Dalia Biswas
Associate Professor of Chemistry, Chair of Chemistry
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Hall of Science 338
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509-527-5953 (phone)509-527-5904 (fax)
Associate Professor of Chemistry Dalia Biswas joined the Chemistry department at Whitman as a tenure-track assistant professor in the fall of 2011, following her role as a visiting professor during the 2010-11 academic year. Before her tenure at Whitman, Biswas conducted postdoctoral research in bioinorganic chemistry with Professors David Dooley and Robert Szilagyi at Montana State University. She earned her Ph.D. in inorganic chemistry from The University of Montana under the supervision of Professor Edward Rosenberg.
Biswas's academic journey began in Bangladesh, where she obtained a B.Sc. honors degree in chemistry from Jahangirnagar University in Dhaka. Her path from a small southwestern town in Bangladesh to prestigious academic institutions in the US exemplifies her dedication and passion for chemistry.
Currently, Biswas's research focuses on data chemistry and computational chemistry. Her projects involve computational modeling of the active sites of various molybdenum enzymes, such as CO dehydrogenase and sulfite oxidases. These enzymes are crucial in the global nitrogen, carbon, and oxygen cycles, as they transfer oxygen atoms between substrates and split water molecules. This research has the potential to revolutionize our understanding of energy production and aid in the design of catalysts for similar chemical transformations. In 2023, Biswas became a Data Chemist Network (DCN) affiliate with the NSF Center for Computer-Assisted Synthesis, contributing to various data chemistry projects within the center's scope.
At Whitman, Biswas teaches a wide range of courses, including General Chemistry Lecture and Lab, Advanced General Chemistry, Organic Laboratory Techniques, Computational Chemistry, and Biochemistry. Her vision of integrating computational chemistry into the chemistry curriculum has been successful. With the support of her colleagues, she led the design of the state-of-the-art Wilke Family Computational Lab, benefiting many students across various science disciplines.
Education
Ph.D Inorganic Chemistry
The University of Montana
2005
B.Sc. Chemistry Honors
Jahangirnagar University, Dhaka, Bangladesh
1998
Awards
Suzanne L. Martin Award for Excellence in Mentoring, Whitman College, 2017-2018.
Outstanding Foreign Student Award, The University of Montana, Missoula, MT, 2005.
Diversity Student Achievement Award, The University of Montana, Missoula, MT, 2005.
Bertha Morton Scholarship for outstanding graduate student, The University of Montana, Missoula, MT, 2002.
Lola Walsh Anacker Scholarship for outstanding female graduate student, Department of Chemistry, The University of Montana, Missoula, MT, 2002.
Teaching Philosophy
As a chemistry instructor, my primary goal is to ignite students' "chemical intuition," enabling them to instinctively grasp the properties of matter while honing their analytical skills, problem-solving abilities, critical thinking, and computational competencies. Chemistry is a vibrant and ever-evolving field, brimming with groundbreaking theories and discoveries. I weave current scientific literature into my courses to illustrate the broader context of chemical principles applied across natural and physical sciences. This approach transforms chemistry into a dynamic discipline, encouraging students to appreciate its interconnectedness with other scientific fields.
In both introductory and upper-level courses, I cover foundational knowledge and real-world applications through engaging lectures, hands-on laboratory experiments, and collaborative group activities. Students develop robust problem-solving and analytical skills, along with critical thinking, at all levels. In upper-level classes, we frequently delve into current research and independent projects, reinforcing fundamental concepts while sparking excitement and relevance by exploring cutting-edge topics like artificial intelligence (AI), quantum computing, data chemistry, public health, climate change, energy, etc.
Through these activities and exposures, students' chemical intuitions are cultivated, allowing them to see the profound connections between chemistry and the world around them.
