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Angel C. de Dios - Publications

Affiliations: 
Chemistry Georgetown University, Washington, DC 
Area:
NMR
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46/74 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Jameson CJ, De Dios AC. Theoretical and physical aspects of nuclear shielding Nuclear Magnetic Resonance. 44: 46-75. DOI: 10.1039/9781847553744-00001  0.558
2012 de Dios AC, Jameson CJ. Recent Advances in Nuclear Shielding Calculations Annual Reports On Nmr Spectroscopy. 77: 1-80. DOI: 10.1016/B978-0-12-397020-6.00001-5  0.569
2011 Alumasa JN, Gorka AP, Casabianca LB, Comstock E, de Dios AC, Roepe PD. The hydroxyl functionality and a rigid proximal N are required for forming a novel non-covalent quinine-heme complex. Journal of Inorganic Biochemistry. 105: 467-75. PMID 20864177 DOI: 10.1016/J.Jinorgbio.2010.08.011  0.69
2009 Casabianca LB, Kallgren JB, Natarajan JK, Alumasa JN, Roepe PD, Wolf C, de Dios AC. Antimalarial drugs and heme in detergent micelles: An NMR study. Journal of Inorganic Biochemistry. 103: 745-8. PMID 19223262 DOI: 10.1016/J.Jinorgbio.2009.01.013  0.693
2009 Knighton R, Song X, Pike R, De Dios AC, Casabianca L, Eng G. Synthesis and structural determination of two triphenyltin thiosalicylates Journal of Coordination Chemistry. 62: 3110-3116. DOI: 10.1080/00958970903038426  0.682
2008 Casabianca LB, An D, Natarajan JK, Alumasa JN, Roepe PD, Wolf C, de Dios AC. Quinine and chloroquine differentially perturb heme monomer-dimer equilibrium. Inorganic Chemistry. 47: 6077-81. PMID 18533646 DOI: 10.1021/Ic800440D  0.671
2008 Natarajan JK, Alumasa JN, Yearick K, Ekoue-Kovi KA, Casabianca LB, de Dios AC, Wolf C, Roepe PD. 4-N-, 4-S-, and 4-O-chloroquine analogues: influence of side chain length and quinolyl nitrogen pKa on activity vs chloroquine resistant malaria. Journal of Medicinal Chemistry. 51: 3466-79. PMID 18512900 DOI: 10.1021/Jm701478A  0.665
2008 Wickramasinghe NP, Shaibat MA, Jones CR, Casabianca LB, de Dios AC, Harwood JS, Ishii Y. Progress in 13C and 1H solid-state nuclear magnetic resonance for paramagnetic systems under very fast magic angle spinning. The Journal of Chemical Physics. 128: 052210. PMID 18266415 DOI: 10.1063/1.2833574  0.68
2008 Casabianca LB, de Dios AC. Ab initio calculations of NMR chemical shifts. The Journal of Chemical Physics. 128: 052201. PMID 18266406 DOI: 10.1063/1.2816784  0.712
2007 Shaibat MA, Casabianca LB, Wickramasinghe NP, Guggenheim S, de Dios AC, Ishii Y. Characterization of polymorphs and solid-state reactions for paramagnetic systems by 13C solid-state NMR and ab initio calculations. Journal of the American Chemical Society. 129: 10968-9. PMID 17705472 DOI: 10.1021/Ja0703980  0.7
2007 Eng G, Song X, Zapata A, de Dios AC, Casabianca L, Pike RD. Synthesis, structural and larvicidal studies of some triorganotin 2-(p-chlorophenyl)-3-methylbutyrates Journal of Organometallic Chemistry. 692: 1398-1404. DOI: 10.1016/J.Jorganchem.2006.11.030  0.684
2007 Song X, Zapata A, Hoerner J, De Dios AC, Casabianca L, Eng G. Synthesis, larvicidal, QSAR and structural studies of some triorganotin 2,2,3,3-tetramethylcyclopropanecarboxylates Applied Organometallic Chemistry. 21: 545-550. DOI: 10.1002/Aoc.1241  0.688
2006 Casabianca LB, de Dios AC. Relationship between NMR shielding and heme binding strength for a series of 7-substituted quinolines. The Journal of Physical Chemistry. A. 110: 7787-92. PMID 16789763 DOI: 10.1021/Jp061320T  0.666
