400 spectrometer

Manufactured by JEOL

Sourced in Japan

The JEOL 400 spectrometer is a laboratory instrument used for analytical spectroscopy. It is designed to measure and analyze the interaction between matter and electromagnetic radiation, particularly in the ultraviolet, visible, and near-infrared regions of the spectrum. The core function of the 400 spectrometer is to provide highly accurate and reliable data for chemical and materials analysis.

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Lab products found in correlation

Agilent 1290 infinity lc system, by Agilent Technologies (1 mentions) P 1020 polarimeter, by Jasco (1 mentions) U 3010 spectrophotometer, by Hitachi (1 mentions) Uv 2600 uv vis spectrophotometer, by Shimadzu (1 mentions) Supernova diffractometer, by Rigaku (1 mentions) Companion system, by Teledyne (1 mentions) Lcms 2010ev, by Shimadzu (1 mentions) Wakogel c 200, by Fujifilm (1 mentions) Gc 8a, by Shimadzu (1 mentions) Ft ir 4100 spectrometer, by Jasco (1 mentions) Phorbol 12 myristate 13 acetate, by Maclin Biochemical Technology (1 mentions) Ms 5973, by Agilent Technologies (1 mentions) J w db 5ms, by Agilent Technologies (1 mentions) Vertex 70, by Bruker (1 mentions)

15 protocols using 400 spectrometer

Analytical Techniques for Chemical Characterization

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Optical rotations were measured on a JASCO P-1020 polarimeter (JASCO, Tokyo, Japan) using a 1 cm cell. UV spectra were acquired with a Hitachi U-3010 spectrophotometer (Hitachi, Tokyo, Japan). NMR spectra were recorded on a JEOL 400 spectrometer (JEOL, Tokyo, Japan). Proton and carbon NMR spectra were measured in MeOH-d₄ and CDCl₃ solutions at 400 and 100 MHz, respectively. High-resolution electrospray ionization mass spectrometry (HRESIMS) data were acquired using the Agilent 1290 Infinity LC System (Agilent, Palo Alto, USA) coupled with the Agilent 6540 Ultra High Definition Accurate-Mass Q-TOF LC/MS (Agilent, Palo Alto, USA). HPLC measurements were performed on an Essentia Pre LC-16P (Essentia, Kyoto, Japan) equipped with a UV detector. All solvents used were of spectroscopic grade or distilled from glass prior to use.

Liao L., Zhang X., Lou Y., Zhou C., Yuan Q, & Gao J. (2019). Discovery of Three New Phytotoxins from the Fungus Aspergillus nidulans by Pathway Inactivation. Molecules, 24(3), 515.

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NMR Analysis of DB and PRS

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DB (5.0 mg), extracted PRS (10.0 mg), or DB (5.0 mg) and extracted PRS (10.0 mg) were dissolved in 0.6 mL of deuterated water (D₂O). The ¹H NMR spectrum of each sample was recorded at 400 MHz with a JEOL-400 spectrometer (JEOL Ltd., Tokyo, Japan).

Makita Y., Ishida T., Kobayashi N., Fujio M., Fujimoto K., Moritomo R., Fujita J.I, & Fujiwara S.I. (2016). Evaluation of the Bitterness-Masking Effect of Powdered Roasted Soybeans. Foods, 5(2), 44.

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Phytochemical Profiling of Natural Compounds

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TLC profiles of S.F.2 was done using RP-18 F₂₅₄ as the stationary phase and CH₃CN-MeOH-H₂O (2:1:4 v/v) as the mobile phase. S.F.4.2 and S.F.8.3 were identified using TLC with silica gel F₂₅₄ as stationary phase and CHCl₃-MeOH (9:1 v/v) as mobile phase. The spots were detected under ultraviolet (UV) (254 and 366 nm) before spraying using 10% H₂SO₄ in EtOH, and followed by heating the plate at 120°C and then detected under UV 366 nm and visible light. High-performance liquid chromatography (HPLC) chromatogram profile was performed using Shimadzu LC-06, with RP Shim-pack column 4.6 mm × 250 mm as stationary phase, and CH₃CN-MeOH (7:3 v/v) as mobile phase with a flow rate of 0.7 ml/min, and was detected using UV detector.
Nuclear magnetic resonance (NMR) spectra were performed using JEOL 400 spectrometer, with tetramethylsilane as internal standard for ¹H, ¹³C NMR, heteronuclear multiple bond correlation (HMBC), and heteronuclear multiple quantum coherence. Compound 1 and 2 were measured using D6 methanol solvent; compound 3 was measured using D6 acetone solvent. The structural determination of compound 1, 2, and 3 was confirmed by comparing the results of NMR and UV data reported in the literature.[6 7 8 (link)9 10 (link)11 (link)]

