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Angel C. de Dios

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Personal Information

Physical Chemistry:

Born 1965; Associate Professor, Georgetown University, 2000-present; Assistant Professor, Georgetown University, 1995-2000; B.S., Ateneo de Manila University, Philippines, 1985; National Science Scholar, Philippines, 1981-1985; Ph.D., University of Illinois at Chicago, 1992; University of Illinois Fellow, 1987; Babler Award for Outstanding Teaching, 1988; Postdoctoral Research Associate, University of Illinois at Urbana-Champaign, 1992-1995; American Heart Association (Illinois Affiliate) Postdoctoral Fellow, 1995; Camille and Henry Dreyfus New Faculty Award, 1995-2000; National Science Foundation CAREER Development Award, 1999-2003; Visiting Scientist, National Institutes of Health, 2002-2004, Dean’s Award for Excellence in Teaching, 2004.

Website:

http://bouman.chem.georgetown.edu

Biosketch:

Born in Malabon on January 28, 1965 to Primitivo de Dios and Diega Cagandahan, a native of Paete, Laguna, Angel grew up in an old house in Sampaloc, Manila, but also spent his summer vacations in Paete. He finished elementary at the Quiapo Parochial School (1977) and graduated from secondary school at the Manila Science High School (1981). After high school, Angel received scholarship offers from Engineering, Equipment, Inc., the Department of Education State Scholarship Program, the National Science and Technology Authority, and the Ateneo de Manila University. He decided to pursue a BS Chemistry degree at the Ateneo with the National Science scholarship. He finished his Bachelor studies at the Ateneo in 1985 and decided to stay in that university for two years, serving as a part time lecturer. Upon graduation, the Philippine government honored Angel with an Award for Academic Excellence in Science.

In 1987, Angel entered graduate school in the United States of America. He was awarded a University Fellowship by the University of Illinois at Chicago during his first year of graduate studies. During his graduate studies and teaching assistantship, Angel received the Bernard Babler Award for the most outstanding teaching assistant in Chemistry. He also received a Student Service Award for helping organize a graduate student organization. He successfully defended his doctoral dissertation: “The Nuclear Magnetic Resonance Chemical Shift: Intra- and Intermolecular Effects” with Cynthia Jameson as adviser in 1992 and proceeded to postdoctoral work at the University of Illinois at Urbana-Champaign, joining the research group of Eric Oldfield. In Oldfield laboratory, Angel developed an explanation for the origins of chemical shift inequivalencies in peptides and proteins, paving a novel route for structure elucidation. A paper he co-authored with John Pearson and Eric Oldfield on this subject in the journal Science has been cited more than a couple of hundred times.

In 1994, Angel received a postdoctoral fellowship award from the American Heart Association (Illinois Affiliate). After completing his postdoctoral work, Angel joined the faculty of the Department of Chemistry at Georgetown University in Washington, DC in 1995. Upon starting his academic career, he received the Camille and Henry Dreyfus New Faculty Award, an honor given to the top ten starting faculty in the chemical science and chemical engineering departments in the US. Angel has been teaching General Chemistry, Physical Chemistry, Quantum Chemistry, Nuclear Magnetic Resonance at Georgetown. He has mentored several undergraduate students and another Filipino, Marlon Manalo received his PhD with Angel as mentor.

In 1999, Angel received a CAREER award from the National Science Foundation. The Faculty Early Career Development (CAREER) Program is a Foundation-wide activity that offers the National Science Foundation’s most prestigious awards in support of the early career-development activities of those teacher-scholars who are most likely to become the academic leaders of the 21st century. He also received funding from the American Chemical Society administered Petroleum Research Fund. His current research interests include development of antimalarial drugs. Working with two other chemists, Christian Wolf and Paul Roepe, this research program has recently been awarded a 2 million dollar grant by the National Institutes of Health.

