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Prof. C. Sudarsanakumar

Prof. C. Sudarsanakumar

Senior Professor and Former Director

Hon.Director, Centre for High Performance Computing, M G University, Kottayam.
Email: c.sudarsan.mgu@gmail.com
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Research Interests

  • Biomedical applications of natural drugs and their functionalized nanoparticles
  • Biophysical studies on natural Drug-DNA/RNA interactions.
  • X-ray crystallography of biomolecules and natural products.
  • Molecular modeling and dynamics of Modified Nucleic Acids.
  • Interactions of Biomolecules with Nanoparticles.
  • Structure, interactions and activity of natural drugs.
  • Biosensors.

Qualifications

Ph.D. (1992)  :   (Doctor of Philosophy) Physics. Indian Institute of Technology, Chennai, India

M.Sc. (1985)  :   (Master of Science) Physics, University of Kerala, India.

Research/Teaching/Professional experiences

  • Jan 01, 2019 –                                   :    Sr. Professor
  • June 2022 – Nov 2022   Director   :    Research and Development Cell, M. G University, Kottayam.
  • 2015 –  2022    Hon. Director         :    Centre for High Performance Computing, M G University, Kottayam
  • 2018 –  2020    Dean                        :    Faculty of Science, M G University, Kottayam
  • 2013 – 2015    Director                   :     School of Pure and Applied Physics, M G University, Kottayam
  • 2010 – 2015  Hon. Joint Director  :    Centre for High Performance Computing, Mahatma Gandhi University,                                                                                  Kottayam
  • 2010 – 2011.   Hon. Director         :    Inter University Centre for Biomedical Research, MG University, Kottayam
  • Jan 01, 2009 – Dec 31, 2018           :    Professor
  • Jan 01, 2006 –  Dec 31, 2008          :    Associate Professor
  • June 02, 2001 –Dec 31, 2005          :    Reader
  • June 02, 1997 – Jan 01, 2001          :    Senior Lecturer
  • May 16, 1994 – June 01, 1997        :    Lecturer

 Postdoctoral Research         

  • 1998-2001:      Macromolecular structure Laboratory, Department of Chemistry, The Ohio State University,                                             Columbus, Ohio, USA
  • 1992-1994:      Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India

 Citation index

Total number of publications: 104 

h-Index: 22

Citations: 1550

No. of M Phil supervised:27

No. of Ph.D. supervised: 16

No. of conferences/symposia attended:

No. of conferences/seminars convened:

No. of students currently doing research: 4

 Fellowships awarded

  •  1987 – 1989     Junior Research Fellowship MHRD, Govt. of India
  • 1989 – 1992      Senior Research Fellowship, MHRD, Government of India.
  • 1992 – 1994      Postdoctoral Fellowship from the Molecular Biophysics Unit, Indian Institute of Science, Bangalore,                                   India.
  • 1998 – 2001     Postdoctoral Fellowship from the Ohio-State University, Columbus, USA
  • GATE (1986):   Qualified (87.22)

Mentor of Startup Projects funded by Kerala Startup Mission: Ongoing – 2

  •  Title of the project: Development of nano cellulose-based biodegradable hydrogel patches for rapid diabetic wound healing  Team: Neelima S, Vipina Vinod TN, Dr C Sudarsanakumar, Dr EK Radhakrishnan
  • Title of the project: Synthesis and Crystallographic Studies of Enones and Nitrogen Heterocyclic Compounds and its Nonlinear Optical Applications   Team: Vidya L, Aparna V M, Jose Varugese

Research interest

  • Biomedical applications of natural drugs and their functionalized nanoparticles
  • Biophysical studies on natural Drug-DNA/RNA interactions.
  • X-ray crystallography of biomolecules and natural products.
  • Molecular modeling and dynamics of Modified Nucleic Acids.
  • Interactions of Biomolecules with Nanoparticles.
  • Structure, interactions and activity of natural drugs.
  • Biosensors.

Post-doctoral supervision  

Completed

  1. Dr. Anu Philip
  2. Dr. Angel Susan Cheriyan
  3. Dr. Subin Thomas
  4. Dr. Soorya Sukumaran

Memberships in Professional Organizations:

  • 2016 – 2018      Member of the American Chemical Society, USA.
  • 2005 –              Life Member of Indian Crystallographic Association.
  • 1999-2001        Member of the American Crystallographic Association, USA
  • 1999-2001       Member of the Institute of Physics, USA

Teaching

  •  Post-graduate teaching for the last 29 years
  •  MSc, M.Phil and Ph.D course work.

Academic Responsibilities 

  • June 2022- Nov 2022   – Director, Research and Development Cell, MG University, Kottayam.
  • April 2022 – Nov. 2022-  Director of Research, M G University, Kottayam.
  • 2018-2020   Dean Faculty of Science, MG University, Kottayam.
  • 2019- 2022      Member BoS, Department of Physics, Bharathiyar University, Coimbatore.
  • 2019- Present   Member Board of Studies- Subject Expert, Department of Physics CUSAT, Kochi
  • 2017- 2019      Member, Academic Council, MG University.
  • 2017- 2019      Subject Expert DBT- Star College Scheme, Biotechnology Mission, CMS College, Kottayam.
  • 2017- 2019      Member IQAC, MG University
  • 2016- 2019      Member, Board of Studies in Optoelectronics, University of Kerala.
  • 2016- 2018      Member, Board of Studies, Department of Physics, CMS College, Kottayam.
  • 2015- 2019      Member Board of Studies- Subject Expert, Department of Instrumentation, CUSAT, Kochi
  • 2015- 2019      Member Board of Studies- Subject Expert, Department of Physics, CUSAT, Kochi
  • 2014- 2017      Chairman, BOS 2014 (MSc, MPhil), SPAP, MG University, Kottayam
  • 2014- 2017      Member Board of Studies- Subject Expert, S.B.College, Changanassery
  • 2012- 2015      Member Academic Council, Mahatma Gandhi University.
  • 2009-2012       Member, UG Board of Studies Physics, MG University, Kottayam.

