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bbiorefcode 2 0 0 nmr metabolic profiling database  (Bruker Corporation)


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    Bruker Corporation bbiorefcode 2 0 0 nmr metabolic profiling database
    Bbiorefcode 2 0 0 Nmr Metabolic Profiling Database, supplied by Bruker Corporation, used in various techniques. Bioz Stars score: 96/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/bbiorefcode+database/BBIOREFCODE/pm41097329-165-19-25
    Average 96 stars, based on 1 article reviews
    bbiorefcode 2 0 0 nmr metabolic profiling database - by Bioz Stars, 2026-09
    96/100 stars

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    Sequencing:

    Article Title: Chronic Cholesterol Exposure Disrupts Macrophage Polarization and Cytokine Secretion in a 3D Microenvironment
    Article Snippet: .. The acquisition parameters were: spectral width of 12 ppm, relaxation delay of 5 s, acquisition time of 4 s, and a mixing time of 100 ms, while two-dimensional 1H−1H TOCSY was conducted with the DIPSI2 sequence along with water suppression achieved by excitation sculpting with gradients by setting 2k × 128 time domain data points, 128 transients per FID, a relaxation delay of 2.0 s, and a TOCSY mixing time of 100 ms to confirm the metabolite assignments.20,21 All the NMR data were processed using TOPSPIN 4.4.1 software (Bruker), and metabolites were identified by comparing spectra with reference databases from Chenomx NMR Suite V11.0 Professional (Chenomx Inc., Edmonton, Canada), BBIOREFCODE2.7.0 (Bruker Biospin, Rheinstetten, Germany), and the Human Metabolome Database (HMDB).22 Metabolite quantification was performed using internal standard DSS-d6, and changes in metabolite levels were calculated to capture condition-specific metabolic variations. ..

    Article Title: Radiofrequency Amplitude-Based Ratiometric Guanidinium CEST MRI for Tumor pH-Sensitive Imaging.
    Article Snippet: Altered pH is a hallmark of metabolic disruption in the tumor microenvironment.. Chemical exchange saturation transfer (CEST) MRI has emerged as a valuable technique for pHsensitive imaging.. However, the pH specificity of conventional CEST measurements is usually compromised by T1 relaxation and labile proton concentration.

    Article Title: Dock-and-lock binding of SxIP ligands is required for stable and selective EB1 interactions
    Article Snippet: .. The 15 N CEST experiments ( ) were conducted for samples containing 0.75 mM 15 N EB1 and 2.5% (molar) of the MACF peptide at a 1 H frequency of 800 MHz and 298 K. CEST profiles were measured at 15 N B1 field strength of 12.5, 25, and 50 Hz applied during a constant period of 400 ms using the standard Bruker pulse sequence. .. For the residues with detected CEST NMR exchange, data at all B1 values were fitted separately for each residue and simultaneously for all the residues using the ChemEx software ( https://github.com/gbouvignies/chemex ) as described previously ( ).

    Nuclear Magnetic Resonance:

    Article Title: Chronic Cholesterol Exposure Disrupts Macrophage Polarization and Cytokine Secretion in a 3D Microenvironment
    Article Snippet: .. The acquisition parameters were: spectral width of 12 ppm, relaxation delay of 5 s, acquisition time of 4 s, and a mixing time of 100 ms, while two-dimensional 1H−1H TOCSY was conducted with the DIPSI2 sequence along with water suppression achieved by excitation sculpting with gradients by setting 2k × 128 time domain data points, 128 transients per FID, a relaxation delay of 2.0 s, and a TOCSY mixing time of 100 ms to confirm the metabolite assignments.20,21 All the NMR data were processed using TOPSPIN 4.4.1 software (Bruker), and metabolites were identified by comparing spectra with reference databases from Chenomx NMR Suite V11.0 Professional (Chenomx Inc., Edmonton, Canada), BBIOREFCODE2.7.0 (Bruker Biospin, Rheinstetten, Germany), and the Human Metabolome Database (HMDB).22 Metabolite quantification was performed using internal standard DSS-d6, and changes in metabolite levels were calculated to capture condition-specific metabolic variations. ..

