Avance ultrashield 400

Manufactured by Bruker

Sourced in Canada

The Avance UltraShield 400 is a high-performance NMR spectrometer designed for a wide range of applications in the field of analytical chemistry. It features a 400 MHz superconducting magnet and provides excellent spectral resolution and sensitivity for the analysis of organic and inorganic compounds.

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Lab products found in correlation

Ac 200, by Bruker (4 mentions) B 545 melting point apparatus, by Büchi (2 mentions) Benzaldehyde, by Merck Group (1 mentions) Thermo icap 6500, by Thermo Fisher Scientific (1 mentions) Micro star 12, by Avantor (1 mentions) P66614cl, by IoLiTec (1 mentions) Nitric acid, by Merck Group (1 mentions) Autopurification system, by Waters Corporation (1 mentions) 6230 lc tofms mass spectrometer, by Agilent Technologies (1 mentions) Dual ajs esi source, by Agilent Technologies (1 mentions) Silica gel 60 f254 plate, by Merck Group (1 mentions) Avance 3 hd 600, by Bruker (1 mentions) Prodigy cryoprobe, by Bruker (1 mentions) Spectrum two ft ir spectrometer, by PerkinElmer (1 mentions) Highscore plus v 3.0d, by Malvern Panalytical (1 mentions) X pert diffractometer, by Malvern Panalytical (1 mentions)

Close spelling variants of this product

Avance II 400 MHz UltraShield Plus Avance III 400 Ultrashield spectrometer Avance 400 MHz Ultrashield NMR spectrometer Avance 400 Ultrashield spectrometer Avance Ultrashield 400 MHz spectrometer Ultrashield 400 Avance 400

8 protocols using avance ultrashield 400

NMR Characterization of Organic Compounds

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The known products were
characterized by comparing
their NMR spectra with those reported in the literature,^{40 (link),68 (link)} by using a Bruker Avance Ultrashield 400 operating at a proton frequency
of 400 MHz. The following abbreviations were used for describing NMR
multiciplities: s, singlet; t, triplet; q, quartet; and m, multiplet.
Benzaldehyde and the other ketones were commercially available (Sigma-Aldrich)
and were used as received. The iron complexes were prepared according
to literature methods (see Figure 1).

Esposito R., Raucci U., Cucciolito M.E., Di Guida R., Scamardella C., Rega N, & Ruffo F. (2019). Iron(III) Complexes for Highly Efficient and Sustainable Ketalization of Glycerol: A Combined Experimental and Theoretical Study. ACS Omega, 4(1), 688-698.

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Catalyst Material Separation and Leaching Efficiency Analysis

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The separation of the car catalyst material from the leaching solution was performed via centrifugation in a Microstar 12 tabletop centrifuge (VWR, Germany).
The leaching efficiencies of the PGMs in all systems before and after liquid–liquid separation were quantified with inductively coupled plasma–optical emission spectroscopy (ICP–OES) with appropriate sample dilution and matrix matching to accommodate for the high carbon content of the DES in the case of the leachates (1% EtOH in 5% HCl). The measurements were performed using a radial ICP–OES (Thermo iCAP 6500, Thermo Scientific, Waltham, MA, USA). A sample introduction kit consisting of a parallel path nebulizer (PEEK Mira Mist, Thermo Scientific, Ottawa, ON, Canada), a gas cyclonic spray chamber with a riser tube, and a torch injector tube with a 2 mm inner diameter was used.
¹H-, ¹³C- and ³¹P-NMR spectra were recorded from CDCl₃ and DMSO-d₆ solutions on a Bruker AC 200 (200 MHz) or Bruker Avance UltraShield 400 (400 MHz) spectrometer. Chemical shifts (δ) were reported in ppm using tetramethylsilane as internal standard, and coupling constants (J) were given in Hertz (Hz). The following abbreviations were used to explain the multiplicities; s = singlet, d = doublet, t = triplet, q = quartet, quin = quintet, sext = sextet, m = multiplet.

Lanaridi O., Platzer S., Nischkauer W., Limbeck A., Schnürch M, & Bica-Schröder K. (2021). A Combined Deep Eutectic Solvent–Ionic Liquid Process for the Extraction and Separation of Platinum Group Metals (Pt, Pd, Rh). Molecules, 26(23), 7204.