Courses Taught at Whitman
- General Chemistry I (CHEM 125) & II (CHEM 126) Lecture
- General Chemistry I (CHEM 135) and II (CHEM 136) Lab
- Advanced General Chemistry Lecture and Lab (CHEM 140)
- Organic Lab Techniques I (CHEM 251) & II (CHEM 252)
- Computational Chemistry (CHEM 275)
- Inorganic Chemistry (CHEM 360)
- Advanced Synthesis (CHEM 370)
- Biochemistry (BBMB 325)
- Chemistry Seminar (CHEM 401 & CHEM 402)
- Computational Biochemistry (CHEM 425)
Aidan Durant ’27 (Chemistry), Mila Scarelos ’26 (Chemistry), Prof. Dalia Biswas, Jaime Irigoyen Lopez ’25 (BBMB), Benjamin Davis ’27 (Chemistry)
Data-Driven Discovery Meets Molecular Design
The Biswas Lab explores the dynamic interface of data-centric chemistry and computational methods to tackle complex molecular problems. Our work spans the modeling of small molecule activation by metalloenzymes—especially molybdenum-based systems—and the design and optimization of catalysts using machine learning and data science tools. From simulating biological transformations to predicting reaction outcomes, our research aims to decode chemical complexity and accelerate discoveries in sustainable energy and catalysis.
Check out our current projects below for more details.
Small Molecule Activation by Molybdenum Enzymes
Our group investigates how molybdenum-containing enzymes activate small, stable molecules through redox transformations essential to global carbon and sulfur cycles. We focus on two key enzymes—carbon monoxide dehydrogenase (CODH) and sulfite oxidase (SO)—from the molybdenum oxo-transferase family. These enzymes catalyze reactions using water-derived oxygen ligands to convert substrates such as CO, and sulfite under mild conditions. CODH operates at a binuclear Mo–Cu center to oxidize CO to CO₂, while SO catalyzes the oxygenation of sulfite to sulfate at a mononuclear Mo-center.
Through computational modeling, the Biswas Lab examines how oxidation state, ligand identity, protonation state, and active site mutations influence enzyme function. Comparing CODH and SO enables us to uncover both shared strategies and unique adaptations that fine-tune catalytic behavior. These insights inform the design of bioinspired, sustainable catalysts for energy and environmental applications.
Funding: NSF (Award #1807643), Whitman College, Murdock Charitable Trust, NSF
Center for Computer Assisted Synthesis (2024–25)
Researchers: Tao Large ’14, Morgan Dienst ’15, Liam Twomey ’21, Maxwell Brown ’21,
Lindsay Farr ’22, Nina Nampaso ’23, Jaime Irigoyen Lopez ’25, Mila Sacarelos ’26
Heteroaromatic Aryne Chemistry: Data Science, Computational, and Synthetic Approaches
Heteroaromatic arynes are short-lived, high-energy intermediates with remarkable potential in constructing complex molecular frameworks. Despite their synthetic utility, understanding and predicting their reactivity is difficult due to their fleeting nature and diverse reaction pathways. This multi-institutional research initiative—led by Professors Jessica Kisunzu (Colorado College) and Robert Paton (Colorado State University)—integrates synthetic organic chemistry, computational modeling, and data science to study the reactivity and selectivity of these challenging species. Benjamin Davis ’27 (Chemistry) will represent Whitman College on this interdisciplinary team. He will spend the summer working closely with postdoctoral researcher Dr. Graham Haug at Colorado State University, contributing to computational analyses and later joining synthetic efforts at Colorado College with Professor Kisunzu. His work will support the development of new reaction strategies and deepen mechanistic insights into heteroaryne chemistry.
Funding: NSF Center for Computer Assisted Synthesis (2025)
Collaborators: Prof. Robert Paton (CSU), Prof. Jessica Kisunzu (Colorado College)
Researchers: Dr. Graham Haug (CSU), Benjamin Davis ’27 (Whitman College)
Exploring the Regioselectivity of Acireductone Dioxygenase (ARD)
Acireductone dioxygenases (ARDs) are metalloenzymes involved in the methionine salvage pathway, exhibiting intriguing regioselectivity depending on their metal cofactors. Understanding how ARDs guide different reaction outcomes is critical to broader insights in enzymology, catalysis, and potential biomedical applications. This collaborative project—co-led by Professor Santiago Toledo (American University) and Professor Dalia Biswas (Whitman College)—uses both computational modeling and experimental methods to study the structural and mechanistic basis of ARD reactivity. Aidan Durant ’27 (Chemistry) will join Professor Toledo’s group at American University for a 10-week summer research internship. He will contribute to computational modeling of enzyme-substrate interactions and regioselective reaction pathways, helping bridge experimental and theoretical perspectives in enzyme catalysis.