Angel is also one of the recipients of the Georgetown College Dean’s Award for Excellence in Teaching in 2004. Angel has been recently admitted to the Philippine American Academy of Science and Engineering. He also serves as a specialist reporter for Britain’s Royal Society of Chemistry and as a Committee member for the Graduate Record Examination of the Educational Testing Service in Princeton, New Jersey. He has served in several review panels of the National Science Foundation and as peer reviewer in various scientific journals. He has co-edited a book, “The NMR Chemical Shift: Insights into Structure and Environment”, published by Oxford University Press and co-chaired a symposium by the American Chemical Society on NMR chemical shifts. Angel is currently an associate professor with tenure and the director of undergraduate studies at Georgetown.

Publications

  1. “Absolute shielding scale for P-31 from gas phase NMR studies.” C.J. Jameson, A.C. de Dios and A.K. Jameson, Chem. Phys. Lett., 1990, 167, 575-582.
  2. “Nuclear magnetic shielding of nitrogen in ammonia.” C.J. Jameson, A.C. de Dios and A.K. Jameson, J. Chem. Phys., 1991, 95, 1069-1079.
  3. “P-31 shielding in phosphine.” C.J. Jameson, A.C. de Dios and A.K. Jameson, J. Chem. Phys., 1991, 95, 9042-9053.
  4. “Nuclear magnetic resonance studies of xenon clusters in zeolite NaA.” C.J. Jameson, A.K. Jameson, R.E. Gerald II and A.C. de Dios, J. Chem. Phys., 1992, 96, 1676-1689.
  5. “Xe-129 nuclear magnetic resonance studies of xenon in zeolite CaA.” C.J. Jameson, A.K. Jameson, R.E. Gerald II and A.C. de Dios, J. Chem. Phys., 1992, 96, 1690-1697.
  6. “Ab initio calculations of the intermolecular shift in NMR in the gas phase and for adsorbed species.” C.J. Jameson and A.C. de Dios, J. Chem. Phys., 1992, 97, 417-434.
  7. “The nuclear magnetic resonance shielding as a function of intermolecular separation.” C.J. Jameson and A.C. de Dios, J. Chem. Phys., 1993, 98, 2208-2217.
  8. “The nuclear shielding surface: the shielding as a function of molecular geometry and intermolecular separation.” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Shielding and Molecular Structure, NATO Advanced Workshop, University of Maryland, College Park, MD, July 1992, Kluwer Academic Publishers, Dordrecht (1993), ed. J.A. Tossell, pp. 95-116.
  9. “Methods for computing nuclear magnetic resonance chemical shielding in large systems: Multiple cluster and charge field approaches.” A.C. de Dios and E. Oldfield, Chem. Phys. Lett., 1993, 205, 108-116.
  10. “Secondary and tertiary structural effects on protein NMR chemical shifts.” A.C. de Dios, J.G. Pearson and E. Oldfield, Science, 1993, 260, 1491-1496.
  11. “Chemical shifts in proteins: an ab initio study of carbon-13 nuclear magnetic resonance chemical shielding in glycine, alanine and valine.” A.C. de Dios, J.G. Pearson and E. Oldfield, J. Am. Chem. Soc., 1993, 115, 9768-9773.
  12. “Computing nuclear magnetic resonance chemical shielding in large systems via multipole shielding polarizabilities.” J.D. Augspurger, A.C. de Dios, E. Oldfield and C.E. Dykstra, Chem. Phys. Lett., 1993, 213,211-216.
  13. “NMR chemical shifts and structure refinement in proteins.” D.D. Laws, A.C. de Dios and E. Oldfield, J. Biomol. NMR, 1993, 3, 607-612.
