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Ultrashield 400 plus spectrometer

Manufactured by Bruker
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The Ultrashield 400 Plus spectrometer is a laboratory equipment product manufactured by Bruker. It is designed to perform nuclear magnetic resonance (NMR) spectroscopy. The core function of this spectrometer is to analyze the structure and composition of chemical samples through the detection and measurement of nuclear magnetic resonances.

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Lab products found in correlation

3200 q trap, by Thermo Fisher Scientific (3 mentions) Nicolet is10 ft ir spectrometer, by Thermo Fisher Scientific (1 mentions) Microsorb mv c18 100 5 column, by Agilent Technologies (1 mentions) Prostar 210 system, by Agilent Technologies (1 mentions) Quattro 2 triple quadrupole mass spectrometer, by Waters Corporation (1 mentions) Nicolet 6700, by Thermo Fisher Scientific (1 mentions) Optimelt automated melting point system, by Thermo Fisher Scientific (1 mentions)

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400 spectrometer (95 citations) Bruker spectrometers (71 citations) Ultrashield 400 Plus (18 citations) Ultrashield 400 (17 citations) 400 Ultrashield spectrometer (16 citations) Ultrashield Plus 400 MHz spectrometer (8 citations)

8 protocols using ultrashield 400 plus spectrometer

1

Purification and Characterization of Organic Compounds

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All solvents and reagents were purchased from either Sigma-Aldrich or Alfa Aesar and were used as received without further purification. Melting points were measured on a MPA100 OptiMelt automated melting point apparatus without correction. IR spectra were recorded on a Thermo Scientific Nicolet iS10 FT-IR spectrometer. Analytical thin-layer chromatography (TLC) analyses were carried out on Analtech Uniplate F254 plates, and FCC was performed over silica gel (230–400 mesh, Merck). 1H (400 MHz) and 13C (100 MHz) nuclear magnetic resonance (NMR) spectra were recorded on a Bruker Ultrashield 400 Plus spectrometer, and chemical shifts were expressed in ppm. Mass spectra were obtained on an Applied BioSystems 3200 Q trap with a turbo V source for TurbolonSpray. Analytical reversed-phase high-performance liquid chromatography (HPLC) was performed on a Varian ProStar 210 system using the Agilent Microsorb-MV 100–5 C18 column (250 × 4.6 mm). All analyses were conducted at ambient temperature with a flow rate of 0.8 mL/min. Mobile phase is acetonitrile/water (90/10) with 0.1% trifluoroacetic acid (TFA). The UV detector was set up at 210 nm. Compound purities were calculated as the percentage peak area of the analyzed compound, and retention times (Rt) were presented in minutes. The purity of all newly synthesized compounds was identified as ≥95%.
Shahabuddin M., Toyoshima T., Aikawa M, & Kaslow D.C. (1993). Transmission-blocking activity of a chitinase inhibitor and activation of malarial parasite chitinase by mosquito protease.. Proceedings of the National Academy of Sciences of the United States of America, 90(9), 4266-4270.
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2

Characterization of Organic Compounds

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Chemical reagents were purchased from Sigma-Aldrich, Alfa Aesar, Combi-blocks, or AK Scientific and used without further purification. TLC analyses were carried out on Analtech Uniplate F254 plates. Chromatographic purification was accomplished on silica gel columns (230–400 mesh, Bodman). IR spectra were recorded on a Nicolet Avatar 360 FT-IR Instrument with ATR attachment. 1H (400 MHz) and 13C (100 MHz) nuclear magnetic resonance (NMR) spectra were acquired on a Bruker Ultrashield 400 Plus spectrometer. HREIMS analysis was performed on a Quattro II triple quadrupole mass spectrometer, a Waters Micromass QTOF-II instrument (ESI source), or an Applied Bio Systems 3200 Q trap with a turbo V source for TurbolonSpray.
Arnatt C.K., Falls B.A., Yuan Y., Raborg T.J., Masvekar R.R., El-Hage N., Selley D.E., Nicola A.V., Knapp P.E., Hauser K.F, & Zhang Y. (2016). Exploration of Bivalent Ligands Targeting Putative Mu Opioid Receptor and Chemokine Receptor CCR5 Dimerization. Bioorganic & medicinal chemistry, 24(22), 5969-5987.
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3

Characterization of Ugi-OSAOcT Conjugates

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The structure of the Ugi-OSAOcT conjugates was characterized by FTIR and 1H NMR spectroscopy. In detail, the FTIR spectra of the sample were recorded on a Nicolet-6700 (Thermo Scientific, Waltham, MA, USA) with KBr pellets in the range of wavenumbers between 4000 and 400 cm−1 for 64 scans with a spectral resolution of 2.0 cm−1. The 1H NMR spectra was recorded at 25 °C using an ULTRASHIELD 400 PLUS spectrometer (Bruker, Fällanden, Switzerland) operating at 400 MHz with deuterated water (D2O) as a solvent and tetramethylsilane (TMS) as an internal standard; the concentration of the sample was approximately 8.0–10.0 mg/mL.
Liu Z., Chen X., Huang Z., Wang H., Cao S., Liu C., Yan H, & Lin Q. (2022). One-Pot Synthesis of Amphiphilic Biopolymers from Oxidized Alginate and Self-Assembly as a Carrier for Sustained Release of Hydrophobic Drugs. Polymers, 14(4), 694.
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4