2006 Casabianca LB, de Dios AC. Interactions between pairs of antimalarial drugs studied by experimental and ab initio (13)C NMR chemical shifts. Magnetic Resonance in Chemistry : Mrc. 44: 276-82. PMID 16477692 DOI: 10.1002/Mrc.1755  0.705
2006 Casabianca LB, Faller CM, de Dios AC. Carbon chemical shift tensor components in quinolines and quinoline N-oxides. The Journal of Physical Chemistry. A. 110: 234-40. PMID 16392860 DOI: 10.1021/Jp055372E  0.696
2004 de Dios AC, Casabianca LB, Kosar A, Roepe PD. Structure of the amodiaquine-FPIX mu oxo dimer solution complex at atomic resolution. Inorganic Chemistry. 43: 8078-84. PMID 15578847 DOI: 10.1021/Ic0489948  0.701
2004 De Dios AC, Sears DN, Tycko R. NMR studies of peptide T, an inhibitor of HIV infectivity, in an aqueous environment. Journal of Peptide Science : An Official Publication of the European Peptide Society. 10: 622-30. PMID 15526711 DOI: 10.1002/psc.571  0.701
2004 Casabianca LB, De Dios AC. 13C NMR study of the self-association of chloroquine, amodiaquine, and quinine Journal of Physical Chemistry A. 108: 8505-8513. DOI: 10.1021/Jp047361B  0.721
2004 Manalo MN, De Dios AC. CSGT-DFT calculation of 13C and 15N NMR shielding of the backbone amide group, 13Cα, and 13Cβ in ω-Conotoxin GVIA Journal of Molecular Structure: Theochem. 675: 1-8. DOI: 10.1016/J.Theochem.2003.12.028  0.782
2003 Jameson CJ, Sears DN, De Dios AC. The 129Xe nuclear shielding tensor surfaces for Xe interacting with rare gas atoms Journal of Chemical Physics. 118: 2575-2580. DOI: 10.1063/1.1534093  0.763
2003 De Dios AC, Tycko R, Ursos LMB, Roepe PD. NMR studies of chloroquine-ferriprotoporphyrin IX complex Journal of Physical Chemistry A. 107: 5821-5825. DOI: 10.1021/Jp0342982  0.309
2002 Leed A, DuBay K, Ursos LM, Sears D, De Dios AC, Roepe PD. Solution structures of antimalarial drug-heme complexes. Biochemistry. 41: 10245-55. PMID 12162739 DOI: 10.1021/Bi020195I  0.73
2002 Jameson CJ, De Dios AC. Xe nuclear magnetic resonance line shapes in nanochannels Journal of Chemical Physics. 116: 3805-3821. DOI: 10.1063/1.1446424  0.505
2002 Manalo MN, De Dios AC. An ab initio study of solvent polarity and hydrogen bonding effects on the nitrogen NMR shieldings of N,N-dimethylacetamidine Magnetic Resonance in Chemistry. 40: 781-785. DOI: 10.1002/Mrc.1095  0.767
2000 De Dios AC, Walling A, Cameron I, Ratcliffe CI, Ripmeester JA. Alkali metal NMR chemical shielding as a probe of local structure: An experimental and theoretical study of Rb+ in halide lattices Journal of Physical Chemistry A. 104: 908-914. DOI: 10.1021/Jp994043H  0.312
2000 Manalo MN, De Dios AC, Cammi R. Solvent effects on15N NMR shielding of 1,2,4,5-tetrazine and isomeric tetrazoles: Continuous set gauge transformation calculation using the polarizable continuum model Journal of Physical Chemistry A. 104: 9600-9604.  0.764
2000 Rich JE, Manalo MN, De Dios AC. 13C chemical shielding tensors in ampicillin and penicillin-V: A theoretical study Journal of Physical Chemistry A. 104: 5837-5842.  0.776
1999 De Dios AC, Roach JL, Walling AE. The NMR chemical shift: Local geometry effects Acs Symposium Series. 732: 220-239.  0.332
1999 Jameson CJ, Jameson AK, De Dios AC, Gerald RE, Lim HM, Kostikin P. Application of nuclear shielding surfaces to the fundamental understanding of adsorption and diffusion in microporous solids Acs Symposium Series. 732: 335-348.  0.465
