate (pH 7), 200 μM SF-3-030, and 5 μM ERK2 protein in D₂O. Spectra of both compound and ligand bound protein were recorded on an Agilent DD2 500-MHz spectrometer equipped with a 5-mm inverse proton-fluorine-carbon-nitrogen probe head at 25°C. Further detailed methods of the NMR protocol used are provided in the Supplemental Data.

Martinez R I.I.I., Huang W., Samadani R., Mackowiak B., Centola G., Chen L., Conlon I.L., Hom K., Kane M.A., Fletcher S, & Shapiro P. (2021). Mechanistic Analysis of an Extracellular Signal–Regulated Kinase 2–Interacting Compound that Inhibits Mutant BRAF-Expressing Melanoma Cells by Inducing Oxidative Stress. The Journal of Pharmacology and Experimental Therapeutics, 376(1), 84-97.

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Comprehensive Characterization of Catalysts

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Rigaku D/MAX-2400 apparatus was operated at a scanning rate of 8° min⁻¹ to obtain the X-ray diffraction (XRD) patterns between the range of 2θ = 5–50° with CuKα radiation. The scanning electron microscopy (SEM) images were determined using a FEI Nova NanoSEM450. Transmission electron microscopy (TEM) images were obtained on a FEI Tecnai F30 instrument at 300 kV. A Nicolet is10 Fourier-transform infrared (FT-IR) spectrometer was used to characterize the hydroxyl vibrations between 4000–3200 cm⁻¹. Inductively coupled plasma (ICP) spectroscopy was used for the elemental analysis in Optima 2000 DV. Quantachrome AUTOSORB-1 apparatus was used to measure the nitrogen sorption isotherms at 77 K. The Brunauer–Emmett–Teller (BET), t-plot and Barrett, Joyner, and Halenda (BJH) methods were used to calculate and analyse the surface area and pore volume, respectively. To analyse the acidic strength distributions and total acidity of the catalysts, a Quantachrome CHEMBET-3000 instrument was used to obtain the NH₃-TPD profiles in He flow at a rate of 10 min⁻¹ to 650 °C. An Agilent DD2-500 MHz spectrometer was applied to record the ²⁷Al and ²⁹Si MAS NMR spectra using a spinning speed of 14 and 13 kHz, respectively. The chemical shifts were referenced to 1% Al(NO₃)₃ and tetramethylsilane aqueous solution, respectively.

Xiong G., Feng M., Liu J., Meng Q., Liu L, & Guo H. (2019). The synthesis of hierarchical high-silica beta zeolites in NaF media. RSC Advances, 9(7), 3653-3660.

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Analytical Methods for Compound Characterization

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Optical rotations were measured with a JASCO P-1020 digital polarimeter (Tokyo, Japan). UV spectra were obtained on a Lambda 35 UV/Vis spectrophotometer (Perkin Elmer, Waltham, United States). HRESIMS data were acquired with a scientific LTQ Orbitrap XL spectrometer (Thermo Scientific, Waltham, United States). 1D (500 and 125 MHz for ¹H and ¹³C, respectively) and 2D (HSQC, COSY, and HMBC) NMR spectra were performed by an Agilent DD2 500 MHz spectrometer (Agilent Technologies, Santa Clara, United States). X-ray diffraction data were collected on an Agilent Xcalibur Gemini E diffractometer equipped with Eos charge-coupled device (CCD) detector with graphite monochromated Cu Kα radiation (λ = 1.54178 Å). Column chromatography was undertaken by using various packing materials including silica gel (100-200/200-300 mesh, Qingdao Marine Chemical Factory, Qingdao, China), octadecylsilyl (ODS) reversed-phase gel (30-50 μm, YMC CO., Ltd., Japan), and Sephadex LH-20 (GE Healthcare, United States).

Weng W., Jiang S., Sun C., Pan X., Xian L., Lu X, & Zhang C. (2022). Cytotoxic secondary metabolites isolated from Penicillium sp. YT2019-3321, an endophytic fungus derived from Lonicera Japonica. Frontiers in Microbiology, 13, 1099592.

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Quantifying PEG Density on Nanoparticles

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The PEG density on nanoparticle surface (no. of PEG chains/100 nm²) and Γ/Γ*, where Γ is the PEG surface coverage over the total surface area (Γ*), were calculated from the ¹H integrals of the ethylene oxide peak of PEG, using a previously described method (36 (link)). Briefly, nanoparticles were lyophilized, weighed, and dissolved in CDCl₃ containing 0.1% (v/v) trimethylsilane as an internal standard. Nuclear magnetic resonance (NMR) spectra were obtained at 500 MHz using an Agilent DD2 500 MHz Spectrometer. A calibration curve was obtained by plotting the ¹H NMR integrals of various concentrations of 5 kDa PEG (~ 3.6 parts per million) in CDCl₃ solvent containing 0.1% (v/v) trimethylsilane. The average PEG density (no. of PEG chains/100 nm²) on the nanoparticle surface was calculated by taking the total quantity of PEG detected by NMR and the total nanoparticle surface area. The nanoparticle surface area was calculated, assuming that the particles are made of individual particles of diameter equal to that measured by the Zetasizer and using a PLGA density of 1.34 g/cm³.

Dancy J.G., Wadajkar A.S., Connolly N.P., Galisteo R., Ames H.M., Peng S., Tran N.L., Goloubeva O.G., Woodworth G.F., Winkles J.A, & Kim A.J. (2020). Decreased nonspecific adhesivity, receptor-targeted therapeutic nanoparticles for primary and metastatic breast cancer. Science Advances, 6(3), eaax3931.

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