  14. “An ab initio study of the effects of torsion angles on carbon-13 nuclear magnetic resonance chemical shielding in N-formyl-L-alanine amide, N-formyl-L-valine amide and some simpler model compounds: Applications to protein NMR spectroscopy.” A.C. de Dios and E. Oldfield, J. Am. Chem. Soc., 1994, 116, 5307-5314.
  15. “Evaluating 19F chemical shielding in fluorobenzenes: Implications for chemical shifts in proteins.” A.C. de Dios and E. Oldfield, J. Am. Chem. Soc., 1994, 116, 7453-7454.
  16. “Predicting carbon-13 nuclear magnetic resonance chemical shielding in zwitterionic L-threonine and L-tyrosine via quantum chemistry.” A.C. de Dios, D.D. Laws and E.Oldfield, J. Am. Chem. Soc., 1994, 116, 7784-7786.
  17. “NMR studies of biopolymers: analyzing chemical shifts.” E. Oldfield, A. C. de Dios, J. G. Pearson and H. Le, Polymer Science and Engineering, 1994, 71, 263-266.
  18. “The NMR chemical shift: Insight into structure and environment.” A.C. de Dios and C.J. Jameson, Annual Reports on NMR Spectroscopy, 1994, 29, 1-69. Academic Press, London, 1994, ed. G.A. Webb.
  19. “Chemical shifts of carbonyl carbons in peptides and proteins.” A.C. de Dios and E. Oldfield, J. Am. Chem. Soc., 1994, 116, 11485-11488.
  20. “129Xe MAS NMR spectra of xenon in zeolite NaA. Direct observation of mixed clusters of co-adsorbed species.” A.K. Jameson, C.J. Jameson, A.C. de Dios, E. Oldfield, R. E. Gerald II and G.L. Turner, Solid State NMR, 1995, 4, 1-12.
  21. “Protein Structure Refinement and Prediction via Quantum Chemistry and NMR Chemical Shifts.” H. Le, J.G. Pearson, A.C. de Dios and E. Oldfield, J. Am. Chem. Soc., 1995, 117, 3800-3807.
  22. A. K. Jameson, C. J. Jameson, A. C. de Dios, E. Oldfield and R. E. Gerald II, in Zeolite Science 1994: Recent Progress and Discussions (Studies in Surface Science and Catalysis), H. G. Karge and J. Weitkamp, eds., Elsevier Science, Amsterdam, 1995, Vol. 98, 85-86.
  23. “A basis size dependence study of carbon-13 nuclear magnetic resonance spectroscopic shielding in alanyl and valyl fragments towards protein shielding hypersurfaces.” D. D. Laws, H. Le, A.C. de Dios, R.H. Havlin and E. Oldfield, J. Am. Chem. Soc., 1995, 117, 9542-9546.
  24. “Recent progress in understanding chemical shifts.” A.C. de Dios and E. Oldfield, Solid State NMR, 1996, 6, 101-125.
  25. “Chemical shift interpretation in biological systems.” A.C. de Dios and E. Oldfield, Encyclopedia of NMR, 1996, Vol. 2, 1330-1336.
  26. “Ab initio calculations of the NMR chemical shift.” A.C. de Dios, Prog. NMR Spectrosc., 1996, 29, 229-278.
  27. “Ab initio calculations of 119Sn magnetic shielding.” A.C. de Dios, Magn. Reson. Chem., 1996, 34, 773-776.
  28. “Chemical shift tensors in peptides: A quantum mechanical study.” A.E. Walling, R.E. Pargas and A.C. de Dios, J. Phys. Chem. A, 1997, 101, 7299-7303.
  29. “13C and 17O chemical shifts and CO stretching frequency of carbon monoxide bound to Fe2+.” A.C. de Dios and E.M. Earle, J. Phys. Chem. A, 1997, 101, 8132-8134.
  30. “129Xe shielding with N2 and CO as collision partners.” A.C. de Dios and C.J. Jameson, J. Chem. Phys., 1997, 107, 4253-4270.