Number of publications in peer-reviewed and reputed International journals :     93

 Invited lectures since 2009   :     54

Conference Presentations       :  50

Other Activities:    

  • Chairman, KSCSTE Research Fellowship Examination 2022, Govt. of Kerala.
  • Member, Local Advisory Committee, International Meeting on Highly Correlated Systems IMHCS 2017, 24-26, MG University, Kottayam
  • Member, National Organizing Committee, National Seminar on Photonics and its Applications, December 2015, Department of Optoelectronics, University of Kerala.
  • Subject expert, assessment committee, UGC JRF to SRF, University of Kerala 2015.
  • Member, Grievance Redressel Cell- Election to the students union of the M G University (2015)
  • Chairman, Ph.D Selection Committee 2013, M.G.University, Physics- General, Kottayam
  • Chairman, Ph.D Selection Committee 2014, M.G.University, Physics- General, Kottayam
  • Member, National Organising Committee, National Symposium on X-ray diffraction and Recent Advances in Crystallography February 27 – 28,  2015, Periar University, Salem, Tamil Nadu. Salem
  • Chairman Scientific Session National Conference on Advances in Chemical Sciences March 1-2, 2013 Maharshi Dayanand University, Rohtak. Haryana
  • Chairman Technical Committee, 23rd Swadeshi Science Congress, 2013
  • Member National Organizing committee, National Colloquium on 100 years of crystallography, 7-9, Feb 2013 conducted by Kerala State Council for Science Technology and Environment
  •  Member, Organizing committee, International Year of Crystallography 2014, KSCSTE, Govt. of Kerala
  • External Expert UGC-BSR Fellow Assessment Committee, CUSAT, Kochi. (2014)
  • Subject Expert, Assessment Committee, MANFMS- SRF-, Department of Instrumentation, CUSAT.

Coordinator: Seminar / Workshop

  • INCULCATE Science camp Nov.2009, Government of Kerala
  • National Workshop on Material Characterization by X-Ray Diffraction methods, Feb. 2010. UGC: SAP-DRS Programme.
  • INSPIRE Science Camp April, 2010, DST, Government of India.
  • Seminar on Frontiers in Biomedical Research, August 16-18, 2010
  • XIV Refresher Course on Experimental Physics, Nov.18 –Dec. 3, 2010. Sponsored by Academy of Sciences In India.
  • National Seminar on Advanced Materials, MG University, January 18-19, 2012
  • Seminar on “India based Neutrino Observatory Project” held on Oct 2012, School of Pure & Applied Physics
  • National seminar on 100 years of crystallography, March 2013, Mahatma Gandhi University, Kottayam.
  • Seminar on the occasion of International year of Crystallography Feb 2014, School of Pure & Applied Physics, MG University Kottayam
  • Workshop on Developments in Crystallography, Kerala State Council for Science Technology and Environment, Govt. of Kerala & SPAP, 16-17, December 2014.
  • National Seminar on Advanced Materials, School of Pure and Applied Physics, March 23-24, 2018.

Examination related responsibilities

  • Chairman Doctoral Committee – Physics (2013-2015), M G University
  • Chairman, PhD Thesis adjudication committee, Central University, Pondicherry 2017
  • Chairman, PhD Thesis adjudication committee, Kannur University.
  • Chairman, PhD Thesis adjudication committee, CUSAT.
  • Ph.D thesis examiner, Mangalore University.
  • Ph.D thesis examiner, Central University, Pondicherry.
  • Ph.D thesis examiner, CUSAT
  • Ph.D thesis examiner, Kannur University
  • Ph.D thesis examiner, Mysore University, Karnataka
  • Ph.D thesis examiner, Bharathidasan University, Tiruchirappalli, TN.
  • Ph.D thesis examiner, Bharathiyar University, Coimbatore, TN.
  • Chairman, Ph.D thesis, Bharathiyar University, Coimbatore, TN.
  • Ph.D thesis examiner, Kerala University, Calicut University.
  • Evaluator, SARD project, KSCSTE
  • Question paper setter, SLET, Tamilnadu
  • Chairman, question paper setters Optoelectronics- MTech entrance, University of Kerala.
  • Chairman 2013-2015, Upgradation from JRF to SRF, SPAP, M G University

 Maintenance of SXRD machine at SPAP

 Consultancy for Data Processing and Complete Structure Solution from X-ray Data

 Expert in interview for the selection/ Screening of Principal and teachers in colleges and universities

Extension activities:

  • Mentor: Inculcate Science Propagation Programme, Govt. of Kerala.
  • Mentor, INSPIRE, Department of Science and Technology, Govt. of India.
  • Sasthrajalakam, SIET, Govt of Kerala, S.D College, Kanjirappally, 2019.
  • Jury panel member, All Kerala Science Congress, 26 Jan 2018, St.Berchmans Higher Secondary School, Changanassery, Kottayam
  • Jury panel member, All Kerala Science Congress, 26 Jan 2017, St.Berchmans Higher Secondary School, Changanassery, Kottayam
  • Jury panel member, All Kerala Science Congress, 26 Jan 2016, St.Berchmans Higher Secondary School, Changanassery, Kottayam
  • Vivekananda public school, August 4, 2016, Kurumalloor, Kottayam

Served as reviewer in several International Journals of:

Taylor & Francis, Springer, Thomson Reuters USA, HSOA Journals, Elsevier, ACS, Royal Society journals, etc.

Co-ordinator:  UGC SAP-DRS-II, (1.03 Cr) School of Pure and Applied Physics, M.G.University

 International Projects:

 2020 KA107 ICM funding between Dublin City University and Universities in Kerala (17,570 euros: participating investigator)

Journal Cover Page of our publications:

  • Molecular Dynamics Simulations of xDNA      M.K.Varghese,  R.Thomas, N.V.Unnikrishnan and C.Sudarsanakumar           Biopolymers V.91(5) (2009) 351-360
  • A comprehensive approach to ascertain the binding mode of curcumin with DN     P Haris, V Mary, P Aparna, KV Dileep, C Sudarsanakumar           Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2017,175,155-163

Book Chapters:

  • Optical properties of Pr3+ doped Polyvinylidene Fluoride-Titanium Dioxide-(PVDF-TiO2) hybrid. Optical & Molecular Physics: Theoretical Priciples & Experimental Methods, 2021, 227-242 Apple Academic Press. Rani George, Sunil Thomas, P.R Biju, N.V Unnikrishnan and C. Sudarsanakumar nEdited by M.A Esteso
  • Green Energy Applications of Graphene L Vidya, RAJ APARNA, S Neelima, K RIJU, C Sudarsanakumar Apple Academic Press: Nanostructured Carbon for Energy Generation, Storage, and Conversion, 213-237