Funding: NSF Center for Computer Assisted Synthesis (2025)
Collaborator: Prof. Santiago Toledo (American University)
Researcher: Aidan Durant ’27 (Whitman College)
19. "Kβ X-ray Emission Spectroscopy as a Probe of Cu(I) Sites: Application to the Cu(I) Site in Preprocessed Galactose Oxidase." Lim, H.; Baker, M.L.; Cowley, R.E.; Kim, S.; Bhadra, M.; Siegler, M.A.; Kroll, T.; Sokaras, D.; Weng, T-C.; Biswas, D.R.; Dooley, D.M.; Karlin, K.D.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. Inorganic Chemistry, 2020, 59(22), 16567-16581 [DOI: 10.1021/acs.inorgchem.0c02495] PDF
18. “Structure of the Reduced Copper Active Site in Pre-Processed Galactose Oxidase: Ligand Tuning for One-Electron O2 Activation in Cofactor Biogenesis” Cowley, R.E.; Cirera, J.; Qayyum, M. F.; Rokhsana, D.; Hedman, B.; Hodgson, K. O.; Dooley, D.M.; Solomon, E. I. Journal of American Chemical Society, 2016, 138 (40), 13219-13229 [DOI: 10.1021/jacs.6b05792] PDF
17. “A realistic in silico model for structure/function studies of molybdenum-copper CO dehydrogenase” Rokhsana, D.; Large, T.; Dienst, M.; Retegan, M., Neese, F. Journal of Biological Inorganic Chemistry, 2016, 21, 491-499 [DOI: 10.1007/s00775-016-1359-6] PDF
16. “Metal–Halogen Secondary Bonding in a 2,5-Dichlorohydroquinonate Cobalt(II) Complex: Insight into Substrate Coordination in the Chlorohydroquinone Dioxygenase PcpA” Schofield, J. A.; Brennessel, W. W.; Urnezius, E.; Rokhsana, D.; Boshart, M. D.; Juers, D. H.; Holland, P. L. and Machonkin, T. E. (2015), European Journal of Inorganic Chemistry, 2015: 4643–4647 [DOI: 10.1002/ejic.201500845] PDF
15. “Structural and Spectroscopic Characterization of Iron(II), Cobalt(II), and Nickel(II) Ortho-Dihalophenolate Complexes: Insights into Metal-Halogen Secondary Bonding” Machonkin, T. E.; Boshart, M. D.; Schofield, J. A.; Rodriguez, M. M.; Grubel, K.; Rokhsana, D.; Brennessel, W. W.; Holland, P. L. Inorganic Chemistry, 2014, 53(18), 9837-9848 [DOI: 10.1021/ic501424e] PDF
14. “The Role of the Tyr-Cys Crosslink to the active site properties of galactose oxidase” Rokhsana, D.; Howells, A. E.; Dooley, D. M.; Szilagyi, R. K. Inorganic Chemistry, 2012, 51(6), 3513-3512. [DOI: 10.1021/ic2022769] PDF
13. “Amine Oxidase and Galactose Oxidase” Chapter in Copper-Oxygen Chemistry, Rokhsana, D.; Shepard, E. M.; Brown, D. E.; and Dooley, D. M. (2011), Editors (K. D. Karlin and S. Itoh), John Wiley & Sons, Inc., Hoboken, NJ, USA. [DOI: 10.1002/9781118094365.ch3]
12. “Facile E-E and E-C bond activation of PhEEPh (E = Te, Se, S) by ruthenium carbonyl clusters: Formation of Di- and triruthenium complexes bearing bridging dppm and phenylchalcogenide and capping chalcogenido ligands” Begum, N.; Hyder, M. L.; Hassan, M. R.; Kabir, S. E.; Bennett, D. W.; Haworth, D. T.; Siddiquee, T. A.; Rokhsana, D.; Sharmin A.; Rosenberg, E. Organometallics, 2008, 27, 1550-1560 [DOI: 10.1021/om701042s] PDF
11. “Systematic development of computational models for the catalytic site in galactose oxidase: impact of outer-sphere residues on the geometric and electronic structures” Rokhsana, D.; Dooley, D. M.; Szilagyi, R. K. Journal of Biological Inorganic Chemistry, 2008, 13, 371-383 [DOI: 10.1007/s00775-007-0325-8] PDF