  31. “An ab initio quantum chemical investigation of carbon-13 NMR shielding tensors in glycine, alanine, valine, isoleucine, serine and threonine: Comparisons between helical and sheet tensors, and the effects of c1 on shielding.” R.H. Havlin, H. Le, D.D. Laws, A.C. de Dios and E. Oldfield, J. Am. Chem. Soc., 1997, 119, 11951-11958.
  32. “Ab initio study of HOCl, HCl, H2O and Cl2 interacting with four water molecules mimicking a hexagonal ice surface. ” F.M. Geiger, J.M. Hicks and A.C. de Dios, J. Phys. Chem. A, 1998, 102, 1514-1522.
  33. “An experimental and quantum chemical investigation of CO binding to heme proteins and model systems: A unified model based on 13C, 17O, 57Fe nuclear magnetic resonance, 57Fe Mossbauer and infrared spectroscopy.” M. McMahon, A.C. de Dios, N. Godbout, R. Salzman, D.D. Laws, H. Le, R.H. Havlin and E. Oldfield, J. Am. Chem. Soc., 1998, 120, 4784-4797.
  34. “15N shielding of the nitrosyl ligand in Co(NO)(TPP).” A.C. de Dios and J.L. Roach, J. Phys. Chem. A, 1999, 103, 3062-3065.
  35. “Application of nuclear shielding surfaces to the fundamental understanding of adsorption and diffusion in microporous solids.” C.J. Jameson, A.K. Jameson, A.C. de Dios, R.E. Gerald II, H.M. Lim and P. Kostikin, in Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment , ACS Symposium Series 732, J.C. Facelli and A.C. de Dios, eds. 1999, 335-348.
  36. “The NMR chemical shift: Local geometry effects.” A.C. de Dios, J.L. Roach and A.E. Walling, in Modeling NMR Chemical Shifts: Gaining Insights into Structure and Environment , ACS Symposium Series 732, J.C. Facelli and A.C. de Dios, eds. 1999, 220-239.
  37. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 1999, 28, 42-76.
  38. “Tetrameric octi(p-phenylene) self-assemblies in aqueous solution: Proof of principle of a novel structural motif.” B. Baumeister, A.C. de Dios and S. Matile, Tetrahedron Letters, 1999, 40, 4623.
  39. “Solid state 15N NMR chemical anisotropy of histidines: Experimental and theoretical studies of hydrogen bonding.” Y. Wei, A.C. de Dios and A.E. McDermott, J. Am. Chem. Soc., 1999, 121, 10389-10394.
  40. “Alkali metal NMR chemical shielding as a probe of local structure: An experimental and theoretical study of Rb+ in halide lattices.” A.C. de Dios, A.E. Walling, I. Cameron, C.I. Ratcliffe and J.A. Ripmeester, J. Phys. Chem., 2000, 104, 908-914.
  41. “Theoretical and Physical Aspects of Nuclear Shielding.” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2000, 29, 41-84.
  42. “13C Chemical Shielding Tensors in Ampicillin and Penicillin-V: A Theoretical Study.” J.E. Rich, M.N. Manalo and A.C. de Dios, J. Phys. Chem., 2000, 104, 5837-5842.
  43. “Solvent Effects on 15N NMR Shielding of 1,2,4,5-Tetrazine and Isomeric Tetrazoles: Continuous Set Gauge Transformation Calculation Using the Polarizable Continuum Model.” M.N. Manalo, A.C. de Dios and R. Cammi, J. Phys. Chem., 2000, 104, 9600-9604.
  44. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2001, 30, 46-67.
  45. “Annual Reports on NMR Spectroscopy Volume 41” A.C. de Dios, J. Am. Chem. Soc. 2001, 123, 5618.
  46. “13C Chemical Shifts in Octanethiols Adsorbed on Gold: A Theoretical Study” A.C. de Dios and A.E. Abraham, J. Molecular Structure, 2002, 602-603, 209-214.
