Doctoral work

1. Electronegativity and Bader’s bond critical point. S. Hati and D. Datta (1992) J. Comput. Chem. 13, 912–918.

2. Anomeric effect and hardness. S. Hati and D. Datta (1992) J. Org. Chem. 57, 6056–6057.

3. The Hammett substituent constant and hardness. S. Hati and D. Datta (1994) J. Chem. Res. (S) 90 - 91; (M) 0555–0567.

4. Chemical hardness of metal ions in the gas phase: a thermochemical approach. S. Hati and D. Datta (1994) J. Chem. Soc. Dalton Trans. 2177–2180.

5. Hardness and electric dipole polarizability. Atoms and clusters. S. Hati and D. Datta (1994) J. Phys. Chem. 98, 10451–10454.

6. Nature of the active sites in haemocyanin and iron nickel hydrogenases: the bond valence sum approach.  S. Hati and D. Datta (1995) J. Chem. Soc. Dalton Trans. 1177–1182.

7. Electronegativity and static electric dipole polarizability of atomic species. A semiemperical relation. S. Hati and D. Datta (1995) J. Phys. Chem. 99, 10742–10746.

8. At most, only one electron can be added to a free atom on gas phase. S. Hati and D. Datta (1996) J. Phys. Chem. 100, 4828 - 4830.

9. Polarizability of an ion in a molecule. Application of Rittner’s model to alkali halides and hydrides revisited. S. Hati, B. Datta and D. Datta (1996) J. Phys. Chem., 100, 19808–19811.

10. A molecular orbital approach towards designing ligand constants. J. P. Naskar, S. Hati and D. Datta (1996) Proc. Indian Acad. Sci. (Chem. Sci.)108, 101–107.

11. Hardness: A concept in inorganic chemistry. Some aspects. S. Hati and D. Datta (1996) Proc. Indian Acad. Sci (Chem. Sci.) 108,143–158.

12. Drago’s e, c, t parameters for some mono- and bivalent metal ions. Lack of correspondence with Pearson’s chemical hardness. S. Hati and D. Datta (1996) Proc. Indian Acad. Sci (Chem. Sci.)108, 445–449.

13. A new bond-valence sum model. J. P. Naskar, S. Hati and D. Datta (1997) Acta Cryst. B23, 885–894.

14. First example of a copper (I)-water bond. Synthesis and structure of spiral poly m-2, 3-diphenylquinoxaline-(aqua) copper (I) cation. J. P. Naskar, S. Hati, D. Datta and Derek A. Tocher (1997) J. Chem. Soc., Chem. Commun. 1319–1320.

15. The crystal structure of 2, 3-dihydro-2, 2, 4-trimethyl-1, 4-1, 5 benzodiazepinium perchlorate. J. P. Naskar, S. Hati, D. Datta, U. Samanta and P. Chakrabarti (1998) Z. Krist., 1998, 213,112–114.

16. Proofs for Pearson’s HSAB principle. G. K. Patra, S. Hati and D. Datta (1999) Indian J. Chem. 38A,  1–3.

17. Structure and metal binding of a 1H-1, 5-benzodiazepine. U. Samanta, P. Chakrabarti, J. P. Naskar, S. Hati and D. Datta (1999) Indian J. Chem. 38A, 553–557.

18. ‘Padlock’ to generate azamacrocyclic complexes of Ni (II) containing fused aromatic rings. N. A. Lewis, G. K. Patra, S. Hati and D. Datta (1999) Indian J. Chem. 38A, 985–990.

19. First structurally characterized metal complex of a 2H-benzimidazole derivative. Copper mediated synthesis of 2, 2-dimethyl-2H-benzimidazole from 1, 2-phenylenediamine and acetone. S. Hati, G. K. Patra, J. P. Naskar, M. G. B. Drew and D. Datta (2001) New J. Chem. 218–220.

Postdoctoral work

20. Interactions of vanadate with ?-hydroxycarboxylic acids. S. Hati, R. J. Batchelor, F. W. B. Einstein and A. S. Tracey. (2001) Inorg. Chem. 40, 6258–6265.

21. Comparative modeling of the phosphatase and kinase domains of protein tyrosine phosphatase and insulin receptor kinase from Drosophila melanogaster (DPTP61fm) and a computational study of their mutual interactions. S. Hati, S. Bhattacharyya, J. V. Price and A. S. Tracey. (2002) Biochemistry and Cell Biology 80, 225–239.

22. Nickel²⁺- mediated assembly of an RNA-amino acid complex. S. Hati, A. R. Boles, J. M. Zaborske, B. Bergman, A. L. Posto, and D. H. Burke. (2003) Chem. and Biol. 10, 1129–1137.

(Prof. M. Yarus, Department of Molecular, Cellular and Developmental Biology, University of Colorado wrote a preface of this work: “RNA as multitude/RNA as one”, Chem. Biol., 2003, 10, 1146–1148)

23. Pre-transfer editing by class II prolyl-tRNA synthetase: role of aminoacylation active site in “selective release” of noncognate amino acids. S. Hati, B. Ziervogel, J. SternJohn, F. C. Wong, M. C. Nagan, A. R. Rosen, P. G. Siliciano, J. Chihade and K. Musier-Forsyth. (2006) J. Biol. Chem. 281, 27862–27872.

24. Restoring species-specific posttransfer editing activity to a synthetase with a defunct editing domain.  J. SternJohn, S. Hati, P. G. Siliciano and K. Musier-Forsyth (2007) Proc. Natl. Acad. Sci. USA, 104, 2127–2132 .

Research work at UWEC

25. Low-frequency normal mode calculations and statistical coevolution analysis: Identification of amino acid clusters essential for coupled domain motion in Thermus thermophilus leucyl-tRNA synthetase. K. Weimer, B. Shane, M. Brunetto, S. Bhattacharyya and S. Hati. Manuscript in preparation.