List of Publications in reputed peer-reviewed International Journals. 93

  1. Highly crystalline bacterial cellulose production by Novacetimonas hansenii strain isolated from rotten fruitS Neelima, S Sreejith, Shamna Shajahan, Aparna Raj, L Vidya, VM Aparna, EK Radhakrishnan, C SudarsanakumarMaterials Letters 333, 133622
  2. Synthesis and Crystal Structure Analysis of 3, 3′-[(3-Sulfanyl Phenyl) Methylene] Bis (4-Hydroxy-2H-1-Benzopyran-2-One): 5-Methyl-1, 3-Thiazol-2 (3H)-ImineG Sharma, S Anthal, MB Deshmukh, PP Mohire, TR Bhosale, C.Sudarsanakumar, R Kant Crystallography Reports 2021, 66 (7), 1233-1237
  3. Synthesis, X-ray structure, and DFT analysis of a binary complex of 3, 3′-[(3-benzimidazolyl) methylene] bis (4-hydroxy-2H-1-benzopyran-2-one): 5-Methyl-1, 3-thiazol-2 (3H)-imineG Sharma, A Uppal, S Anthal, MB Deshmukh, PP Mohire, TR Bhosale, …European Journal of Chemistry (2020) 11 (4), 324-333
  4. Chemical vapour deposited graphene: substrate pre-treatment, growth and demonstration as a   simple graphene-based SERS substrate. S Nalini, S Thomas, MK Jayaraj, C Sudarsanakumar, KR KumarBulletin of Materials Science 2020, 43 (1) 1-10.                                                       [1.3]
  5. Spectroscopic properties of Sm3+-doped PVDF-ZrO2 hybrid membraneRani George, Sunil Thomas, Cyriac Joseph, PR Biju, NV Unnikrishnan, C. Sudarsanakumar Materials Today: Proceedings (2020), 25, 151-154.
  6. Investigations on SPR induced Cu@ Ag core shell doped SiO2-TiO2-ZrO2 fiber optic sensor for mercury detectionVP Prakashan, G George, MS Sanu, MS Sajna, AC Saritha, C.Sudarsanakumar, P R Biju, Cyriac Joseph, NV Unnikrishnan Applied Surface Science 2020, 507, 144957                                                                         [6.182]
  7. Sm3+-doped PVDF–SiO2 hybrid for greenish-blue light emission. R George, S Thomas, SM Simon, C Joseph, PR Biju, NV Unnikrishnan, C.Sudarsanakumar Materials Today: Proceedings (2020),33,1384-1388.
  8. Highly Ordered Good Crystalline ZnO-Doped WO3 Thin Films Suitable for OptoelectronicApplicationsVS Kavitha, RJ Bose, RS Sreedharan, C Sudarsanakumar, R Prabhu, …JOM 2019, 71 (5), 1874-1884               [2.305]
  9. Quercetin binding to Spatholobus parviflorus lectin: Promise of a macromolecular, specific-            compound carrier for drug S Sukumaran, M Haridas, C Sudarsanakumar        International journal of biological macromolecules 2019,133, 214-225                   [4.784]
  10. An insight into the comparative binding affinities of chlorogenic acid functionalized gold and silver             nanoparticles with ctDNA along with its cytotoxicity analysis RK Thomas, S Sukumaran, C Sudarsanakumar Journal of Molecular Liquids 2019, 287, 110911-                                [4.561]
  11. Photophysical and thermodynamic evaluation on the in vitro and in silico binding profile of Camptothecin with DNA RK Thomas, S Sukumaran, C Sudarsanakumar Biophysical Chemistry, 2019, 246, 40-49.          [1.745]
  12. L-Tyrosine Functionalized ZnOfor the Fluorescence Detection of Phenol.J Varghese, S Thomas, C Sudarsanakumar AIP Conference Proceedings. 2019, 2082 (1), 080003
  13. Synthesis, Crystal Growth, and Optical Characterization of a Novel Nonlinear Optical Organic Material: N,N‐Diarylbenzamide R Lakshmi, P Prabukanthan, G Harichandran, C Sudarsana KumarCrystal Research and Technology, 2019, 1700146                                                          [1.09]
  14. Photobehaviour and in vitro binding strategy of natural drug, chlorogenic acid with DNA: A case of groove binding RK Thomas, S Sukumaran, C Sudarsanakumar Journal of Molecular Structure 2019, 1178, 62-72       [2.12]
  15. Selective sensing of curcumin using L-cysteine derived blue luminescent graphene quantum dots C Sudarsanakumar, S Thomas, S Mathew, S Arundhathi, DR Raj, … Materials Research Bulletin, 2019, 110, 32-38     [3.355]
  16. Revealing the interaction strategy of Diosmin functionalized gold nanoparticles with ctDNA: Multi-          spectroscopic, calorimetric and thermodynamic approach RK Thomas, S Sukumaran, S Prasanth, C Sudarsanakumar Journal of Luminescence 2019, 205, 265-276                                                 [2.961]
  17. Supramolecular framework of conjugated nitro-alkenes: Crystallographic and hirshfeld surface scan M Joy, N Joseph, V Mary, V Jose, C SudarsanakumarJournal of Molecular Structure2018, 1173, 964-973         [2.12]
  18. Structural features of Safinamide: A combined Hirshfeld surface analysis & quantum chemical treatment  M Joy, B Mathew, C Sudarsanakumar Chemical Data Collections 2018, 17, 404-414                                          [0.516]
  19. Probing the interaction of the phytochemical 6-gingerol from the spice ginger with DNAP  Haris, V Mary, C Sudarsanakumar International journal of biological macromolecules 2018, 113, 124-131                           [4.784]
  20. Surface Plasmon Resonance Based Fiber Optic Dopamine Sensor Using BSA- Gold     Cluster/Polymer Composites DR Raj, C Sudarsanakumar Advanced Science Letters 2018, 24 (8), 5598-5602
  21. Calorimetric and Spectroscopic Studies to Monitor the Interaction of L-Cysteine Functionalized Selenium Nanoparticles with Calf Thymus DNA  RK Thomas, S Prasanth, TV Vineeshkumar, C Sudarsanakumar Advanced Science Letters  2018, 24 (8), 5624-5628
  22. Efficient green luminescence of terbium oxalate crystals: A case study with Judd- Ofelt theory and single crystal structure analysis and the effect of dehydration on luminiscence. Alexander, M. Joy, K Thomas, S Sisira, PR Biju,NVUnnikrishnan, C.Sudarsanakumar,  MA   Ittyachen, Cyriac Joseph  Journal of Solid State Chemistry 2018, 262, 68-78                               [2.291]