  47. “Xe NMR Lineshapes in Nanochannels” C.J. Jameson and A.C. de Dios, J. Chem. Phys., 2002, 116, 3805-3821.
  48. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2002, 31, 48-78.
  49. “Solution Structures of Antimalarial Drug-Heme Complexes” A. Leed, K. DuBay, L.M.B. Ursos, D. Sears, A.C. de Dios and P.D. Roepe, Biochemistry, 2002, 41, 10245-10255.
  50. “An Ab Initio Study of Solvent Polarity and Hydrogen Bonding Effects on the Nitrogen NMR Shieldings of N,N-dimethylacetamidine” M.N. Manalo and A.C. de Dios, Magn. Reson. in Chem., 2002, 40, 781-785.
  51. “The 129Xe Nuclear Shielding Tensor Surfaces for Xe Interacting with Rare Gas Atoms” C.J. Jameson, D.N. Sears and A.C. de Dios, J. Chem. Phys., 2003, 118, 2575-2580.
  52. “13C NMR Spectroscopy of 13C1-Labeled Octanethiol-Protected Au Nanoparticles: Shifts, Relaxations, and Particle Size” B.S. Zelakiewicz, A.C. de Dios and Y.Y. Tong, J. Am. Chem. Soc., 2003, 125, 18-19.
  53. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2003, 32, 43-74.
  54. “NMR Studies of Chloroquine – Ferriprotoporphyrin IX Complex” A.C. de Dios, R. Tycko, L.M.B. Ursos, P.D. Roepe, J. Phys. Chem., 2003, 107, 5821-5825.
  55. “NMR Studies of Peptide T, an Inhibitor of HIV infectivity, in an aqueous environment” A.C. de Dios, D.N. Sears, R. Tycko, J. Peptide Science, 2004, 10, 622-630.
  56. “CSGT-DFT Calculation of 13C and 15N NMR Shielding of the Backbone Amide Group, 13Ca, and 13Cb in w-Conotoxin GVIA” M.N. Manalo and A.C. de Dios, J. Mol. Struct. (THEOCHEM), 2004, 675, 1-8.
  57. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2004, 33, 47-75.
  58. “A 13C NMR Study of the Self-Association of Chloroquine, Amodiaquine, and Quinine” L.B. Casabianca and A.C. de Dios, J. Phys. Chem., 2004, 108, 8505-8513.
  59. “Structure of the Amodiaquine – FPIX m oxo Dimer Solution Complex at Atomic Resolution.” A.C. de Dios, L.B. Casabianca, A. Kosar and Paul D. Roepe, Inorg. Chem., 2004, 43, 8078-8084.
  60. “Correlations Between 31P Chemical Shift Anisotropy and Molecular Structure in Polycrystalline O,O’-Dialkyldithiophosphate Zinc(II) and Nickel(II) Complexes: 31P CP/MAS NMR and ab-initio Quantum Mechanical Calculation Studies.” A-C. Larsson, A.V. Ivanov, W. Forsling, O.N. Antzutkin, A.E. Abraham and A.C. de Dios, J. Am. Chem. Soc., 2005, 127, 2218-2230.
  61. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2005, 34, 57-86.
  62. “Interactions Between Pairs of Antimalarial Drugs Studied by 13C NMR Chemical Shifts.” L.B. Casabianca and A.C. de Dios, Magn. Reson. Chem., 2006, 44, 276-282.
  63. “Carbon Chemical Shift Tensor Components in Quinolines and Quinoline N-Oxides.” L.B. Casabianca, C.M. Faller, and A.C. de Dios, J. Phys. Chem. A, 2006, 110, 234-240.
  64. “Relationship Between NMR Shielding and Heme Binding Strength for a Series of 7-substituted Quinolines.” L.B. Casabianca and A.C. de Dios, J. Phys. Chem. A, 2006, 110, 7787-7792.
  65. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios, in Nuclear Magnetic Resonance , The Royal Society of Chemistry, London, 2006, 35, 52-81.
  66. “Synthesis, Structural and Larvicidal Studies of Some Triorganotin 2-(p-chlorophenyl)-3-methylbutyrates” G. Eng, X. Song, A. Zapata, A.C. de Dios, L. Casabianca, and R.D. Pike, J. Organometallic Chem., 2007, 692, 1398-1404.