1997 De Dios AC, Jameson CJ. The 129Xe nuclear shielding surfaces for Xe interacting with linear molecules CO2, N2, and CO Journal of Chemical Physics. 107: 4253-4270. DOI: 10.1063/1.474800  0.558
1996 de Dios AC, Oldfield E. Recent progress in understanding chemical shifts. Solid State Nuclear Magnetic Resonance. 6: 101-25. PMID 8784950 DOI: 10.1016/0926-2040(95)01207-9  0.48
1996 De Dios AC. Ab initio calculations of the NMR chemical shift Progress in Nuclear Magnetic Resonance Spectroscopy. 29: 229-278. DOI: 10.1016/S0079-6565(96)01029-1  0.328
1995 Jameson AK, Jameson CJ, de Dios AC, Oldfield E, Gerald RE, Turner GL. 129Xe Magic-angle spinning spectra of xenon in zeolite NaA direct observation of mixed clusters of co-adsorbed species Solid State Nuclear Magnetic Resonance. 4: 1-12. PMID 7894978 DOI: 10.1016/0926-2040(94)00028-B  0.595
1995 Laws DD, Le H, de Dios AC, Havlin RH, Oldfield E. A Basis Size Dependence Study of Carbon-13 Nuclear Magnetic Resonance Spectroscopic Shielding in Alanyl and Valyl Fragments: Toward Protein Shielding Hypersurfaces Journal of the American Chemical Society. 117: 9542-9546. DOI: 10.1021/Ja00142A023  0.46
1995 Jameson AK, Jameson CJ, de Dios AC, Oldfield E, Gerald RE. Direct observation of distributions of mixed clusters of coadsorbed species in zeolite NaA Studies in Surface Science and Catalysis. 98: 85-86. DOI: 10.1016/S0167-2991(06)81098-0  0.586
1994 de Dios AC, Laws DD, Oldfield E. Predicting Carbon-13 Nuclear Magnetic Resonance Chemical Shielding Tensors in Zwitterionic L-Threonine and L-Tyrosine via Quantum Chemistry Journal of the American Chemical Society. 116: 7784-7786. DOI: 10.1021/Ja00096A039  0.388
1994 de Dios AC, Oldfield E. Evaluating 19F Chemical Shielding in Fluorobenzenes: Implications for Chemical Shifts in Proteins Journal of the American Chemical Society. 116: 7453-7454. DOI: 10.1021/Ja00095A077  0.382
1994 de Dios AC, Jameson CJ. The NMR Chemical Shift: Insight into Structure and Environment Annual Reports On Nmr Spectroscopy. 29: 1-69. DOI: 10.1016/S0066-4103(08)60130-1  0.562
1993 de Dios AC, Pearson JG, Oldfield E. Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach. Science (New York, N.Y.). 260: 1491-6. PMID 8502992 DOI: 10.1126/Science.8502992  0.48
1993 Laws DD, de Dios AC, Oldfield E. NMR chemical shifts and structure refinement in proteins. Journal of Biomolecular Nmr. 3: 607-12. PMID 8219743 DOI: 10.1007/Bf00174614  0.482
1993 Jameson CJ, De Dios AC. The nuclear magnetic shielding as a function of internuclear separation The Journal of Chemical Physics. 98: 2208-2217. DOI: 10.1063/1.464200  0.527
1993 de Dios AC, Oldfield E. Methods for computing nuclear magnetic resonance chemical shielding in large systems. Multiple cluster and charge field approaches Chemical Physics Letters. 205: 108-116. DOI: 10.1016/0009-2614(93)85175-N  0.462
1992 Jameson CJ, De Dios AC. Ab initio calculations of the intermolecular chemical shift in nuclear magnetic resonance in the gas phase and for adsorbed species The Journal of Chemical Physics. 97: 417-434. DOI: 10.1063/1.463586  0.592
1991 Jameson CJ, De Dios AC, Jameson AK. The 31P shielding in phosphine The Journal of Chemical Physics. 95: 9042-9053. DOI: 10.1063/1.461183  0.542
