NMR Metabolomics — 1D 2D & Chemometrics — Hands-on

Gain practical skills in NMR based metabolomics, from pulse sequences and sample preparation to spectral processing, peak picking and multivariate analysis. This module focuses on 1D and 2D NMR workflows, quality checks and chemometrics so that you can turn spectra into robust metabolite profiles and biologically meaningful patterns.

NMR Metabolomics — 1D 2D & Chemometrics

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Session Index

Session 1 — NMR Principles & Hardware for Metabolomics Session 2 — 1D NMR Acquisition, Processing & QC Session 3 — 2D NMR, Assignment & Feature Extraction Session 4 — Mini Capstone: Chemometrics and Interpretation

Session 1

Fee: Rs 8800

NMR Principles & Hardware for Metabolomics

NMR basics in the context of metabolomics

nuclear spin and resonance chemical shift and J coupling sensitivity vs concentration range

Magnets, probes and spectrometer configuration

field strength and resolution probe types and temperature control autosamplers and throughput

Sample preparation and reference standards for NMR

deuterated solvents and buffers TSP, DSS and internal references pH control and ionic strength

Session 2

Fee: Rs 11800

1D NMR Acquisition, Processing & QC

1D pulse sequences for metabolomics

standard 1H experiments NOESY presat and CPMG water suppression strategies

Data acquisition parameters and optimization

number of scans and relaxation delays spectral width and resolution shim and line shape quality

Processing, QC metrics and export formats

Fourier transform, phase and baseline correction referencing and binning options FID and spectrum QC checklists

Session 3

Fee: Rs 14800

2D NMR, Assignment & Feature Extraction

Key 2D experiments for metabolite assignment

COSY and TOCSY HSQC and HMBC trade offs in time and sensitivity

Metabolite identification and libraries

chemical shift databases and tools peak picking and manual curation levels of identification in NMR

Feature extraction approaches

bucketing and spectral bins targeted integration of peaks export to matrix for statistics

Session 4

Fee: Rs 18800

Mini Capstone: Chemometrics and Interpretation

Preparing NMR data for multivariate analysis

normalization and scaling choices handling missing features batch and drift checks

Chemometrics on NMR metabolomics data

PCA for overview and outliers PLS DA and validation concepts loading plots and spectral back mapping

Deliverables: NMR workflow and analysis summary

acquisition and processing SOP feature matrix and QC report chemometrics figures and narratives

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NMR Metabolomics — 1D 2D & Chemometrics Training | Spectra, Assignment & Chemometrics

NMR Metabolomics — 1D 2D & Chemometrics — Hands-on