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Synthesis and Characterization of Cis-Isomers

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Unless otherwise noted, all reagents were purchased from commercial suppliers and used without further purification. Cis-isomers 7 [42 (link)], 8 [12 (link)], 9 [40 (link)], and 10 [45 (link)] as well as AgNO₃-impregnated silica gel (AgNO₃/SiO₂) [42 (link)] were prepared following known procedures. GC-FID measurements were performed on a Trace™ 1310 GC chromatograph from Thermo Scientific equipped with TR-5MS columns (length 15 m, I.D. 0.25 mm, film 1.0 µm). ¹H and ¹³C NMR spectra were recorded on a Bruker AC 200 or Bruker Avance UltraShield 400 spectrometer at 20 °C.

Svatunek D., Denk C., Rosecker V., Sohr B., Hametner C., Allmaier G., Fröhlich J, & Mikula H. (2016). Efficient low-cost preparation of trans-cyclooctenes using a simplified flow setup for photoisomerization. Monatshefte Fur Chemie, 147, 579-585.

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Synthesis and Characterization of Ionic Liquids for PGM Extraction

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All reagents employed in the method development were of analytical grade. Concentrated hydrochloric acid 37% and nitric acid 65% were purchased from Merck, Germany. Stock solutions of Pt, Pd, and Rh 1000 ppm in 5% HCl were obtained from Fluka, Germany and used for the preparation of PGM model solutions and calibration standard solutions. P₆₆₆₁₄Cl was purchased from Iolitec, Germany, and P₆₆₆₁₄DOP from Sigma-Aldrich, Germany. The rest of the ionic liquids were synthesized in-house (detailed process provided in the ESI). The ¹H-, ¹³C, and ³¹P-NMR spectra of the synthesized ILs were recorded from DMSO-d₆ solutions on a Bruker Avance UltraShield 400 (400 MHz) spectrometer. The compounds used to provide the anion to the synthesized ionic liquids were all purchased from Sigma-Aldrich, Germany. High purity water was supplied by an Easipure water system (Thermo, USA, conductivity 18 MΩ·cm⁻¹).
The car catalyst material employed in this work was provided by Monolithos Ltd. (Athens, Greece). The grinding size of the provided catalyst powder was <0.16 mm.

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Synthesis and Characterization of Heterocyclic Compounds

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Commercially available reagents were used without further purification. Reactions were monitored by thin layer chromatography with silica gel 60 F₂₅₄ plates (E. Merck, Darmstadt, Germany). HPLC chromatography was carried out with the Autopurification system by Waters using fluoro-phenyl columns. ¹H and ¹³C NMR spectra were recorded on Bruker AC 200 (¹H: 200 MHz, ¹³C: 50 MHz), Bruker Avance Ultrashield 400 (¹H: 400 MHz, ¹³C: 101 MHz) or Bruker Avance IIIHD 600 spectrometer equipped with a Prodigy BBO cryo probe (¹H: 600 MHz, ¹³C: 151 MHz). Chemical shifts are reported in parts per million (ppm) and were calibrated using DMSO-d₆ as internal standard. Multiplicities are denoted by s (singlet), br s (broad singlet), d (doublet), dd (doublet of doublet) and m (multiplet). Melting points were determined with a Büchi Melting Point B-545 apparatus. HR-MS was measured on an Aglient 6230 LC TOFMS mass spectrometer equipped with an Aglient Dual AJS ESI-Source.
Compounds 1 (PZ II 028), 2 (LAU156), 3 (LAU206) and 4 (LAU176) were synthesized and published previously^{23 (link)}. Synthesis of 5 (DCBS76) was conducted in analogy to previously outlined synthetic routes^{23 (link), 44 (link), 45 (link)}. The synthesis of 6 (DCBS96) was improved as described. Compound 7 (LAU462) was synthesized according to reported protocols^{23 (link), 46 (link), 47 (link)}.

Simeone X., Siebert D.C., Bampali K., Varagic Z., Treven M., Rehman S., Pyszkowski J., Holzinger R., Steudle F., Scholze P., Mihovilovic M.D., Schnürch M, & Ernst M. (2017). Molecular tools for GABAA receptors: High affinity ligands for β1-containing subtypes. Scientific Reports, 7, 5674.