  23. Spectroscopic exploration of interaction between PEG-functionalized Ag2S nanoparticles with bovine serum albumin S Prasanth, D RitheshRaj, TV Vineeshkumar, C Sudarsanakumar Chemical Physics Letters 2018, 700, 15-21                                           [1.901]
  24. Structural, optical and enhanced power filtering application of PEG capped Zn1- xCoxS quantum dots TV Vineeshkumar, S Prasanth, R Pragash,NV Unnikrishnan ,C.Sudarsanakumar AIP Conference Proceedings 2018, 1942 (1), 050120
  25. Discovery of new class of methoxy carrying isoxazole derivatives as COX-II inhibitors: Investigation of a detailed molecular dynamics study. M Joy, AA Elrashedy, B Mathew, AS Pillay, A Mathews, S Dev, MES Soliman, C.Sudarsanakumar. Journal of Molecular Structure 2018, 1157, 19-28                                              [2.12]
  26. Synthesis, structural, optical and thermal properties of N-methyl–N-aryl benzamide organic single crystals grown by a slow evaporation techniqueP Prabukanthan, R Lakshmi, G Harichandran, C. Sudarsana Kumar  Journal of Molecular Structure 2018, 1156, 62-73                     [2.12]
  27. Colorimetric and Fiber Optic Sensing of Cysteine Using Green Synthesized Gold NanoparticlesDR Raj, C Sudarsanakumar Plasmonics 2018, 13 (1), 327-334`                                    [2.926]
  28. Anti-oxidant behavior of functionalized chalcone-a combined quantum chemical and crystallographic structural investigation.B Mathew, AA Adeniyi, M Joy, G E Mathew, AS Pillay, C Sudarsanakumar, MES Soliman, J Suresh  Journal of Molecular Structure 2017, 1146, 301-308.                            [2.12]
  29. “Elucidating the interaction of l-cysteine-capped selenium nanoparticles and human serum albumin: spectroscopic and thermodynamic analysis.Prasanth, S., and C. Sudarsanakumar. New Journal of Chemistry (2017) 41(17), 9521-9530.                               [3.069]
  30. “Experimental Probing and Molecular Dynamics Simulation of the Molecular Recognition of DNA Duplexes by the Flavonoid Luteolin.”Mary, Varughese, Poovvathingal  Haris, Mathew K. Varghese, Purushothaman  Aparna, and             Chellappanpillai Sudarsanakumar.Journal of Chemical Information and Modeling  (2017) 57 (9), 2237-2249           [3.966]
  31. Optical nonlinearities of iron doped zinc sulphide quantum dots.Cinumon KV, Prasanth S, Raj DR, Vineeshkumar TV, Pillai VM, Sudarsanakumar C.AIP Conference Proceedings. 2017, 1832(1), 050129.
  32. A comprehensive approach to ascertain the binding mode of curcumin with DNAP Haris, V Mary, P Aparna, KV Dileep, C Sudarsanakumar        Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2017,175,155-163. [2.931]
  33. Effect of Nb doping on the structural, morphological, optical and electrical properties of RF magnetron sputtered In 2 O 3 nanostructured filmsRR Krishnan, SR Chalana, S Suresh, SK Sudheer, C Sudarsanakumar,physica status solidi 2017, c 1 (14), n/a-n/a        2017                           [1.606]
  34. Development of LSPR-Based Optical Fiber Dopamine Sensor Using L-Tyrosine-Capped Silver Nanoparticles and Its Nonlinear Optical PropertiesDR Raj, S Prasanth, C SudarsanakumarPlasmonics 2017, 12 (4), 1227-1234.    [2.926]
  35. Surface plasmon resonance based fiber optic sensor for the detection of cysteine using diosmin capped silver nanoparticlesDR Raj, C SudarsanakumarSensors and Actuators A: Physical 2017, 253, 41-48                               [2.739]
  36. Role of Mn 2+ concentration in the linear and nonlinear optical properties of Ni 1-x Mn x Se nanoparticlesB Anugop, S Prasanth, DR Raj, TV Vineeshkumar, S Pranitha, VPM Pillai, C.Sudarsanakumar …Optical Materials 2016,62, 297-305.                                                      [2.687]
  37. In Silico Quantum Chemical and Crystallographic Treatment of α‐Formylketene Dithioacetal towards the Elucidation of Its Structural and Optical NatureM Joy, N Alex, JJ Malayan, C Sudarsanakumar, A Mathews ChemistrySelect 2016, 1 (18), 5974-5981                                    [1.716]
  38. A systematic investigation on the interaction of l-cysteine functionalised Mn 3 O 4 nanoparticles with lysozymeS Prasanth, DR Raj, RK Thomas, TV Vineeshkumar, C SudarsanakumarRSC Advances2016,  6 (107), 105010-105020                                       [3.049]
  39. Exploring the interaction of L-cysteine capped CuS nanoparticles with Bovine serum Albumin (BSA) :A Spectroscopic study  Prasanth S, D Rithesh Raj, T.V. Vineeshkumar,Riju K Thomas and  C Sudarsanakumar RSC Advances 2016, 6 (63), 58288-58295                             [3.049]
  40. Phase modification and surface plasmon resonance of Au/WO 3 systemRJ Bose, VS Kavitha, C Sudarsanakumar,  VPM PillaiApplied Surface Science (2016) 379, 505-515                      [5.155]
  41. Composition dependent structural, Raman and nonlinear optical properties of PVA capped Zn 1-xy Cd x Cu y S quantum dotsTV Vineeshkumar, DR Raj, S Prasanth, P Sankar, NV Unnikrishnan, C.Sudarsanakumar  Optical Materials (2016) 58, 128-135                             [2.687]
  42. Surface Plasmon Resonance based fiber optic sensor for mercury detection using gold nanoparticles PVA hybridR Raj,S.Prasanth,T.V.Vineeshkumar,C.SudarsanakumarOptics Communications 2016, 367, 102–107.     [1.961]
  43. Surface plasmon resonance based fiber optic dopamine sensor using green synthesized silver nanoparticlesR Raj, S. Prasanth, T.V. Vineeshkumar, C. SudarsanakumarSensors and Actuators B:Chemical (2016) 224, 600-606.                        [6.393]
  44.  Conformational features of benzo‐homologated yDNA duplexes by molecular dynamics simulationP Aparna, M Varughese, M K Varghese, P Haris, C SudarsanakumarBiopolymers (2016) 105, 55-64.            [2.248]
  45. Energetics, Thermodynamics and Molecular Recognition of Piperine with DNAP Haris, V Mary, M Haridas, C Sudarsanakumar Chem. Inf. Model. (2015), 55, 2644−26. [3.760]
