Inova 500

Manufactured by Bruker

Sourced in United States

The Inova 500 is a high-performance nuclear magnetic resonance (NMR) spectrometer manufactured by Bruker. It is designed to provide reliable and accurate analysis of chemical structures and molecular properties. The Inova 500 features a 500 MHz superconducting magnet and advanced electronics to deliver high-resolution NMR data.

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Lab products found in correlation

Nicolet 5700 ftir spectrometer, by Thermo Fisher Scientific (2 mentions) Microtof 2 mass spectrometer, by Bruker (2 mentions) Ascend 3 hd 500, by Bruker (2 mentions) Unity plus 300, by Agilent Technologies (2 mentions) Agilent 5973 c insert xl msd mass spectrometer, by Agilent Technologies (1 mentions) B 545, by Büchi (1 mentions) Avance 300 mhz, by Bruker (1 mentions) Ascend 400, by Bruker (1 mentions) Toledodsc3 calorimeter, by Mettler Toledo (1 mentions) Inova 400, by Agilent Technologies (1 mentions) Gcms qp2010 mass spectrometer, by Shimadzu (1 mentions) Avance 400, by Bruker (1 mentions) Dpx 400, by Bruker (1 mentions) V 750 spectrometer, by Jasco (1 mentions) Axioscop, by Zeiss (1 mentions) Avance av400, by Bruker (1 mentions) Mat 95 xp mass spectrometer, by Thermo Fisher Scientific (1 mentions) Mercury plus 300, by Bruker (1 mentions) Akta basic system, by GE Healthcare (1 mentions) Biotin teg phosphoramidite, by Glen Research (1 mentions)

15 protocols using inova 500

NMR Characterization of Chemical Compounds

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All chemicals were purchased from Merck or Fuluka chemical companies. ¹H-NMR (500 and 300 MHz) and ¹³C-NMR (125 and 75 MHz) spectra were run on a Varian—Inova 500 and Bruker Avance 300 MHz instrument in DMSO-d₆. IR spectra were recorded using an FTIR apparatus. Melting points were recorded as a Buchi B-545 apparatus in open capillary tubes. Mass spectra were recorded with an Agilent-5973 C insert XL MSD mass spectrometer (Ringoes, NJ) operating at an ionization potential of 70 eV. Reaction progress was screened by TLC using silica gel polygram SIL G/UV254 plates.

Pourtaher H., Hasaninejad A, & Iraji A. (2022). Design, synthesis, in silico and biological evaluations of novel polysubstituted pyrroles as selective acetylcholinesterase inhibitors against Alzheimer’s disease. Scientific Reports, 12, 15236.

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Characterization of Azomaterial Thin Films

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All of the reagents were commercially
available and used without
further purification. ¹H and ¹³C NMR spectra
were recorded on Varian Inova 500 (500 MHz) and Bruker Ascend 400
(400 MHz) spectrometers. DSC diagrams were recorded on a METTLER TOLEDO
DSC3+ calorimeter. UV–visible spectra were recorded with a
JASCO V-750 spectrometer. The FT-IR measurements were performed on
a Thermo Nicolet 5700 FT-IR spectrometer. Solid samples were dispersed
in KBr tablets, azomaterials were cast from solution. Ellipsometry
data were collected using a commercially available M-2000 Spectroscopic
Ellipsometer (J. A. Woollam). Data analysis was performed using Complete
EASE software (version 6.57). Topographic analysis of the structured
surfaces was performed by an AFM (WITEC α RS300) operating in
tapping mode with a cantilever of 75 kHz resonance frequency and spring
constant of 3 N/m. Analysis and elaboration of AFM data were accomplished
by means of the open-source software Gwyddion. Thin films of azomaterials
were prepared by spin-coating DMF solutions on glass substrates, using
a Laurell WS-650Mz-23NPP spin coater.

Fusco S., Oscurato S.L., Salvatore M., Reda F., Moujdi S., De Oliveira M., Ambrosio A., Centore R, & Borbone F. (2023). Efficient High-Refractive-Index Azobenzene Dendrimers Based on a Hierarchical Supramolecular Approach. Chemistry of Materials, 35(9), 3722-3730.