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Organic Compound Characterization Protocol

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Chemicals were purchased from commercial suppliers and were used without further purification unless otherwise noted. For thin layer chromatography (TLC) aluminium backed silica gel 60 F254 (from Merck) was used. Flash column chromatography was performed with a Büchi Sepacore MPLC system using silica gel 60 M (particle size 40–63 μm) or conventional glass columns. Preparative TLC was performed on glass backed silica gel GF uniplates (1000 microns) from Analtech. Melting points were measured on a Büchi B-545 melting point apparatus and are uncorrected. ¹H NMR and ¹³C NMR spectra were recorded from CDCl₃ solutions on a Bruker AC 200 (200 MHz), a Bruker Avance UltraShield 400 (400 MHz) or a Bruker Avance III HD 600 (600 MHz) spectrometer. Chemical shifts are reported in ppm relative to the nominal residual solvent signals of CDCl₃: ¹H NMR: 7.26 ppm, ¹³C NMR: 77.16 ppm. HRMS data was measured with a Shimadzu HPLC-IT-TOF mass spectrometer (ESI).

Dreier D., Resetar M., Temml V., Rycek L., Kratena N., Schnürch M., Schuster D., Dirsch V.M, & Mihovilovic M.D. (2018). Magnolol dimer-derived fragments as PPARγ-selective probes †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8ob01745j. Organic & Biomolecular Chemistry, 16(38), 7019-7028.

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NMR Spectroscopy of Fmoc-Derivatized Compounds

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¹H NMR and ¹³C NMR spectra were recorded on a Bruker Avance Ultrashield 400 (100 MHz ¹³C) instrument with Bruker Prodigy Cryo Probe and were internally referenced to residual protium solvent signals (note: D₂O referenced at 4.70 ppm). Samples (5–10 mg) were dissolved in 0.5 mL D₂O. In the case of Fmoc-2a products, 4 µL trifluoroacetic acid (TFA) was added for complete dissolution. Data for ¹H NMR are reported as follows: chemical shift (δ ppm), multiplicity (s = singlet, d = doublet, dd = doublet of a doublet, t = triplet, dt = doublet of a triplet, m = multiplet), coupling constant (Hz), and integration. Fmoc-derivatized products form amide rotamers appearing as doubled signals which is indicated by the two δ (ppm) values separated by a slash, e.g., 8.38/8.31 (d/d, J = 1.3/1.4 Hz, 1 H). Assignments of protons are listed on the spectra (Figure S7-S14). Data for ¹³C NMR are reported in terms of chemical shift, and no special nomenclature is used for equivalent carbons.

Telek A., Molnár Z., Takács K., Varga B., Grolmusz V., Tasnádi G, & Vértessy B.G. (2024). Discovery and biocatalytic characterization of opine dehydrogenases by metagenome mining. Applied Microbiology and Biotechnology, 108(1), 101.

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Synthesis and Characterization of Tetrazole Compounds

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For all experiments, reagents and solvents were commercially obtained from Sigma-Aldrich and used as supplied. Unless otherwise stated, all reactions were performed under normal aerobic conditions.
¹H and ¹³C{1H} NMR spectra were recorded on a Bruker Avance UltraShield 400 spectrometer with broad-band probe head. All NMR chemical shifts are reported in ppm; ¹H and ¹³C shifts are referenced to the residual solvent resonance. Mid-range infrared spectra were recorded in ATR technique within the range of 4000–450 cm⁻¹ using a PerkinElmer Spectrum Two FTIR spectrometer with an UATR accessory attached. If not otherwise stated, the background was measured with opened anvil versus ambient air. The powder X–ray diffraction measurements were carried out on a PANalytical X’Pert diffractometer in Bragg–Brentano geometry using Cu K_α1,2 radiation, an X’Celerator linear detector with a Ni–filter, sample spinning with back loading zero background sample holders and 2θ = 4°–90°, T = 297 K at the X–ray Center at TU Wien. The diffractograms were evaluated using the PANalytical program suite HighScore Plus v3.0d. A background correction and a K_α2 strip were performed.

Warning: Tetrazoles and its derivatives are potential explosive and shock sensitive compounds; therefore handle with care. Proper protective measures should be taken [31 (link), 32 (link)].

Müller D., Knoll C, & Weinberger P. (2016). Microwave alkylation of lithium tetrazolate. Monatshefte Fur Chemie, 148(1), 131-137.

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