Dalia Rokhsana
Assistant Professor (Computational and Bioinorganic Chemistry)

Dalia Rokhsana

Dalia joined the Chemistry Department at Whitman in Fall 2010. She teaches the General Chemistry, Computational Biochemistry, and Organic Laboratory Techniques courses, and her research interests include the synthesis and computational modeling of organometallic molecules.

Curriculum Vitae

Education and Current Position

2011-12 Assistant Professor, Whitman College, Walla Walla, WA.

2010-11 Visiting Assistant Professor, Whitman College, Walla Walla, WA.

2005 -10 Postdoctoral Research Associate, Montana State University, Bozeman, MT, USA Research Focus: Spectroscopic and Theoretical Investigation on Geometric and Electronic Structures of Copper Proteins (Amine and Galactose Oxidases) Supervisors: Prof. David M. Dooley and Prof. Robert K. Szilagyi

2000-05 Ph.D in Chemistry, The University of Montana, Missoula, MT, USA Title: Computational and Spectroscopic Investigation of Radical Anions of Triosmium Benzoheterocycle Clusters Supervisor: Prof. Edward Rosenberg

1998 B.Sc. in Chemistry, Jahangirnagar University, Dhaka, Bangladesh

Teaching Experience

2009-10 Montana State University, Bozeman, Montana
Instructor for Introduction to Organic and Biochemistry (CHMY 123, Spring 2010) Instructor for Principles of Biochemistry (BCHM 340, Summer 2009)

2007-10 Supervising REU and undergraduate students on protein expression and purification and its characterization via different spectroscopic techniques

2000-05 Teaching Assistant at The University of Montana, Missoula, MT
Classes: General and Inorganic, Organic and Biochemistry, Organic Chemistry (200 level) and Inorganic Chemistry laboratory (400 level)
Responsible for: Class recitation and discussion section, laboratory assistant, grading exams and lab reports for the freshmen classes, discussion leader for the sophomore organic class and lecturing lab materials and help with spectroscopic characterization of inorganic and coordination metal complexes for the senior inorganic class.

Research Experience

2005 Montana State University, Bozeman, Bozeman, MT
Working on the active site modeling of Cu-protein using DFT and ONIOM calculations.
Experience in protein expression and purification and its characterization via different spectroscopic techniques (XAS, UV/VIS, CD/MCD, EPR)

2000-05 The University of Montana, Missoula, MT
Experienced in organometallic synthesis, inert atmosphere glove box, cyclic voltammetry, various spectroscopic techniques (NMR, UV/VIS and FTIR)
Worked on the electronic structure of organometallic system using DFT calculation

Honors and Awards

2005 Outstanding Foreign Student Award from The University of Montana

2005 Diversity Student Achievement Award from The University of Montana

2002 Bertha Morton Scholarship for outstanding graduate student from The University of Montana

2002 Lola Walsh Anacker Scholarship for outstanding female graduate student from the Department of Chemistry, The University of Montana

Professional Association

American Chemical Society

Reviewer

Analytical biochemistry, ASME International Mechanical Engineering Congress and Exposition

Publications

1. Rokhsana D, Dooley DM, Szilagyi RK “Systematic development of computational models for the catalytic site in galactose oxidase: impact of outer-sphere residues on the geometric and electronic structures“ Journal of Biological Inorganic Chemistry, 2008, 13, 371-383

2. Rokhsana D, Dooley DM, Szilagyi RK “Structure of the oxidized active site of galactose oxidase from realistic in silico models“ Journal of the American Chemical Society, 2006, 128(49), 15550-15551

3. Kabir SE, Miah Md. A, Sarker NC, Hossain GMG, Hardcastle KI., Rokhsana D, Rosenberg E. “Reactions of the unsaturated triosmium cluster [(μ-H)Os3(CO)8(Ph2PCH2P(Ph) C6H4)] with HX (X = Cl, Br, F, CF3CO2,CH3CO2): X ray structures of [(μ-H)Os3 (CO)7(η1-Cl)( μ -Cl)2(μ -dppm)], [(μ-H)2Os3(CO)8(Ph2PCH2P(Ph)C6H4)]+[CF3O]- and the two isomers of [(μ-H)Os3(CO)8(μ-Cl)(μ-dppm)]“ Journal of Organometallic Chemistry, 2005, 690, 3044-3053

4. Mottalib Md. A, Begum N, Abedin SMT, Akter T, Kabir SE, Miah Md. A, Rokhsana D, Rosenberg E, Hossain GMG, Hardcastle KI “Reactions of electron-deficient triosmium clusters with diazomethane: electrochemical properties and computational studies of charge distribution“ Organometallics, 2005, 24(20), 4747-4759