Khasanah U., WidyaWaruyanti A., Hafid A.F, & Tanjung M. (2017). Antiplasmodial Activity of Isolated Polyphenols from Alectryon serratus Leaves Against 3D7 Plasmodium falciparum. Pharmacognosy Research, 9(Suppl 1), S57-S60.

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Synthesis and Characterization of Compounds

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Commercially available chemicals for synthesis were purchased from Wako (Richmond, VA, USA), TCI (Tokyo, Japan) or Sigma-Aldrich (St. Louis, MO, USA) and used as received. NMR spectra were recorded on a JEOL 400 spectrometer (Tokyo, Japan) at room temperature using tetramethylsilane (TMS) as internal standard (δ = 0 ppm). Mass spectrum was obtained on a Thermo Scientific Exactive (Waltham, MA, USA) under electrospray ionization (ESI) condition. Melting point was measured with a Yamato MP-21 apparatus. Detail procedures of synthesis and characterization are described in the Supplementary Information.

Li G., Li J., Otsuka Y., Zhang S., Takahashi M, & Yamada K. (2020). A BODIPY-Based Fluorogenic Probe for Specific Imaging of Lipid Droplets. Materials, 13(3), 677.

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Structural Characterization of Compounds

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The XRD-data was collected on a Bruker APEX-II D8 diffractometer. The NMR spectra were run in DMSO-d₆ using Jeol-400 spectrometer. All the chemicals were purchased from Sigma.

Altowyan M.S., Barakat A., Al-Majid A.M., Ghabbour H.A., Zarrouk A, & Warad I. (2019). Vibrational spectral analysis, XRD-structure, computation, exo⇔endo isomerization and non-linear optical crystal of 5-((5-chloro-1H-indol-2-yl)methylene)-1,3-diethyl-2-thioxodihy-dropyrimidine-4,6 (1H,5H)-dione. BMC Chemistry, 13(1), 11.

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Spectroscopic Characterization of MPB

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The ¹H nuclear magnetic resonance (NMR) spectra were recorded on a JEOL-600 spectrometer (Tokyo, Japan) at room temperature, using CDCl₃ as the solvent. The ¹³C NMR spectra were recorded on a JEOL-400 spectrometer (Tokyo, Japan) at room temperature, using CDCl₃ as the solvent. UV−visible (UV–VIS) spectra of the solutions were measured with a UV-2600 UV−VIS spectrophotometer (Shimadzu, Kyoto, Japan) at room temperature. Single crystal X-ray diffraction data of MPB were collected on a SuperNova diffractometer (Rigaku, Tokyo, Japan) with Mo Kα radiation (λ = 0.71073 Å).

Xie W., Deng J., Bai Y., Xiao J, & Wang H. (2023). Hydrogen-Bonding-Driven Nontraditional Photoluminescence of a β-Enamino Ester. Molecules, 28(16), 5950.

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NMR Analysis of Rubber in Roots

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For carrying research on NMR analysis, samples of plants were selected on previously discovered regions of Karatau mountains (at an altitude of 1500 m), where the population with the highest (38.75%) amount of rubber in roots is located. The rubber was extracted and purified in accordance with a simplified method that is described above.
In the present study, 1D-and 2D-NMR measurements were performed to analyze the structure of rubber, that accumulated in roots of S. tau-saghyz. One-dimensional 1 H, 13 C, DEPT NMR spectra and two-dimensional homonuclear correlation spectra COSY 1 H-1 H and heteronuclear correlation HMQC 1 H-13 C and HMBC 1 H-13 C of biopolymer were obtained on the JNM-ECA JEOL 400 spectrometer (JEOL, Tokyo, Japan) at 399.78 and 100.53 MHz on protons and carbon atoms respectively using a solvent of CDCl 3 .
Chemical shifts are measured relative to the residual protons or carbon atoms of the deuterated solvent. To obtain NMR spectra 60 mg of the biopolymer sample was dissolved in 0.6 ml of deuterated chloroform and placed in a 5 mm glass ampoule. Spectra were obtained at 25 °C.

