Publications | 2005 - 2002
36. RAMALHO, T. C. ; M BUHL . PROBING NMR PARAMETERS, STRUCTURE AND DYNAMICS OF 5-NITROIMIDAZOLE DERIVATIVES. DENSITY FUNCTIONAL STUDY OF PROTOTYPICAL RADIOSENSITIZERS. MAGNETIC RESONANCE IN CHEMISTRY, V. 43, P. 139-146, 2005. [CrossRef]
35. FRANÇA TCC ; PASCUTTI P ; RAMALHO, T. C. ; FIGUEROA-VILLAR, J. D. . A THREE DIMENSIONAL STRUCTURE OF PLASMODIUM FALCIPARUM SERINE HYDROXYMETHYLTRANSFERASE IN COMPLE WITH GLYCINE AND 5-FORMYL- TETRAHYDROFOLATE. HOMOLOGY MODELING AND MOLECULAR DYNAMICS. BIOPHYSICAL CHEMISTRY, V. 115, P. 1-10, 2005. [CrossRef]
34. RAMALHO, T. C. ; M BUHL ; DE ALENCASTRO, RB ; FIGUEROA-VILLAR, J. D. . COMPUTATIONAL NMR SPECTROSCOPY OF TRANSITION-METAL/NITROIMIDAZOL COMPLEXES: THEORETICAL INVESTIGATION OF POTENTIAL RADIOSENSITIZERS. HELVETICA CHIMICA ACTA, V. 88, P. 2705-2721, 2005. [CrossRef]
33.RAMALHO, T. C. ; CUNHA, EFF ; DE ALENCASTRO, RB . COMMENTS ON "SOLVENT EFFECTS ON 13C AND 15N SHIELDING TENSORS OF NITROIMIDAZOLES IN THE CONDENSED MATTER". JOURNAL OF PHYSICS. CONDENSED MATTER, V. 17, N. 32, P. 4951-4952, 2005. [CrossRef]
32. RAMALHO, T. C. ; TAFT, C. . THERMAL AND SOLVENT EFFECTS ON THE NMR AND UV PARAMETERS OF SOME BIOREDUCTIVE DRUGS. JOURNAL OF CHEMICAL PHYSICS, V. 123, P. 54319, 2005. [CrossRef]
31. RAMALHO, T. C. ; CUNHA, EFF ; MAIA, ER ; DE ALENCASTRO, RB . THE SEARCH FOR NEW DHFR INHIBITORS: A REVIEW OF PATENTS JANUARY 2001-FEBRUARY 2005. EXPERT OPINION ON THERAPEUTIC PATENTS, V. 15, P. 967-986, 2005. [CrossRef]
30. DA CUNHA, E. F. F. ; ALBUQUERQUE MG ; ANTUNES OAC ; DE ALENCASTRO, RB . 4D-QSAR MODELS OF HOE/BAY-793 ANALOGUES AS HIV-1 PROTEASE INHIHITORS. QSAR & COMBINATORIAL SCIENCE, V. 24, P. 240-253, 2005. [CrossRef]
29. DA CUNHA, E. F. F. ; ALBUQUERQUE MG ; ANTUNES OAC ; DE ALENCASTRO, RB . PSEUDO-PEPTIDES DERIVED FROM ISOMANNIDE AS POTENTIAL INHIBITORS OF SERINE PROTEASES.AMINO ACIDS (WIEN), V. 28, P. 413-419, 2005. [CrossRef]
28. RAMALHO, T. C. ; TAFT, C. . INVITED COMMENT ON "THERMAL AND SOLVENT EFFECTS ON THE NMR AND UV PARAMETERS OF SOME BIOREDUCTIVE DRUGS". VIRTUAL JOURNAL OF BIOLOGICAL PHYSICS RESEARCH, V. 10, P. 12305-12308, 2005. [CrossRef]
27. FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. ; ABRAHAM, R. J. . CONFORMATIONAL ANALYSIS AND STEREOELECTRONIC EFFECTS IN TRANS-1,2-DIHALOCYCLOHEXANES: 1H NMR AND THEORETICAL INVESTIGATION. SPECTROCHIMICA ACTA. PART A, MOLECULAR SPECTROSCOPY, INGLATERRA, V. 61, P. 1771-1776, 2005. [CrossRef]