  46. Effect of tantalum doping on the structural and optical properties of RF magnetron sputtered indium oxide thin films R Krishnan, R. S Sreedharan, S.K. Sudheer, C. Sudarsanakumar, V. Ganesan, P. Srinivasan, V.P. M PillaiMaterials Science in Semiconductor Processing (2015) 37, 112-122.       [2.722]
  47. Spectroscopic studies on the interaction of cysteine capped CuS nanoparticles with tyrosine.S.Prasanth, D.R.Raj, T.V.V.Kumar and C.SudarsanakumarAIP: Solid State Physics: (2015) 1665(1), 40010.
  48. Highly Textured and Transparent RF sputtered Eu2O3 Doped ZnO filmsRS Sreedharan, V Ganesan, C Sudarsanakumar, K Bhavsar, R Prabhu, VPM PillaiNano Reviews (2015), 6. Doi:10.3402/nano.v6.26759.
  49. Ammonia sensing properties of tapered plastic optical fiber coated with silver nanoparticles/PVP/PVA             hybrid   R Raj, D, Prasanth S, Vineeshkumar T V and C.SudarsanakumarOptics Communications (2015) 340, 86-92.                     [1.887]
  50. Nonlinear optical properties and fluorescence quenching behaviour of PVP capped ZnS nanoparticles codoped with Mn2+ and Sm 3+.Prasanth. S, Irshad. P, R Raj D, Vineeshkumar T V, R Philip and C.Sudarsanakumar. Journal of  Luminiscence (2015) 166, 167-175.                        [2.961]
  51. Crystal Structure, FT-IR, FT-Raman, 1HNMR and Computational study of Ethyl-2-{[(Z)3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione]amino} acetate.S.Prasanth, M. Varughese, N. Joseph, P. Mathew, T.K.Manojkumar and C.Sudarsanakumar Molecular Structure (2015) 1081, 366 – 374.             [2.12]
  52. Highly Transparent and Luminescent Nanostructured Eu2O3 Doped ZnO films R.S.Sreedharan, V.Ganesan, C.Sudarsanakumar, R.Prabhu and V.P.M Pillai IOP: Materials Science and Engineering (2014) 64 (1), 012027.
  53. Structural and optical studies of Zn1-xCdxS quantum dots synthesized by in situ techniques in PVA matrix. T.V.Vineeshkumar, D. R Raj, S. Prasanth, N.V.Unnikrishnan, R.Philip and C.Sudarsanakumar Optical Materials (2014). 37, 439 – 445.                        [2.687]
  54. Fluorescence Synthesis and structural characterization of sol-gel derived Titania/Poly(vinyl pyrrolidone) nanocomposites. P Vasudevan, S Thomas, P.R.Biju,, C.Sudarsanakumar and N.V.Unnikrishnan J.Sol.Gel.Sci.Techol 62 (1), (2012) 41.                                                 [1.986]
  55. Crystal Structures of 1,7-Bis(furyl)-4-(1,3-dithiolan-2-ylidene)-1,6-heptadiene-3, 5-dione and 1,7-bis(thienyl)-4-(1,3-dithiolan 2-ylidene)-1,6-heptadiene-3,5-dione. S.G.Bubbly, S.B.gudennavar, D.Viswam and C. Sudarsanakumar  Chem Crystallogr.41(9)(2011) 1310.         [0.630]
  56. Spectroscopic properties of Er3+ doped Cerium oxalate crystals. Pragash, N.V.Unnikrishnan and C.Sudarsanakumar Pramana 77(6) (2011) 1119.                              [1.185]
  57. Energy transfer and thermal studies of Pr3+ doped cerium oxalate crystals. Pragash, R, Jose G, Unnikrishnan N V, Sudarsanakumar C. Bull. Mater. Sci. 34, No.4 (2011) 955-961.                 [1.216]
  58. Synthesis of pure anatase TiO2 nanocrystals in SiO2 host and the determination of crystal planes by Image P Vasudevan, Karthika, S, C Joseph, C.Sudarsanakumar and    N.V.Unnikrishnan Mater. Letts 65(2011), 664 [3.019]
  59. Molecular dynamics simulations and binding free energy analysis of DNA-minor groove            complexes with curcumin M.K.Varghese,  N.V.Unnikrishnan and C.Sudarsanakumar Journal of Molecular Modeling (2011)                                                   [1.335
  60. Synthesis and Crystal Structure of 1,7-Bis(4-methoxyphenyl)-4-(1,3-dithiolan-2-y lidene)-1,6- heptadiene-3,5-dione. S.G.Bubbly, S.B.gudennavar, D.Viswam and C.Sudarsanakumar Chem Crystallogr.41(2) (2011) 175-179.                                                 [0.630]
  61. Local symmetry and Z-scan analysis of ZnSe/Eu3+ doped sol-gel silica hosts. S Mathew, K.V.A Kumar, C.Sudarsanakumar, V.P.N.Nampoori and N.V.Unnikrishnan  Can J Phys. 88 (2010) 493-500.
  62. Spectral thermal and structural studies on aluminium phthalocyanine hydroxide thin films S Mathew, C.Sudarsanakumar and C.S.Menon Optoelectronics and Advanced Materials-Rapid Communications 4 (2010),63.    [0.452]
  63. Crystal Structure of Methyl 7-hydroxy-5,6-bis(phenyl)-1,2,4-trimethyl bicycle [2.2.1] hept-5-ene- 2(endo)carboxylate. S.G.Bubbly, S.B.Gudennavar and C.Sudarsanakumar Analytical Sciences. 25(10), (2009), 107.                                                           [1.618]
  64. Structure reports on 2-[2-Benzoyl-3,3-bis(methylsulfanyl)prop-2-enylidene] malononitrile. J Nirmala, N.V.Unnikrishnan, E.R.Anabha and C.Sudarsanakumar Acta Crystallographica. E65 (2009) o1727.        [0.34]
  65. Molecular Dynamics Simulations of xDNA M.K.Varghese,  R.Thomas, N.V.Unnikrishnan and C.Sudarsanakumar  Biopolymers V.91(5) (2009) 351-360.                        [2.27]
  66. Crystal Structure of 1,7-Bis(4-chlorophenyl)-4-(1,3-dithiolan-2-ylidine)-1,6-heptadiene-3,5-dione. S.G.Bubbly, S.B.Gudennavar, B.Varghese, D.Viswam and C.Sudarsanakumar J.Chem.Cryst.V.38, (2008), 641.         [0.630]
  67. Influence of reactive oxygen ambience on the structural, morphological and optical properties of pulsed laser ablated potassium lithium niobate thin films. V.Jayasree, R.Ratheesh, V.Ganesan, V.R.Reddy , C.Sudarsanakumar,             V.P.M Pillai, V.U.Nayar Thin Solid Films V.517 (2008) 603-608.              [1.888]
  68. Structure reports on 2,-[2-[4-Methylbenzoyl)-3-3bis (methylsulfanyl)-prop-2- enylidene]malononitrile. J Nirmala, N.V.Unnikrishnan,  C.V.Asokan, E.R.Anabha and C.Sudarsanakumar Acta cryst.  E64, (2008) O592 [0.367]
  69. Electrical conductivity studies on carbazole thin filmsK.Pisharady Sreejith, C.S.Menon and C.SudarsanakumarVaccum, 82 (2008) 1291.                              [2.515]