    Article Title: Plexin C1 modulates metabolic programming for resolution of severe inflammation
    Article Snippet: The one-dimensional (1D) spectra were imported into the Chenomx NMR Suite 8 (Chenomx, Edmonton, Canada) for quantification purposes. .. Metabolite identification was performed using the Bbiorefcode (Bruker Biospin) and Chenomx databases, with the structures of all annotated metabolites confirmed through two-dimensional (2D) NMR experiments on the same samples. ..

    Article Title: Plexin C1 modulates metabolic programming for resolution of severe inflammation.
    Article Snippet: The one-dimensional (1D) spectra were imported into the Chenomx NMR Suite 8 (Chenomx, Edmonton, Canada) for quantification AR TIC LE IN PR ES S 36 purposes. .. Metabolite identification was performed using the Bbiorefcode (Bruker Biospin) and Chenomx databases, with the structures of all annotated metabolites confirmed through two-dimensional (2D) NMR experiments on the same samples. ..

    Software:

    Article Title: Chronic Cholesterol Exposure Disrupts Macrophage Polarization and Cytokine Secretion in a 3D Microenvironment
    Article Snippet: .. The acquisition parameters were: spectral width of 12 ppm, relaxation delay of 5 s, acquisition time of 4 s, and a mixing time of 100 ms, while two-dimensional 1H−1H TOCSY was conducted with the DIPSI2 sequence along with water suppression achieved by excitation sculpting with gradients by setting 2k × 128 time domain data points, 128 transients per FID, a relaxation delay of 2.0 s, and a TOCSY mixing time of 100 ms to confirm the metabolite assignments.20,21 All the NMR data were processed using TOPSPIN 4.4.1 software (Bruker), and metabolites were identified by comparing spectra with reference databases from Chenomx NMR Suite V11.0 Professional (Chenomx Inc., Edmonton, Canada), BBIOREFCODE2.7.0 (Bruker Biospin, Rheinstetten, Germany), and the Human Metabolome Database (HMDB).22 Metabolite quantification was performed using internal standard DSS-d6, and changes in metabolite levels were calculated to capture condition-specific metabolic variations. ..



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    Multiclass ROC curves for the eight machine learning models generated using combined metabolite and behavioral markers as input data. The respective AUC values for each model are also shown, illustrating their effectiveness in class discrimination.

    Journal: Nmr in Biomedicine

    Article Title: Urinary Metabolic Biomarkers of Attentional Control in Children With Attention‐Deficit/Hyperactivity Disorder: A Dimensional Approach Through 1 H NMR‐Based Metabolomics

    doi: 10.1002/nbm.70088

    Figure Lengend Snippet: Multiclass ROC curves for the eight machine learning models generated using combined metabolite and behavioral markers as input data. The respective AUC values for each model are also shown, illustrating their effectiveness in class discrimination.

    Article Snippet: The optimized acquisition parameters are those already reported in Tristán et al. [ ] For structural elucidation of the metabolite set present in children's urine, two‐dimensional experiments including 1 H– 1 H COSY, 1 H– 1 H TOCSY, 1 H– 13 C HSQC, and 1 H– 13 C HMBC of a representative sample were recorded using standard Bruker sequences as described in Tristán et al. [ ] Additionally, this identification of the metabolic profile was also supported by the assistance of public databases—The Human Metabolome Database (HMDB, http://www.hmdb.ca ) and Complex Mixture Analysis Database (COLMAR, http://spin.ccic.ohio‐state.edu/index.php/colmar )—and private ones—Chenomx, Metabolite Reference Database (Bruker, bbiorefcode)—and literature searches.

    Techniques: Generated