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Photoreaction Characterization Techniques

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The solvents were used without further purification. Pyrrolidine was previously distilled. Other commercially available materials were used as received. The photoreactions were monitored using Shimadzu GC-MSQP2010 mass spectrometer and thin layer chromatography. The TLC was carried out on Merck silica gel (60 F254) and flash chromatography was performed in silica gel (230–400 mesh). The NMR spectra were recorded on 400 MHz and 500 MHz spectrometer Varian Inova 400, Varian Inova 500 and Bruker Avance 400. Chemical shifts (δ) are expressed in ppm downfield from tetramethylsilane (TMS) as internal standard. Hydrogen coupling patterns are described as singlet (s), doublet (d), double doublet (dd), double triplet (dt), triplet (t), double quartet (dq), quartet (q), multiplet (m). Coupling constants (J) are reported in Hertz. Low-resolution mass spectra were obtained with a Shimadzu GC-MSQP2010 mass spectrometer. GC analysis were conducted on a RESTEC HP-5MS capillary column (30 m, 0.25 mm id, 0.25 μm film thickness) using the products dissolved in ethyl acetate. High-resolution mass spectra were obtained in a Micromass Q-Tof micro mass spectrometer.

Dalberto B.T, & Schneider P.H. (2020). Photoinduced metal-free α-selenylation of ketones. RSC Advances, 10(18), 10502-10509.

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NMR Characterization of Organometallic Compounds

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¹H, ¹³C, ¹⁴N, or ¹⁹⁵Pt NMR spectra were acquired on either a Varian Inova-500 or a Bruker DPX-400 spectrometer in the MIT Department of Chemistry Instrumentation Facility (DCIF) at room temperature. Resonant absorptions are reported as chemical shifts (δ) in ppm with respect to tetramethylsilane (¹H and ¹³C), NH₄Cl (¹⁴N), or Na₂PtCl₆ (¹⁹⁵Pt). NMR spectra were referenced to residual solvent signals (¹H and ¹³C), an external solution of NH₄Cl in 0.1 M HCl (¹⁴N δ = 0 ppm), or an external solution of K₂PtCl₄ in D₂O (¹⁹⁵Pt δ = −1628 ppm). ¹⁴N NMR spectra were acquired for 1 and 2 but not 3–6.¹⁸ Elemental analyses for the previously unreported compounds 4–6 were provided by a commercial laboratory. Combustion analyses were not carried out for the known compounds 1–3.

Johnstone T.C., Alexander S.M., Wilson J.J, & Lippard S.J. (2014). Oxidative Halogenation of Cisplatin and Carboplatin: Synthesis, Spectroscopy, and Crystal and Molecular Structures of Pt(IV) Prodrugs. Dalton transactions (Cambridge, England : 2003), 44(1), 119-129.

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Synthesis and Characterization of Azopolymers

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All the reagents were commercially available and used without further purification: p-toluidine, 2-amino-4,6-dimethoxypyrimidine, tetrafluoroboric acid 48% aq. sol. (Alfa Aesar), p-anisidine, polyacrylic acid average M_w 1800 (Merck). Optical observations were performed by using a Zeiss Axioscop polarizing microscope equipped with a FP90 Mettler heating stage. ¹H and ¹³C NMR spectra were recorded on Varian Inova 500 (500 MHz) and Bruker Avance III TM HD (400 MHz) spectrometers. UV-Visible spectra were recorded with a JASCO V-750 spectrometer. The FT-IR measurements were performed on a Thermo Nicolet 5700 FT-IR spectrometer. Solid samples were dispersed in KBr tablets, polymeric materials were cast from solutions. Thin films of azopolymers were prepared by spin coating DMF solutions of the polymers on glass substrates, using a Laurell WS-650Mz-23NPP spin coater.