  70. Effect of thickness on the absorption spectra of GaPcCl, SnPcO and AlPcOH thin films Susan Mathew, C.S.Menon and C.Sudarsanakumar Optoelectronics and Advanced Materials – Rapid Communications Vol.2, (2008), 349. [0.452]
  71. Crystal structure of 3-(1,3-Dithiolan-2-ylidene)pentane-2, 4-dione. S.G.Bubbly, S.B.Gudennavar, B.Varghese, D.Viswam and C.Sudarsanakumar Analytical Sciences. 23(11), (2007), x221.                   [1.618]
  72. Optical, electrical and structural characterization of gallium phthalocyanine chloride thin films. S.Mathew, C.Sudarsanakumar and C.S.Menon. Optoelectronics and Advanced Materials – Rapid Communications Vol.11,  (2007), 614.                                                    [0.452]
  73. Effect of annealing on the electrical properties of gallium phthalocyanine chloride thin films Susan Mathew, C.S.Menon and C.Sudarsanakumar Optoelectronics and Advanced Materials – Rapid Communications Vol.1(7),  (2007), 339.    [0.452]
  74. Electrical properties of Schottky diodes based on Carbazole Sreejith K.Pisharady, C.S.Menon and C.Sudarsanakumar  J.Mater. Sci. 41 (2006) 2417.                                               [0.654]
  75. Effect of air annealing on the optical electrical and structural properties of carbazole thin films Sreejith K Pisharady, C.S.Menon, C.Sudarsanakumar and T.G.Gopinathan Mat.Chem. Phy. 100 (2006) 147.            [2.781]
  76. Optical and electrical properties of carbazole thin film Sreejith K Pisharady, C.S.Menon and C.Sudarsanakumar Mater. Sci. lett. 40 (2005) 2047.                                                             [0.68]
  77. Highly facile and stereoselective intramolecular [2+2] photocycloadditions of bis(alkenoyl) ketenedithioacetal B.K.Joseph, B.Verghese, C.Sudarsanakumar, S.Deepa, D.Viswam, P.Chandran, and     C.V.Asokan Chem. Commun.  (2002) 736.                                               [1.46]
  78. M.Sundaralingam, J.Deng, Y. Xiong, C.Sudarsanakumar and K. Shi. Crystal Structure of a 14-mer RNA duplex with Double uu Bulges in two Crystal forms: A Novel Intramolecular U*(AU) Base Triple. Proceedings of the Americal Crystallographic Association (2001) p. 105.
  79. The Crystal Structure of a Bulged Adenine from the SL2 Stem-loop of the HIV-1 ψ-site. C.Sudarsanakumar, Y.Xiong, J.Deng, and M.Sundaralingam. Proceedings of the Americal Crystallographic Association (2001) p. 115-116.
  80. Crystal structure of two forms of a 14-mer RNA/DNA chimer duplex with double UU bulges: A novel intramolecular U*(A•U) base triple. J.Deng, Y.Xiong, C.Sudarsanakumar, K.Shi and M.Sundaralingam RNA 7 (2001) 1.                                     [5.02]
  81. Crystal structure of an RNA Duplex with Uridine Bulges Y.Xiong, J.Deng, C.Sudarsanakumar and M.Sundaralingam Proceedings of the Americal Crystallographic Association (2001) p. 104.
  82. Crystal Structure of an RNA Duplex r(gugucgcac)2 with Uridine Bulges Y.Xiong, J.Deng, C.Sudarsanakumar and M.Sundaralingam J.Mol. Biol.313 (2001) 573.                          [5.067]
  83. Crystal Structure of an Adenine Bulge in the RNA Chain of a DNA•RNA Hybrid, d(CTCCTCTTC)•r(gaagagagag). C.Sudarsanakumar, Y.Xiong and M.Sundaralingam J.Mol. Biol.299 (2000) 103.       [5.067]
  84. Molecular Structure of Methyl 5,6-Diaryl-1,2,4-trimethyl-7-oxobicyclo[2.2.1] hept-5- en-2-endo-            carboxylates (aryl = phenyl or o-methoxyphenyl)S.N. Balasubrahmanyam, S.P. Rao, M.M. Bhadbhade, C.Sudarsanakumar and B.K.Joseph Bull.Chem.Soc.Jpn., 73 (2000) 941.                                               [4.431]
  85. An X-ray Analysis of Native Monoclinic Lysozyme. A Case Study on the Reliability of Refined Protein             Structures and a Comparison with the Low-Humidity Form in Relation to Mobility and Enzyme Action. H.G.Nagendra, C.Sudarsanakumar and M.Vijayan.Acta Cryst. D52 (1996), 1067.                        [2.333]
  86. Water-Dependent Domain Motion and Flexibility in Ribonuclease-A and the Invariant Features in its Hydration shell. An X-ray study of Two Low Humidity Crystal Forms of the Enzyme. K.V.Radhakishan, Nagasuma R Chandra, C.Sudarsanakumar, K.Suguna and    M.VijayanActa Cryst. D51 (1995), 703.                             [2.333]
  87. Characterization of Lysozyme crystals with unusually low solvent content H.G.Nagendra, C.Sudarsanakumar and M.Vijayan Acta Cryst. D51 (1995), 390.                                  [2.333]
  88. Crystal structure of 2,4-Dihydro-8-methoxy-4,4-dimethyl-2-p-tolyl-1H- [1]benzopyrano[4,3,2-cd]indol- 1-one. C.Sudarsanakumar, M.Rajasekhar Rao, S.Srinivasan, B.Chandrasekhar and S.R.Ramadas Zeitschrift fur Kristallographie 204 (1993), 271.                    [3.179]
  89. Crystal Structure and conformation of two N-tosyl-protected dipeptides containing amino acids with polar side chains. C.Sudarsanakumar, S.Srinivasan, V.Prathiba and Babu Varghese. Int. J. Peptide Protein Res. 42 (1993), 294.                                                         [0.34]
  90. C9 conformation of N-{N -[(tert-butyloxy)-carbonyl]-L-alanyl}-N,N’- dicyclohexylurea in solid and solution. C.Sudarsanakumar, S.Srinivasan and R. Jayakumar. Int. J. Peptide Protein Res. 39 (1992), 285.              [0.34]
  91. Structure of 2,4-Dihydro-8-methoxy-2-(p-methoxyphenyl)-4,4-dimethyl-1H-[1]benzopyrano[4,3,2- cd]indol-1-one and 2,4-Dihydro-8-methoxy4,4-dimethyl-2-phenyl-1H-[1]benzopyrano[4,3,2-      cd]indol-1-one. C.Sudarsanakumar, S.Srinivasan, B.Chandrasekhar and S.R.Ramadas Acta Cryst. C46 (1990), 1475.    [2.333]
  92. Crystal Structure of 2-methoxy-7,7-dimethyl-N-p-tolyl-pyrrolono{f,g}-7H-xanthen, C24H21NO3. C.Sudarsanakumar, M.R.Rao, S.Srinivasan, B.Chandrasekhar and        S.R.Ramadas. Zeitschrift fur Kristallographie 192 (1990) 275.                 [3.179]
  93. Structure of 6-Methoxy-1-[(4-methoxyphenyl)amino]xanthen-9-one. C.Sudarsanakumar, S.Srinivasan, B.Chandrasekhar and S.R.RamadasActa Cryst. C46 (1990), 849.                   [2.333]