  67. “Synthesis, larvicidal, QSAR and structural studies of some triorganotin 2,2,3,3-tetramethylcyclopropanecarboxylates” X. Song, A. Zapata, J. Hoerner, A.C. de Dios, L. Casabianca, and G. Eng, Appl. Organometal. Chem., 2007, 21, 545-550.
  68. “Characterization of Polymorphs and Solid-State Reactions for Paramagnetic Systems by 13C Solid-State NMR and ab Initio Calculations” M.A. Shaibat, L.B. Casabianca, N.P. Wickramasinghe, S. Guggenheim, A.C. de Dios, and Y. Ishii, J. Am. Chem. Soc., 2007, 129, 10968-10969.
  69. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios in Nuclear Magnetic Resonance, The Royal Society of Chemistry, London, 2007, 36, 50-71.
  70. “Ab Initio Calculations of NMR Chemical Shifts” L.B. Casabianca and A.C. de Dios, J. Chem. Phys., 2008, 128, 052201.
  71. “Progress in 13C and 1H solid-state NMR for paramagnetic systems under very fast MAS” N.P. Wickramasinghe, M.A. Shaibat, C.R. Jones, L.B. Casabianca, A.C. de Dios, J.S. Harwood, and Y. Ishii, J. Chem. Phys., 2008, 128, 052210.
  72. “Overcoming Drug Resistance to Heme-Targeted Antimalarials by Systematic Side Chain Variation of 7-Chloro-4-aminoquinolines” K. Yearick, K. Ekoue-Kovi, D.P. Iwaniuk, J.K. Natarajan, J. Alumasa, A.C. de Dios, P.D. Roepe, and C. Wolf, J. Med. Chem., 2008, 51(7), 1995-1998.
  73. “4-N, 4-S & 4-O Chloroquine Analogues: Influence of Side Chain Length and Quinolyl Nitrogen pKa on Activity vs. Chloroquine Resistant Malaria” J.K. Natarajan, J. Alumasa, K. Yearick, K. Ekoue-Kovi, L.B. Casabianca, A.C. de Dios, C. Wolf, and P.D. Roepe, J. Med. Chem., 2008, 51(7), 3466-3479.
  74. “Quinine and Chloroquine Differentially Perturb Heme Monomer – Dimer Equilibrium” L.B. Casabianca, D. An, J.K. Natarajan, J. Alumasa, P.D. Roepe, C. Wolf, and A.C. de Dios, Inorg. Chem., 2008, 47, 6077-6081.
  75. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios in Nuclear Magnetic Resonance, The Royal Society of Chemistry, London, 2008, 37, 51-67.
  76. “Synthesis and Antimalarial Activity of New 4-Amino-7-Chloroquinolyl Amides, Sulfonamides, Ureas and Thioureas” K. Ekoue-Kovi, K. Yearick, D.P. Iwaniuk, J.K. Natarajan, J. Alumasa, A.C. de Dios, P.D. Roepe, C. Wolf, Bioorg. Med. Chem., 2009, 17, 270-283.
  77. “Antimalarial Drugs and Heme in Detergent Micelles: An NMR Study” L.B. Casabianca, J.B. Kallgren, J.K. Natarajan, J.N. Alumasa, P.D. Roepe, C. Wolf, and A.C. de Dios, J. Inorg. Biochem., 2009, 103, 745-748.
  78. “Synthesis and Structural Determination of Two Triphenyltin Thiosalicylates” R. Knighton, X. Song, R. Pike, A.C. de Dios, L. Casabianca, and G. Eng, J. Coord. Chem., 2009, in press.
  79. “Synthesis and antimalarial activity of new chloroquine analogues carrying a multifunctional linear side chain” D.P. Iwaniuk, E.D. Whetmore, N.Rosa, K. Ekoue-Kovi, J. Alumasa, A.C. de Dios, P.D. Roepe, and C. Wolf, Bioorg. Med. Chem., 2009, in press.
  80. “Theoretical and Physical Aspects of Nuclear Shielding” C.J. Jameson and A.C. de Dios in Nuclear Magnetic Resonance, The Royal Society of Chemistry, London, 2009, 38, 68-93.
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