5. Begum N, Hyder Md. I, Kabir SE, Hossain GMG, Nordlander E, Rokhsana D, Rosenberg E “ Dithiolate complexes of manganese and rhenium: X-ray structure and properties of an unusual mixed valence cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3“ Inorganic Chemistry, 2005, 44(26), 9887-9894

6. Rosenberg E, Rokhsana D, Nervi, C, Gobetto R, Milone L, Viale A, Fiedler J, Botavina MA “ Synthesis, reduction chemistry, and spectroscopic and computational studies of isomeric quinoline carboxaldehyde triosmium clusters“ Organometallics, 2004, 23(2), 215-223

7. Nervi C, Gobetto R, Milone L, Viale A, Rosenberg E, Spada F, Rokhsana D, Fiedler J “Solution properties, electrochemical behavior and protein interactions of water soluble triosmium carbonyl clusters“ Journal of Organometallic Chemistry, 2004, 689(10), 1796-1805

8. Begum N, Deeming A, Islam M, Kabir S, Rokhsana D, Rosenberg E “Reactions of benzothiazolide triosmium clusters with tetramethylthiourea“ Journal of Organometallic Chemistry, 2004, 689(16), 2633-2640

9. Nervi C, Gobetto R, Milone L, Viale A, Rosenberg E., Rokhsana D, Fiedler J “Spectroscopic and computational investigations of stable radical anions of triosmium benzoheterocycle clusters“ Chemistry--A European Journal, 2003, 9(23), 5749-5756

10. Rosenberg E, Abedin M J, Rokhsana D, Viale A, Dastru' W, Gobetto R, Milone L, Hardcastle K “Ligand dependent structural changes in the acid-base chemistry of electron deficient benzoheterocycle triosmium clusters“ Inorganic Chimica Acta, 2002, 334, 343-354

11. Rosenberg E, Abedin M J, Rokhsana D, Osella D, Milone L, Nervi C, Fiedler J “ The electrochemical behavior of electron deficient benzoheterocycle triosmium clusters“ Inorganic Chimica Acta, 2000, 300-302, 769-777

Invited Lecture

Rokhsana, D “In silico modeling of the active site structures of Cu-proteins: What are the key elements?“ organized by Center for Biomolecular Structure and Dynamics, The University of Montana, Oct 2009, Missoula, MT

Presentations

1. Rokhsana D, Dooley D M, Szilagyi R K “ Spectroscopic and theoretical investigations of the role of Tyr-Cys crosslink in galactose oxidase“ Symposium on Advance Biological Inorganic Chemistry, November 2009, Mumbai, India

2. Rokhsana D, Dooley D M, Szilagyi R K “Impact of the Tyr-Cys crosslink and the outer-sphere residues on the structures for the catalytic site in galactose oxidase“ ACS national meeting, March 2009, Salt Lake City, UT

3. Rokhsana D, Dooley D M, Szilagyi R K “Impact of the Tyr-Cys crosslink and the outer-sphere residues on the structures for the catalytic site in galactose oxidase“ Metals in Biology, Jan 2009, Ventura, CA

4. Rokhsana D, Dooley D M, Szilagyi RK “Systematic development of computational models for the catalytic site in galactose oxidase: impact of outer-sphere residues on the geometric and electronic structures“ International Symposium of Bio-Organometallic Chemistry, July 2008, Missoula, MT

5. Rokhsana D, Dooley D M, Szilagyi R K “Structure of the oxidized active site of galactose oxidase from realistic in silico models“ ACS Montana Section meeting, April 2007, Butte, MT

6. Rosenberg E, Rokhsana D, Nervi C, Gobetto R, Milone L, Viale A, Fiedler J, Botavina M A. “Synthesis, Reduction Chemistry, and spectroscopic and computational studies of isomeric quinoline carboxaldehyde triosmium clusters“ 58th ACS Northwest Regional Meeting, June 2003, Bozeman, MT

7. Nervi C, Gobetto R. Milone L, Viale A, Rosenberg E, Rokhsana D, Fiedler J “Spectroscopic and computational investigations of stable radical anions of triosmium benzoheterocycle clusters“ 57th ACS Northwest Regional Meeting, June 2002, Spokane, WA

8. Rokhsana D, Rosenberg E “Heterocyclic ligand cleavage of electron deficient benzoheterocycle triosmium clusters“ 56th ACS Northwest Regional Meeting, June 2001, Seattle, WA

9. Rokhsana D, Rosenberg E “Heterocyclic ligand cleavage of electron deficient benzoheterocycle triosmium clusters“ ACS Montana Section meeting, April 2001, Butte, MT



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