 Book Chapter:

  1.  Optical properties of Pr3+ doped Polyvinylidene Fluoride-Titanium Dioxide-(PVDF-TiO2) hybrid Optical & Molecular Physics: Theoretical Principles & Experimental Methods, 2021, 227-242 Apple Academic Press. Rani George, Sunil     Thomas, P.R Biju, N.V Unnikrishnan and C. Sudarsanakumar edited by M.A Esteso
  2. Green Energy Applications of Graphene   L Vidya, Raj Aparna, S Neelima, K RIJU, C Sudarsanakumar  Apple Academic Press-2023: Nanostructured Carbon for Energy Generation, Storage, and Conversion

Journal Cover Page of our publications:

  1. Molecular Dynamics Simulations of xDNA   M.K.Varghese,  R.Thomas, N.V.Unnikrishnan and C.Sudarsanakumar Biopolymers V.91(5) (2009) 351-360
  2. A comprehensive approach to ascertain the binding mode of curcumin with DNA P Haris, V Mary, P Aparna, KV Dileep, C Sudarsanakumar      Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2017,175,155-163

Research Areas

  • Single crystal X-ray structure determination.
  • Exploring the three-dimensional molecular structure of highly functionalized molecular materials to expose the supramolecular features leading to various applications.
  • Optimizing structural and bonding characteristics precisely to predict the ground and excited state activity/property of materials followed by a qualitative structure activity assessment for various applications using cutting-edge quantum chemical methods.
  • Developing nanomaterial based fiber optic sensors for bio-applications.
  • Spectroscopic and calorimetric studies on the interaction of nanoparticles with proteins.
  • Biophysical and computational studies on the molecular recognition of natural drugs by DNA.
  • Spectroscopic, calorimetric, cytotoxic, anti-bacterial and computational studies on the molecular recognition of natural drugs and its nanoparticle derivatives by ctDNA.
  • Synthesis and characterization of nanoparticles in polymeric matrices.
  • Tuning the optical limiting properties of II-VI nanoparticles.
  • Detection of harmful plastcizers in plastic packaged food & beverages.

Synthesis, structural and optical properties of alloy quantum dots for optical power limiting applications

Investigation of semiconductor nanocrystals has constituted one of the most active,cross-disciplinary research areas for over two decades. In particular, semiconducting metalsulfide nano-particulates possess novel optical, electrical and magnetic properties. Amongthe variety of semiconductor metal sulfide nano nanocrystals, ZnS is a wide band gap semiconductor with a band gap energy of 3.4 eV at 300 K having blue luminescence, large binding energy, high chemical, mechanical and thermal stability. It has become a challenge to control the property of semiconductors continuously independent of their size. It can be achieved by alloying with other elements and also by adjusting the constituent stoichiometry of alloyed semiconductors ie they exhibit novel composition-tunable properties. Our research work is mainly focused on the synthesis of surface passivated ZnS based alloy quantum dots [Zn1-x Mx S (M= Cd, Co, Ni, Fe, and Cu)] by various polymeric ligands/matrix.The synthesized materials were analyzed by XRD, TEM, HRTEM, DRS, PL and FT-IR. In nano crystalline solids, band gap modification and strain induced changes in lattice parameters alter the intrinsic inter atomic distances and modify the energy levels of bonding electrons leading to the changes in their electronic and optical properties. We investigate the composition dependent optical non-linearity and limiting properties using Z-scan measurements and identified promising candidates in the design of optical devices like optical limiters for protecting human eye and optical sensors at both high and low power laser regimes.

Z scan curve and Optical limiting response of Zn1-x CdxS at different Cd concentration Nanomaterial based fiber optic sensors for bio-applications

Sensors are very important in all aspects of healthcare and environmental monitoring.Developing new materials and technology for novel sensors invite great interest. Current health awareness demands for more reliable, robust, cost effective and compact sensors with higher sensitivity, selectivity and time response. Localized surface plasmon resonance(LSPR) based biosensors using metal nanoparticles invite attention due to their potential biomedical applications. The excellent biocompatibility, conductivity, catalytic properties,high surface-to- volume ratio and high density of metal nanoparticles facilitate extensive usage in bio- chemical sensor applications. Gold and silver nanoparticles are extensively used as sensors because of their outstanding LSPR properties. LSPR can be tuned based on the properties of capping material, surface modification, particle shape, medium of refractive index, surface charge and inter particle distance, more efficiently than the size of the particle. Different capping agents make them capable of sensing different analytes.Recently, these unique optical properties of metal nanoparticles are utilized in the field of fiber optic sensors for enhanced sensitivity, robustness and real time applications.Incorporation of metal nanoparticles such as gold, silver and copper nanoparticles into optical fibers pave way for new promising strategies for developing biological and chemical sensors. We work on environment friendly synthesis of silver, gold and other metal nanoparticles capped with different biomolecules and used for the detection and quantification of important analytes like dopamine, cysteine, ascorbic acid, ammonia and mercury, which are important in the diagnoses, monitoring, prevention and treatment ofseveral disorders.
Future perspective: Development of commercially viable LSPR based fiber optic sensor for biomedical applications.

Schematic diagram of NP-coated fiber optic dopamine sensor setup.Interaction of Natural drugs and its metal-nano- derivatives with DNA: Along with its anti-proliferating studies.

DNA is an important drug target facilitating the ability to manipulate vital processes.Drug molecules from plants are significant as many anticancer drugs are either from natural products or their derivatives. Various experimental techniques like UV-Vis spectroscopy, fluorescence, calorimetric techniques, Circular dichroism and electrophoresis are employed to understand the binding interaction. Further the binding mechanism is explored through Docking and Molecular Dynamics Simulation studies.

The emergence of Bio -Nano materials gives new prospects to researchers for solving the problems in biomedical applications. Comparative interaction studies between ct-DNA with natural drugs and its derivatives (nanoparticles) are also done through biophysical and computational techniques. MTT assay techniques are used to probe the cytotoxic effects of natural drugs and its derivatives to cancerous and normal human cells. Anti-bacterial studies
are also carried out on streptococcus bacteria, one of the major cancer causing agents in human beings.