Borbone F., Oscurato S.L., Del Sorbo S., Pota F., Salvatore M., Reda F., Maddalena P., Centore R, & Ambrosio A. (2021). Enhanced photoinduced mass migration in supramolecular azopolymers by H-bond driven positional constraint. Journal of Materials Chemistry. C, 9(34), 11368-11375.

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Purification and Characterization of Organic Compounds

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Chemicals were obtained from Materials and Instrumentation. Chemicals were purchased from Aldrich Chemical Co. (Milwaukee, WI), TCI America (Portland, OR) and Alfa Aesar (Ward Hill, MA), and used without further purification unless otherwise indicated. Purifications by column chromatography were carried out over silica gel (300−400 mesh) and monitored by thin layer chromatography (TLC) performed on GF/UV 254 plates and were visualized using UV light at 254 and 365 nm. Melting points were determined using a SGW X-4 digital melting point apparatus, and the temperatures were not corrected. IR spectra were determined on an EQUINOX 55 Fourier transformation infrared spectrometer. ¹H and ¹³C NMR spectra were recorded on Varian INOVA 500, Bruker AVANCE AV400, or Mercury-Plus 300 NMR spectrometer in CDCl₃, DMSO-d₆, or Acetone-d₆ and TMS as an internal standard. Chemical shifts were expressed as values (ppm) relative to tetramethylsilane as an internal standard, and coupling constants (J values) were given in hertz (Hz). Abbreviations are used as follows: s = singlet, d = doublet, t = triplet, q = quartet, m = multiplet, dd = doublet of doublet, doublet of doublet of doublets (ddd), br = broad. High resolution (HR) mass spectra were measured on Thermo MAT95XP mass spectrometer.

Cai C.Y., Zhai H., Lei Z.N., Tan C.P., Chen B.L., Du Z.Y., Wang J.Q., Zhang Y.K., Wang Y.J., Gupta P., Wang B, & Chen Z.S. (2019). Benzoyl Indoles with Metabolic Stability as Reversal Agents for ABCG2-Mediated Multidrug Resistance. European journal of medicinal chemistry, 179, 849-862.

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Spectroscopic Characterization of Compounds

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Proton (¹H-NMR) and carbon (¹³C-NMR) nuclear resonance spectra were recorded on Varian UnityPlus 300 (300 MHz for ¹H, 75 MHz for ¹³C), Varian INOVA 500 (500 MHz for ¹H, 125 MHz for ¹³C), and Bruker Ascend 500 III HD (500 MHz for ¹H, 125 MHz for ¹³C) NMR spectrometers. High resolution mass spectra were recorded on a Bruker micrOTOF II mass spectrometer using electrospray ionization (ESI). Analytical TLC was performed on EMD aluminum-backed 250 μm silica gel 60 F₂₅₄ and on EMD aluminum-backed 250 μm neutral aluminum oxide 60 F₂₅₄ plates. Analytical TLC visualization was done under UV light (254 nm) or using conventional staining methods (I₂, CAM, ninhydrin, sulfuric acid charring, and so on). Preparatory scale TLC (P-TLC) was done using SiliCycle glass-backed 1000 and 2000 μm silica gel 60 F₂₅₄ plates. Flash column chromatography (FCC) was done by using either SiliCycle SiliaFlash P60 silica gel (40–63 μm, mesh 230–400) or Aldrich neutral aluminum oxide (Brockman I, 150 mesh, 58 Å). Anhydrous solvents for reactions were procured from commercial sources except for THF (purified using an Innovative Technologies SPS-100-2 solvent purification system) and CHCl₃ (distilled from P₂O₅).

Turkyilmaz S., Rice D.R., Palumbo R, & Smith B.D. (2014). Selective recognition of anionic cell membranes using targeted liposomes coated with zinc(ii)-bis(dipicolylamine) affinity units †Electronic supplementary information (ESI) available: Spectral data, liposome characterization and cell toxicity data. See DOI: 10.1039/c4ob00924j Click here for additional data file.. Organic & Biomolecular Chemistry, 12(30), 5645-5655.