Богуспаев К.К., Turasheva S.K., Сейлханов Т.М., Faleev D.G., Mutalkhanov M., & Portnoy V. (2020). Rapid Rubber Extraction and NMR Spectroscopy of Rubber, Extracted from the Endemic Species Scorzonera Tau-Saghyz. Eurasian Chemico-Technological Journal, 22(1), 59-59.

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Characterization of Organic Compounds

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Unless otherwise noted, all solvents and other reagents are commercially available and used without further purification. Purity and characterization of compounds were established by a combination of liquid chromatography-mass spectroscopy (LC-MS) and NMR analytical techniques and was >95% for all compounds. Silica gel column chromatography was carried out using prepacked silica cartridges from RediSep (ISCO Ltd.) and eluted using an Isco Companion system. Melting points were reordered on a MEL-TEMP^® apparatus and are uncorrected. ¹H- and ¹³C-NMR spectra were obtained on a Jeol 400 spectrometer at 400 MHz and 100 MHz, respectively. Chemical shifts are reported in δ (ppm) relative to residual solvent peaks or TMS as internal standards. Coupling constants are reported in Hz. High-resolution ESI-TOF mass spectra were acquired from the Mass Spectrometry Core at The Sanford-Burnham Medical Research Institute (Orlando, Florida). HPLC-MS analyses were performed on a Shimadzu 2010EV LCMS using the following conditions: Kromisil C18 column (reverse phase, 4.6 mm × 50 mm); a linear gradient from 10% acetonitrile and 90% water to 95% acetonitrile and 5% water over 4.5 min; flow rate of 1 mL/min; UV photodiode array detection from 200 to 300 nm. Continuous flow (microreactor) experiments were carried out using a Vapourtec R Series Flow Chemistry System.

Dhanya R.P., Herath A., Sheffler D.J, & Cosford N.D. (2018). A Combination of Flow and Batch Mode Processes for the Efficient Preparation of mGlu2/3 Receptor Negative Allosteric Modulators (NAMs). Tetrahedron, 74(25), 3165-3170.

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Palladium-Catalyzed Arylation of Diarymethanols

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All the reagents and solvents were commercially available and used as received. The ¹H NMR spectra were measured on a JEOL 400 spectrometer at 400 MHz with TMS as an internal standard. The ¹³C NMR spectra were measured on a JEOL 400 spectrometer at 100 MHz. The IR spectra were recorded on a JASCO FT/IR-4100 spectrometer. The melting points were determined on an As-one melting-points apparatus ATM-02, and were uncorrected. High-resolution mass spectra were obtained on an AB SCEIX Triplet TOF 4600 mass spectrometer. Gas chromatography (GC) was performed with Shimadzu GC 8A. Flash column chromatography was performed with Wako-gel C-200 (100–200 mesh, Wako).
Theoretical calculations for the complexes were carried out with 16W software.¹⁴ Optimizations of the ground-state geometries of the complexes were performed by using the this pro density functional theory (DFT).^{15 (link)} The LanL2DZ^{16 (link)} and 6-31G(d,p)^{17 (link)} basis sets were used to treat the palladium and all other atoms, respectively. Optimized geometries of the complexes were plotted using GaussView 6.0.¹⁸All diarylmethanes 6, 11 and 12 are commercially available. Hence, the structures of these products were confirmed by comparison of spectral data with those of authentic samples.

Ohsumi M., Ito A, & Nishiwaki N. (2018). Substrate switchable Suzuki–Miyaura coupling for benzyl ester vs. benzyl halide. RSC Advances, 8(61), 35056-35061.

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Characterization of Reaction Mixtures

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¹H-NMR spectroscopy measurements were performed on a Jeol 400 spectrometer (resonance frequency of 400.13 MHz for ¹H). CDCl₃ was used as NMR spectroscopy solvent unless otherwise specified (see Figure S1 for the assigned ¹H-NMR spectra of a typical reaction).

Pellis A., Guebitz G.M, & Farmer T.J. (2016). On the Effect of Microwave Energy on Lipase-Catalyzed Polycondensation Reactions. Molecules, 21(9), 1245.

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