10. “Structure of the oxidized active site of galactose oxidase from realistic in silico models” Rokhsana, D.; Dooley, D. M.; Szilagyi, R. K. Journal of the American Chemical Society, 2006, 128(49), 15550-15551 [DOI: 10.1021/ja062702f] PDF
9. “Dithiolate complexes of manganese and rhenium: X-ray structure and properties of an unusual mixed valence cluster Mn3(CO)6(μ-η2-SCH2CH2CH2S)3” Begum, N.; Hyder, Md. I.; Kabir, S. E.; Hossain, G. M. G.; Nordlander, E.; Rokhsana, D.; Rosenberg, E. Inorganic Chemistry, 2005, 44(26), 9887-9894 [DOI: 10.1021/ic050987b] PDF
8. “Reactions of electron-deficient triosmium clusters with diazomethane: electrochemical properties and computational studies of charge distribution” Mottalib, Md. A.; Begum, N.; Abedin, S. M. T.; Akter, T.; Kabir, S. E.; Miah. Md. A.; Rokhsana, D.; Rosenberg, E.; Hossain, G. M. G.; Hardcastle, K. I. Organometallics, 2005, 24(20), 4747-4759 [DOI: 10.1021/om0503794] PDF
7. “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)]” Kabir, S. E.; Miah, Md. A.; Sarker, N. C.; Hossain, G. M. G.; Hardcastle, K. I.; Rokhsana, D.; Rosenberg, E. Journal of Organometallic Chemistry, 2005, 690, 3044-3053 [DOI: 10.1016/j.jorganchem.2005.03.041] PDF
6. “Reactions of benzothiazolide triosmium clusters with tetramethylthiourea” Begum, N.; Deeming, A.; Islam, M.; Kabir, S.; Rokhsana, D.; Rosenberg, EJournal of Organometallic Chemistry, 2004, 689(16), 2633-2640 [DOI: 10.1016/j.jorganchem.2004.05.023] PDF
5. “Solution properties, electrochemical behavior and protein interactions of water soluble triosmium carbonyl clusters” Nervi, C.; Gobetto, R.; Milone L.; Viale, A.; Rosenberg, E.; Spada, F.; Rokhsana, D.; Fiedler, J. Journal of Organometallic Chemistry, 2004, 689(10), 1796-1805 [DOI: 10.1016/j.jorganchem.2004.02.036] PDF
4. “Synthesis, reduction chemistry, and spectroscopic and computational studies of isomeric quinoline carboxaldehyde triosmium clusters” Rosenberg, E.; Rokhsana, D.; Nervi, C.; Gobetto, R.; Milone, L.; Viale, A.; Fiedler, J.; Botavina, M. A. Organometallics, 2004, 23(2), 215-223 [DOI: 10.1021/om030564m] PDF
3. “Spectroscopic and computational investigations of stable radical anions of triosmium benzoheterocycle clusters” Nervi, C.; Gobetto, R.; Milone, L.; Viale, A.; Rosenberg, E.; Rokhsana, D.; Fiedler, J. Chemistry-A European Journal, 2003, 9(23), 5749-5756 [DOI: 10.1002/chem.200305198] PDF
2. “Ligand dependent structural changes in the acid-base chemistry of electron deficient benzoheterocycle triosmium clusters” Rosenberg, E.; Abedin, M. J.; Rokhsana, D.; Viale, A.; Dastru', W.; Gobetto, R.; Milone, L.; Hardcastle, K. Inorganic Chimica Acta, 2002, 334, 343-354 [DOI: 10.1016/S0020-1693(02)00794-6] PDF
1. “The electrochemical behavior of electron deficient benzoheterocycle triosmium clusters” Rosenberg, E.; Abedin, M. J.; Rokhsana, D.; Osella, D.; Milone, L.; Nervi, C.; Fiedler. J. Inorganic Chimica Acta, 2000, 300-302, 769-777 [DOI: 10.1016/S0020-1693(00)00020-7] PDF