26. FREITAS, M. P. ; BROWN, S. D. ; MARTINS, J. A. . MIA-QSAR: A SIMPLE 2D IMAGE-BASED APPROACH FOR QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS. JOURNAL OF MOLECULAR STRUCTURE , V. 738, P. 149-154, 2005. [CrossRef]
25. FREITAS, M. P. ; MARTINS, J. A. . SIMPLE AND HIGHLY PREDICTIVE QSAR METHOD: APPLICATION TO A SERIES OF (S)-N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-6-METHOXYBENZAMIDES. TALANTA (OXFORD) , EUA, V. 67, P. 182-186, 2005. [CrossRef]
24. FREITAS, M. P. ; SABADIN, A. ; SILVA, L. M. ; GIANNOTTI, F. M. ; COUTO, D. A. ; TONHI, E. ; MEDEIROS, R. S. ; COCO, G. L. ; RUSSO, V. F. T. ; MARTINS, J. A. . PREDICTION OF DRUG DISSOLUTION PROFILES FROM TABLETS USING NIR DIFFUSE REFLECTANCE SPECTROSCOPY: A RAPID AND NONDESTRUCTIVE METHOD. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS , GRÃ-BRETANHA, V. 39, P. 17-21, 2005. [CrossRef]
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23. DA CUNHA, E. F. F. ; ANTUNES OAC ; ALBUQUERQUE MG ; DE ALENCASTRO, RB . N-T-BOC-AMINO ACID ESTERS OF ISOMANNIDE - POTENTIAL INHIBITORS OF SERINE PROTEASES.AMINO ACIDS (WIEN), V. 27, P. 153-159, 2004. [CrossRef]
22. RAMALHO, T. C. ; CUNHA, EFF ; DE ALENCASTRO, RB . THEORETICAL STUDY OF ADIABATIC AND VERTICAL ELECTRON AFFINITY OF RADIOSENSITIZERS IN SOLUTION. PART 2: ANLOGUES OF TIRAPAZAMINE. JOURNAL OF THEORETICAL AND COMPUTATIONAL CHEMISTRY, USA, V. 3, N. 3, P. 01-13, 2004. [CrossRef]
21. RAMALHO, T. C. ; DE ALENCASTRO, RB ; FIGUEROA-VILLAR, J. D. . THEORETICAL EVALUATION OF ADIABATIC AND VERTICAL ELECTRON AFFINITY OF SOME RADIOSENSITIZERS IN SOLUTION USING FEP, AB INTIO AND DFT METHODS. BIOPHYSICAL CHEMISTRY, V. 110, P. 267-291, 2004. [CrossRef]
20. CUNHA, EFF ; RAMALHO, T. C. ; MAIA, ER ; DE ALENCASTRO, RB . INTERACTIONS OF 5-DEAZAPTERIDINE DERIVATIVES WITH MYCOBACTERIUM TUBERCULOSIS AND WITH HUMAN DIHYDROFOLATE REDUCTASES. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS, NEW YORK, V. 22, P. 119-130, 2004. [CrossRef]
19. MARTINS, TLC ; RAMALHO, T. C. ; FIGUEROA-VILLAR, J. D. ; FRANÇA TCC . SYNTHESIS OF GUANYLHYDRAZONES UNDER MICROWAVE IRRADIATION. SYNTHETIC COMMUNICATIONS, V. 34, N. 21, P. 3891-3899, 2004. [CrossRef]
18. RAMALHO, T. C. ; CUNHA, EFF ; DE ALENCASTRO, RB . SOLVENT EFFECTS ON 13C AND 15N SHIELDING TENSORS OF NITROIMIDAZOLES IN THE CONDENSED PHASE: A SEQUENTIAL MOLECULAR DYNAMICS/QUANTUM MECHANICS STUDY. JOURNAL OF PHYSICS. CONDENSED MATTER, LONDON, V. 16, P. 6159-6170, 2004. [CrossRef]