1991 Jameson CJ, De Dios AC, Jameson AK. Nuclear magnetic shielding of nitrogen in ammonia The Journal of Chemical Physics. 95: 1069-1079. DOI: 10.1063/1.461135  0.58
1990 Jameson CJ, De Dios A, Keith Jameson A. Absolute shielding scale for 31P from gas-phase NMR studies Chemical Physics Letters. 167: 575-582. DOI: 10.1016/0009-2614(90)85472-O  0.532
Low-probability matches (unlikely to be authored by this person)
1993 De Dios AC, Pearson JG, Oldfield E. Chemical shifts in proteins: An ab initio study of carbon-13 nuclear magnetic resonance chemical shielding in glycine, alanine, and valine residues Journal of the American Chemical Society. 115: 9768-9773.  0.3
1994 De Dios AC, Oldfield E. 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 simple model compounds: Applications to protein NMR spectroscopy Journal of the American Chemical Society. 116: 5307-5314.  0.293
1994 De Dios AC, Oldfield E. Chemical shifts of carbonyl carbons in peptides and proteins Journal of the American Chemical Society. 116: 11485-11488.  0.268
2002 De Dios AC, Abraham AE. 13C chemical shifts in octanethiols adsorbed on gold: A theoretical study Journal of Molecular Structure. 602: 209-214. DOI: 10.1016/S0022-2860(01)00735-9  0.257
1999 De Dios AC, Roach JL. 15N shielding of the nitrosyl ligand in Co(NO)(TPP) Journal of Physical Chemistry A. 103: 3062-3065.  0.255
1994 De Dios AC, Laws DD, Oldfield E. Predicting carbon-13 nuclear magnetic resonance chemical shielding tensors in zwitterionic L-threonine and L-tyrosine via quantum chemistry Journal of the American Chemical Society. 116: 7784-7786.  0.253
1996 De Dios AC. Ab initio calculations of 119Sn magnetic shielding Magnetic Resonance in Chemistry. 34: 773-776. DOI: 10.1002/(SICI)1097-458X(199610)34:10<773::AID-OMR963>3.0.CO;2-O  0.251
1999 Wei Y, De Dios AC, McDermott AE. Solid-state 15N NMR chemical shift anisotropy of histidines: Experimental and theoretical studies of hydrogen bonding Journal of the American Chemical Society. 121: 10389-10394. DOI: 10.1021/Ja9919074  0.25
2005 Larsson AC, Ivanov AV, Forsling W, Antzutkin ON, Abraham AE, de Dios AC. 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. Journal of the American Chemical Society. 127: 2218-30. PMID 15713100 DOI: 10.1021/ja0306112  0.23
1995 Le HB, Pearson JG, De Dios AC, Oldfield E. Protein structure refinement and prediction via NMR chemical shifts and quantum chemistry Journal of the American Chemical Society. 117: 3800-3807.  0.216
2011 Zapata A, McLean DP, Delao Hernández JH, De Dios AC, Song X, Eng G. Synthesis, structural and larvicidal studies of a series of triorganotin chrysanthemumates Applied Organometallic Chemistry. 25: 777-782. DOI: 10.1002/aoc.1837  0.211
2019 Heller L, Roepe PD, de Dios AC. Artesunate Activation by Heme in an Aqueous Medium. Inorganica Chimica Acta. 496. PMID 32831389 DOI: 10.1016/J.Ica.2019.119029  0.208
2013 Gorka AP, Sherlach KS, de Dios AC, Roepe PD. Relative to quinine and quinidine, their 9-epimers exhibit decreased cytostatic activity and altered heme binding but similar cytocidal activity versus Plasmodium falciparum. Antimicrobial Agents and Chemotherapy. 57: 365-74. PMID 23114754 DOI: 10.1128/Aac.01234-12  0.203
1997 Walling AE, Pargas RE, De Dios AC. Chemical shift tensors in pep tides: A quantum mechanical study Journal of Physical Chemistry A. 101: 7299-7303.  0.195