Synthesis and Characterization of Naltrexone

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Naltrexone (NTX) was obtained as a free base through the NIDA Drug Supply Program. Other reagents were purchased from commercial vendors (such as Sigma-Aldrich and Aldlab Chemicals) and used without further purification. Flash column chromatography was performed with silica gel columns (230-400 mesh, Merck). 1H (400 MHz) and 13C (100 MHz) nuclear magnetic resonance (NMR) spectra were recorded with tetramethylsilane as the internal standard on a Bruker Ultrashield 400 Plus spectrometer. High resolution mass spectroscopy (HRMS) was performed on an Applied Bio Systems 3200 Q trap with a turbo V source for TurbolonSpray. HPLC analysis was done with a Varian ProStar 210 system on Microsorb-MV 100-5 C8/C18 column (250 mm × 4.6 mm) at 254 nm, eluting with acetonitrile/water (0.1% TFA) (85/15) at 1 mL/min over 30 min. Melting points were determined using OptiMelt automated melting point system (Fisher Scientific).
Winn S.R., Hammang J.P., Emerich D.F., Lee A., Palmiter R.D, & Baetge E.E. (1994). Polymer-encapsulated cells genetically modified to secrete human nerve growth factor promote the survival of axotomized septal cholinergic neurons.. Proceedings of the National Academy of Sciences of the United States of America, 91(6), 2324-2328.
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5

Quantitative 1H NMR of CD Complexes

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Solution-state 1H NMR analyses were performed to quantify the stoichiometric ratios of the CD inclusion complexes, and all of the crystalline samples obtained by co-precipitation were dissolved in deuterated dimethyl sulfoxide (DMSO-d6) at 23 °C. These analyses were performed on a Bruker Ultrashield 400 Plus Spectrometer (Billerica, Massachusetts, U.S.A.) and the program MestReNova was used to analyse the resulting data [48 ].
Vicatos A.I., Hoossen Z, & Caira M.R. (2022). Inclusion complexes of the steroid hormones 17β-estradiol and progesterone with β- and γ-cyclodextrin hosts: syntheses, X-ray structures, thermal analyses and API solubility enhancements. Beilstein Journal of Organic Chemistry, 18, 1749-1762.
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6

Synthesis and Characterization of Organic Compounds

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Chemical reagents were purchased from either Sigma-Aldrich or Alfa Aesar. Reactions were monitored using Analtech Uniplate F254 TLC plates. Compounds were purified using silica gel columns (230−400 mesh, Merck). The IR spectra were obtained using a Thermo Scientific smart iTR instrument. Proton (400 MHz) and carbon-13 (100 MHz) nuclear magnetic resonance (NMR) spectra were acquired at ambient temperature with tetramethylsilane as the internal standard on a Bruker Ultrashield 400 Plus spectrometer. MS analysis was performed using the PerkinElmer AxION TOF mass spectrometer. HPLC analysis was done with a Varian ProStar 210 system on Microsorb-MV 100–5 C8/C18 column (250 mm × 4.6 mm) at 254 nm, eluting with acetonitrile (0.1% TFA)/water (40/60) at 1 mL/min over 30 min. All above analytical methods were used to determine purity of the newly synthesized compounds, and their purity is confirmed as ≥95%.
Obeng S., Wang H., Jali A., Stevens D.L., Akbarali H.I., Dewey W.L., Selley D.E, & Zhang Y. (2018). Structure−Activity Relationship Studies of 6α- and 6β-Indolylacetamidonaltrexamine Derivatives as Bitopic Mu Opioid Receptor Modulators and Elaboration of the “Message-Address Concept” To Comprehend Their Functional Conversion. ACS chemical neuroscience, 10(3), 1075-1090.
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7

Stoichiometry Determination of TMB·PTB Crystals

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1H NMR spectroscopy was used to determine the stoichiometry of the co-precipitated crystals of TMB·PTB. A 3 mg sample was dissolved in deuterated dimethyl sulfoxide (DMSO-d6) at 23 °C in a clean tube and the spectrum was recorded on a Bruker Ultrashield 400 Plus Spectrometer (Billerica, MA, USA). The program MestReNova [23 ] was used to analyze the resulting data.
Catenacci L., Vicatos A.I., Sorrenti M., Edmonds-Smith C., Bonferoni M.C, & Caira M.R. (2023). Complexation between the Antioxidant Pterostilbene and Derivatized Cyclodextrins in the Solid State and in Aqueous Solution. Pharmaceuticals, 16(2), 247.
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8

NMR Characterization of Organic Compounds

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1 H (400 MHz) and 13 C NMR spectra (101 MHz) were obtained from the hydrochloride salts (or in some cases freebases) in anhydrous d 6 -DMSO solutions (20 mg/mL) (>99.9% D, Sigma Aldrich) on a Bruker Ultrashield 400 plus spectrometer with a 5 mm BBO S1 (Z gradient plus) probe at ambient temperature. Internal chemical shift references were solvent (δ = 2.50 and 39.52 ppm for 1 H and 13 C spectra respectively). 19 F (376.5 MHz) NMR was run as described using trichlorofluoromethane (99%+, Aldrich) as internal reference (δ = 0.0 ppm). NMR assignments were made using chemical shift position, splitting, 13 C and 13 C PENDANT and hetero-and homo-2-D experiments such as HMQC, HMBC and COSY to confirm all assignments. A background water concentration of solvent (determined as integration ratio relative to solvent shift) was also determined in order to check for water content within the final salts.
Dybek M., Wallach J., Kavanagh P.V., Colestock T., Filemban N., Dowling G., Westphal F., Elliott S.P., Adejare A, & Brandt S.D. (2019). Syntheses and analytical characterizations of the research chemical 1-[1-(2-fluorophenyl)-2-phenylethyl]pyrrolidine (fluorolintane) and five of its isomers. Drug testing and analysis, 11(8).
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