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Thrombin-Binding Aptamer Synthesis

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Standard solvents and reagents were purchased from either Sigma-Aldrich, Chemgenes or Alfa Aesar. 5′-O-(4,4′-Dimethoxytrityl)-5-(3-trifluoroacetylamino-1-propenyl)-2′-deoxyuridine was purchased from Hongene Biotechnology. 0.5 M (1S)-(+)-(10-Camphorsulfonyl)-oxaziridine (CSO) and biotinTEG phosphoramidite were purchased from Glen Research. Sulfo-NHS-acetate was purchased from ThermoFisher Scientific. Thin layer chromatography was carried out on silica gel 60 F₂₅₄ from either Selecto Scientific (flexible plates) or Fluka (aluminum plates). Flash chromatography was performed on Fluka silica (230–400 mesh). NMR was performed on either a Varian Inova 500 or Bruker 600 MHz instrument. ¹H NMR spectra were referenced to the signal of the solvent, and ³¹P NMR used 2% phosphoric acid as an external reference. FPLC (fast protein liquid chromatography) and HPLC (high performance liquid chromatography) were performed on an AKTA Basic System from GE Healthcare. The protein used in this investigation was human α-thrombin (Haematologic Technologies). The protein was handled according to the manufacturer's recommendations and aliquots were stored at −80°C. The aptamers were stored at −20°C.

Dolot R., Lam C.H., Sierant M., Zhao Q., Liu F.W., Nawrot B., Egli M, & Yang X. (2018). Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity. Nucleic Acids Research, 46(9), 4819-4830.

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Antimicrobial Activity Screening of Natural Product Extracts

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Liquid cultures or agar plates were extracted with ethyl acetate. The solvent was evaporated and the residue was dissolved in DMSO. Extracts were fractionated using a modular preparative high-performance liquid chromatography (HPLC) system (Shimadzu) using a C18 reversed phase Reprosil column (10 μm, 120 Å, 250 × 22 mm). The mobile phase was 0.1% trifluoroacetic acid in water (buffer A) and 0.1% trifluoroacetic acid in acetonitrile (buffer B) in a linear gradient. Fractions were collected, dried in an Eppendorf speedvac concentrator, dissolved in DMSO and tested for antimicrobial activities.
The identification procedure was performed as previously described^{20 (link)} using preparative HPLC (Shimadzu) using a Shimadzu Shim-pack GISTC18-HP reversed phase column (3 μm, 4.6 × 100 mm) coupled to a LCMS-2020 mass spectrometer (Shimadzu). High resolution mass spectrometry (HRMS) was measured on either a µQTOF instrument (Micromass Ltd) or an LCT instrument (Micromass Ltd). Samples were dissolved in DMSO-d₆ or CDCl₃ for NMR spectroscopy. ¹H-NMR, HSQC, HMBC and COSY spectra were measured at either 300 MHz, 400 MHz, 500 MHz or 600 MHz using either a Mercury-300, an Agilent-400, an INOVA-500 or a Bruker-600 spectometer. ¹³C-NMR was measured using the same instruments at either 100 MHz or in case the Bruker-600 instrument was used at 150 MHz.

Ouyang X., Hoeksma J., van der Velden G., Beenker W.A., van Triest M.H., Burgering B.M, & den Hertog J. (2021). Berkchaetoazaphilone B has antimicrobial activity and affects energy metabolism. Scientific Reports, 11, 18774.

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Synthesis of InoAz Derivatives

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3- and 4-InoAz were synthesized as reported by Ausmus et al.^{31 (link)} 5-InoAz was synthesized as reported by Ravi et al.^{32 (link)}¹H and ¹³C NMR spectral data for intermediates and products were acquired on either Varian Mercury 300, Varian Inova 500, or Bruker Avance Neo 500 systems, and matched the literature.

Hodges H., Obeng K., Avanzi C., Ausmus A.P., Angala S.K., Kalera K., Palcekova Z., Swarts B.M, & Jackson M. (2023). Azido inositol probes enable metabolic labeling of inositol-containing glycans and reveal an inositol importer in mycobacteria. ACS chemical biology, 18(3), 595-604.

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