1995 Laws DD, Le H, De Dios AC, Havlin RH, Oldfield E. A basis size dependence study of carbon-13 nuclear magnetic resonance spectroscopic shielding in alanyl and valyl fragments: Toward protein shielding hypersurfaces Journal of the American Chemical Society. 117: 9542-9546.  0.194
2003 Zelakiewicz BS, de Dios AC, Tong Y. 13C NMR spectroscopy of 13C1-labeled octanethiol-protected Au nanoparticles: shifts, relaxations, and particle-size effect. Journal of the American Chemical Society. 125: 18-9. PMID 12515490 DOI: 10.1021/Ja028302J  0.193
2013 Gorka AP, de Dios A, Roepe PD. Quinoline drug-heme interactions and implications for antimalarial cytostatic versus cytocidal activities. Journal of Medicinal Chemistry. 56: 5231-46. PMID 23586757 DOI: 10.1021/Jm400282D  0.151
1997 De Dios AC, Earle EM. Electric field effects on 13C and 17O chemical shifts and CO stretching frequency of carbon monoxide bound to Fe2+ Journal of Physical Chemistry A. 101: 8132-8134.  0.148
1998 Geiger FM, Hicks JM, De Dios AC. Ab initio study of HOCl, HCl, H2O, and Cl2 interacting with four water molecules Journal of Physical Chemistry A. 102: 1514-1522. DOI: 10.1021/Jp972515R  0.146
1994 De Dios AC, Oldfield E. Evaluating 19F chemical shielding in fluorobenzenes: Implications for chemical shifts in proteins Journal of the American Chemical Society. 116: 7453-7454.  0.137
2013 Gorka AP, Alumasa JN, Sherlach KS, Jacobs LM, Nickley KB, Brower JP, de Dios AC, Roepe PD. Cytostatic versus cytocidal activities of chloroquine analogues and inhibition of hemozoin crystal growth. Antimicrobial Agents and Chemotherapy. 57: 356-64. PMID 23114783 DOI: 10.1128/Aac.01709-12  0.126
1997 de Dios AC, Earle EM. Electric Field Effects on13C and17O Chemical Shifts and CO Stretching Frequency of Carbon Monoxide Bound to Fe2+ The Journal of Physical Chemistry A. 101: 8132-8134. DOI: 10.1021/jp972153n  0.117
2009 Ekoue-Kovi K, Yearick K, Iwaniuk DP, Natarajan JK, Alumasa J, de Dios AC, Roepe PD, Wolf C. Synthesis and antimalarial activity of new 4-amino-7-chloroquinolyl amides, sulfonamides, ureas and thioureas. Bioorganic & Medicinal Chemistry. 17: 270-83. PMID 19041248 DOI: 10.1016/J.Bmc.2008.11.009  0.112
2009 Iwaniuk DP, Whetmore ED, Rosa N, Ekoue-Kovi K, Alumasa J, de Dios AC, Roepe PD, Wolf C. Synthesis and antimalarial activity of new chloroquine analogues carrying a multifunctional linear side chain. Bioorganic & Medicinal Chemistry. 17: 6560-6. PMID 19703776 DOI: 10.1016/J.Bmc.2009.08.003  0.104
1999 Baumeister B, De Dios AC, Matile S. Tetrameric octi(p-phenylene) self-assemblies in aqueous solution: Proof of principle of a novel suprastructural motif Tetrahedron Letters. 40: 4623-4625. DOI: 10.1016/S0040-4039(99)00779-0  0.099
2008 Yearick K, Ekoue-Kovi K, Iwaniuk DP, Natarajan JK, Alumasa J, de Dios AC, Roepe PD, Wolf C. Overcoming drug resistance to heme-targeted antimalarials by systematic side chain variation of 7-chloro-4-aminoquinolines. Journal of Medicinal Chemistry. 51: 1995-8. PMID 18345611 DOI: 10.1021/Jm800106U  0.097
2019 Heller L, Roepe PD, de Dios AC. Artesunate activation by heme in an aqueous medium Inorganica Chimica Acta. 496: 119029. DOI: 10.1016/J.ICA.2019.119029  0.068
2015 de Dios A, Jacob S, Tayal A, Fisher MA, Dingle TC, Hamula CL. First report of Wohlfahrtiimonas chitiniclastica isolation from a patient with cellulitis in the United States. Journal of Clinical Microbiology. PMID 26378273 DOI: 10.1128/JCM.01534-15  0.044
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