We develop and apply Nuclear Magnetic Resonance (NMR) spectroscopic (solid state and solution state) methods to various biological systems for understanding human disease progression. Our research area is mainly interdisciplinary in nature with application of concepts from Physics, Computation and Biology.


Following are major research projects running in our laboratory: Solid state NMR of bones, cartilage and supramolecular assembly like bacteriophage.Solid state NMR is the unique spectroscopic tool which can provide high resolutions structural information of amorphous systems like bone and cartilage in its absolute native state. We develop methods to measure structural details in these diverse systems.Developments of NMR based quantifications methodology for biofluids. Identifications and quantifications of metabolites in bio – fluids are important aspects metabonomics where NMR spectroscopy is front runner. One – dimensional NMR suffer from poor resolutions due to sever overlap even at high magnetic field. We develop two – dimensional methods for accurate quantifications of metabolites by applying concepts from signal processing such as non – linear samplings.

Applications of NMR based metabonomics for gallbladder cancer.Gallbladder cancer is major cause of death in human in northern part of India. We develop and apply NMR based metabonomic methods for identifications of biomarkers in gallstone and gallbladder cancer. (Collaboration with Department of Surgical Gastroenterology, SGPGIMS, Lucknow)

Developments of NMR based methods for biomarker identification in critically ill patients.We develop and apply NMR based metabonomic studies for biomarker identification in Acute Respiratory Distress Syndrome. (Collaboration with Department of Critical Care Medicine, SGPGIMS, Lucknow)

Selected Publications

  1. Predominant Role of Water in Native Collagen Assembly inside the Bone Matrix. Ratan Kumar Rai, Chandan Singh and Neeraj Sinha, Journal of Physical Chemistry B (9 Dec 2014), DOI: 10.1021/jp511288g.

  2. Search for Biomarkers in Critically Ill Patients: A New Approach Based on Nuclear Magnetic Resonance Spectroscopy of Mini – Bronchoalveolar Lavage Fluid. Chandan Singh, Ratan Kumar Rai, Afzal Azim, Neeraj Sinha and Arvind Kumar Baronia, Critical Care (2014), (18), 594.

  3. Direct Evidence of Imino Acid – Aromatic Interactions in Native Collagen Protein by DNP – Enhanced Solid – State NMR Spectroscopy. Chandan Singh, Ratan Kumar Rai, Fabien Aussenac and Neeraj Sinha, Journal of Physical Chemistry Letters (2014), 5(22), 4044 - 4048.

  4. Experimental aspect of solid-state nuclear magnetic resonance studies of biomaterials such as bones, Chandan Singh, Ratan Kumar Rai and Neeraj Sinha Solid State Nuclear Magnetic Resonance (2013) 54, 18-25.

  5. Mechanistic Insights into Water–Protein Interactions of Filamentous Bacteriophage, Rudra N Purusottam, Ratan K. Rai, Neeraj Sinha The Journal of Physical Chemistry B (2013) 117, 2837-2840.

  6. Fast and Accurate Quantitative Metabolic Profiling of Body Fluids by Nonlinear Sampling of 1H–13C Two-Dimensional Nuclear Magnetic Resonance Spectroscopy Ratan Kumar Rai and Neeraj Sinha. Analytical Chemistry (2012) 84 (22), 10005-10011.

  7. Metabonomic Study of Host−Phage Interaction by Nuclear Magnetic Resonance- and Statistical Total Correlation Spectroscopy-Based Analysis Kanchan Sonkar, Rudra N Purusottam and Neeraj Sinha. Analytical Chemistry (2012), 84 (9), pp 4063–4070.

  8. Dehydration-Induced Structural Changes in the Collagen–Hydroxyapatite Interface in Bone by High-Resolution Solid-State NMR Spectroscopy. Ratan Kumar Rai and Neeraj Sinha Journal of Physical Chemistry C (2011) 115; 14219 – 14227.

  9. Quantification of Metabolits from Two – Dimensional Nuclear Magnetic Resonance Spectroscopy: Application to Human Urine Samples. Ratan Rai, Pratima Tripathi and Neeraj Sinha. Analytical Chemistry (2009) 81; 10232 – 10238.

  10. Solid State 13C NMR analysis of human gallstones from cancer and benign gall bladder diseases, K. Jayalakshmi, Kanchan Sonkar, Anu Behari, V. K. Kapoor and Neeraj Sinha, Solid State Nuclear Magnetic Resonance (2009) 36; 60 – 65.

Conferences/ Seminars

  1. One-dimensional version of Statistical Total Correlation Spectroscopy (STOCSY) for metabonomic studies - Kanchan Sonkar and Neeraj Sinha at Centenary Symposium on Future Directions in NMR held at Indian Institute of Science, Bangalore,India,October 19-22nd, 2008.

  2. Solid State 13C NMR Analysis of Human Gall Bladder Stones from Patients with Malignant and Benign Gall Bladder Diseases - K. Jayalakshmi, KanchanSonkar, Anu Behari, V. K. Kapoor, Neeraj Sinha at Symposium on Magnetic Resonance and Bio-Molecular Mimetics and 15th NMRS meeting held at IICT, Hyderabad, India, February 2-5th, 2009.

  3. Solid State 13C-NMR Analysis of Human Gall Bladder Stones- K. Jayalakshmi, Kanchan Sonkar, Anu Behari, V. K. Kapoor, Neeraj Sinha at International Society for Magnetic Resonance in Medicine, 17th Scientific Meeting & Exhibition at Honolulu, Hawaii, USA, April 18-24th, 2009.

  4. Metabolic Profiling by Two – dimensional NMR Spectroscopy - Ratan Kuamr rai , Partima tripathi, Neeraj Sinha - Magnetic Resonance and Biomolecular Mimetics & 15th NMRS meeting, IICT, Hyderabad, February 2-5, 2009

  5. Quantitative metabolic profiling of body fluids by Nonlinear sampling and Forward Maximum entropy Reconstruction of 1H-13C HSQC- Ratan Kumar Rai and Neeraj Sinha - Recent development & application of biomedical magnetic resonance- 16th NMRS meeting, CBMR, Lucknow, February 21-23, 2010.


Present Group Members

  • Chandan Singh

  • Rajkumar Sharma

  • Anup Paul

  • Akhila Viswan


  • Kanchan Sonkar

  • Department of Chemistry, University of Massachusetts, USA

  • Rudra N Purusottam

  • École Normale Supérieure, Paris, France

  • Ratan Kumar Rai

University of California, San Diego, USA

Solid State NMR Unit