Interactions studies of Nanoparticles with Proteins: A biophysical approach

Nanoparticles are increasingly considered for many biomedical applications such as imaging, targeted drug delivery vehicles, bio sensing and therapeutics. For the safe and effective use of nanoparticles in biomedical applications, it is necessary to understand the complex interactions between nanoparticles and biological systems and is also essential to assure the biocompatibility of developed nanoparticles. When the nanoparticles enter into the biological fluids, they interact with the plasma proteins and form a “protein corona”around the nanoparticles surface. Protein corona has significant role in modulating nanoparticle mobility and toxicity. It also regulates the nanoparticle-cell recognition. The interactions can alter the normal conformation and functioning of the proteins leading to unexpected biological reactions. The conjugation of nanoparticles with proteins may also increase the immunogenicity leading to undesired side effects. Therefore it is necessary to understand the physicochemical interactions of nanoparticles with proteins. We investigate the interactions of chalcogenide nanoparticles with proteins using spectroscopic and calorimetric techniques. It provides the information regarding the interacting forces, binding sites, binding affinity, conformational changes, and stability of the interacting molecules. The current investigations will certainly enhance the applications of nanoparticles in therapeutics and nano biotechnology.

Future Scope

Design and composition of nanoparticles for specific therapeutic applications such as bio-labelling, bio sensing and drug delivery.

Schematic representation of interactions of nanoparticles with Lysozyme and protein corona formation
Structure and Dynamics of Modified Nucleic Acids

 

Studies on size expanded nucleic acids mainly aim at the exploration of the structural properties of unnatural genetic system. The design and synthesis of size expanded nucleic acid analogs have revealed their unusual biophysical and biochemical properties. We aim to explore the conformational space of modified DNA and RNA duplex systems in order to understand the stability of the duplexes and the variation in the structural parameters on account of their modified bases through Molecular Dynamics simulation methods. Molecular Dynamics simulation methods were employed on modified xDNA, yDNA, xRNA and yRNA duplexes to investigate the possibility of expanding the natural helical alphabet by accommodating new base pairs. Future Scope: The structural investigation of base modified oligonucleotides can be useful in the design of more fluorescent nucleobase analogues which could be a potential tool in biological probing and sensing. They may also have applications in antisense therapeutics.

Size expanded versions of xRNA: Expanded Adenine rxA, Expanded Guanine rxG, Expanded Cytosine rxC and Expanded Uracil rxU.xRNA duplex containing natural and size expanded xA, xG, xC and xU ribo nucleobases. Base modified nucleic acids could expand the genetic alphabet and thereby enhance the functional potential of DNA.

Interaction of Phytochemicals with lectin may reveal new directions to glycobiology

The lectins are commonly defined as carbohydrate binding proteins showing considerable specificity in binding oligosaccharides through a carbohydrate recognizing domain (CRD). Protein glycosylation, one of the protein-modification events in which the protein generates its recognition structures for interaction with external ligands. Lectins have been implicated in most of these recognition events via their ability to decipher the glycocodes on the surface of cells. In addition to the essential carbohydrate-binding site,other functionally or structurally important sites may also be present on the lectins. However,lectin families might also interact with other molecules, such as non-protein amino acids and hydrophobic compounds. The presence of additional binding sites mainly for hydrophobic ligands, increases the versatility of lectins for future applications. Interaction studies between gallic acid and Spatholobus parviflorus (SPL) lectin had already been reported and thrown insight towards a new functional role of lectins in plant physiology. The study focuses on the binding studies of different non-carbohydrate ligands (n-CLs) with selected legume lectin without disturbing the site of sugar binding leaving the lectin free for molecular recognition. Even though further validation by X-ray crystallography was far challenging but makes it possible to elucidate the proper mode of ligand binding.

Future scopes includes experimental and sensible research strategy towards discovery of novel drug delivery systems targeting by profiling of cell-surface glycans,followed by controlled release of drugs.

Binding stategy of non-carbohydrate ligands with SPL lectin.

Accurate three dimensional structural features of chemical entities using X-ray Crystallography and First principle approach.

Our structural chemistry research focuses on the three dimensional molecular structure of highly functionalized organic materials, metal organic complexes and clusters to expose the supramolecular features with various applications from material science to biological systems. In recent scenario, much attention has been paid to explore the quantitative estimation of a variety of non-covalent interactions made available through a highly sophisticated method namely Hirshfeld surface analysis which facilitates crystal engineering applications. Enormous efforts have been provided to elucidate these interactions and their organizations to the supramolecular structural design; consequently, a proper understanding of these interactions is essential to extrapolate the structure-activity/property relationships precisely. This is rapidly gaining popularity and seeks to comprehend non-covalent interactions to reorganize molecules on the atomic level so as to achieve the goal of producing functional derivatization of materials with tuned activity.Cutting-edge quantum chemical tools being employed with sate of art workstations to optimize bonding characteristics, solvent effects and other structural parameters toward the activity of materials followed by a qualitative structure activity assessment for various materialistic applications. Optical profile of highly conjugated organic scaffolds associated with multiple functionalities is promising candidature to the photovoltaic, OLEDs and other lighting technologies. Structural modifications of these materials with respect to the supramolecular architecture can tune their optical behavior and can establish the mechanistic view of absorption and emission characteristics using the application of solution of time dependent Schrödinger equation through first principle approach.

Future scopes include experimental and theoretical charge density analysis on molecular crystals at extreme low temperature yielding quantitative basis to unravel intra and inter molecular bonding characteristics more effectively. We are also planning to perform a ‘mechanistic tribute’ to highly challenging multi-step organic reactions through
structural chemistry methods including transition state modeling.Through consultation perspective, our group supports the entire scientific community towards highly challenging crystallographic structure solution & refinement process up to publication level.

Multifunctional graphene-based SERS approach towards the detection of harmful plastcizers in plastic packaged food & beverages

Conventional plasmonic SERS substartes modified with graphene is known as Graphene mediated SERS (G-SERS). In G-SERS, graphene can take several roles:(1) a flat supporting graphene surface on which nanoparticles can be arranged ina controllable way (2) a spacer to avoid direct contact between the metal and the probe molecule, (3) protection from photoinduced defects and hence stabilization of SERS, (4) a vertical nanometer size gap for plasmonic field enhancement and (5) as a fluorescent quencher. Graphene mediated Surface Enhanced Raman spectroscopy (SERS) substrate with high electromagnetic enhancement is used to detect and evaluate the exposure of harmful chemicals from plastic food packaging. Plastics are indispensable part of modern life. All plastic is made from chemicals that have the potential to harm a person’s health. Bisphenol A (BPA) and bis(2-ethylhexyl) phthalate (DEHP) are two endocrine disrupting, high-production-volume chemicals used in plastics. When food is stored in plastic bags these chemicals can leach into the food and then be ingested. GSERS based sensors would be fabricated for the detection of BPA and DEHP and the real life samples like drinking water and medicines will be checked with the sensors that would be fabricated using the optimized G-SERS substrate.

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