17. RAMALHO, T. C. ; CUNHA, EFF ; DE ALENCASTRO, RB . A DENSITY FUNCTIONAL STUDY ON THE COMPLEXATION OF ETHAMBUTOL WITH DIVALENT CATIONS. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, V. 676, P. 149-153, 2004. [CrossRef]
16. TORMENA, C. F. ; FREITAS, M. P. ; RITTNER, R. ; ABRAHAM, R. J. . CONFORMATIONAL BEHAVIOUR OF METHYL 2-FLUOROESTERS THROUGH THEORETICAL CALCULATIONS, NMR AND IR SPECTROSCOPY. PCCP. PHYSICAL CHEMISTRY CHEMICAL PHYSICS , INGLATERRA, V. 6, P. 1152-1156, 2004. [CrossRef]
15. TORMENA, C. F. ; FREITAS, M. P. ; RITTNER, R. ; ABRAHAM, R. J. . A THEORETICAL AND INFRARED INVESTIGATION OF THE CONFORMATIONS OF 1,3-DIHALOACETONES. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY , ESTADOS UNIDOS, V. 108, P. 5161-5168, 2004. [CrossRef]
14. FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. ; ABRAHAM, R. J. . CONFORMATIONAL PROPERTIES OF TRANS-2-HALO-ACETOXYCYCLOHEXANES: 1H NMR, SOLVATION AND THEORETICAL INVESTIGATIONS. JOURNAL OF MOLECULAR STRUCTURE , IRLANDA, V. 734, P. 211-217, 2004.
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13. RAMALHO, T. C. ; MARTINS, TLC ; BORGES, LEP ; FIGUEROA-VILLAR, J. D. . INFLUENCE OF NON-BONDED INTERACTIONS IN THE KINETICS OF FORMATION OF CHALCOGENOL ESTERS FROM CHALCOGENOACETYLENES. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, USA, V. 95, N. 3, P. 267-273, 2003. [CrossRef]
12. RAMALHO, T. C. ; MARTINS, TLC ; FIGUEROA-VILLAR, J. D. . A THEORETICAL AND EXPERIMENTAL 13C AND 15N NMR INVESTIGATION OF GUANYLHYDRAZONES IN SOLUTION. MAGNETIC RESONANCE IN CHEMISTRY, V. 41, N. 12, P. 983-988, 2003. [CrossRef]
11. FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. ; ABRAHAM, R. J. . CONFORMATIONAL ANALYSIS OF TRANS-2-HALOCYCLOHEXANOLS AND THEIR METHYL ETHERS: A 1H NMR, THEORETICAL AND SOLVATION APPROACH. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , USA, V. 16, P. 27-33, 2003. [CrossRef]
10. FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. . INFRARED SPECTROSCOPY AND THEORETICAL CALCULATIONS AS TOOLS FOR THE CONFORMATIONAL ANALYSIS OF 2-METHOXYCYCLOHEXANONE. SPECTROCHIMICA ACTA. PART A, MOLECULAR SPECTROSCOPY, USA, V. 59, P. 1177-1182, 2003. [CrossRef]
9. FREITAS, M. P. ; TORMENA, C. F. ; RITTNER, R. ; ABRAHAM, R. J. . THE UTILITY OF INFRARED SPECTROSCOPY FOR QUANTITATIVE CONFORMATIONAL ANALYSIS AT A SINGLE TEMPERATURE. SPECTROCHIMICA ACTA. PART A, MOLECULAR SPECTROSCOPY, USA, V. 59, P. 1783-1789, 2003. [CrossRef]
8. SUWINSKI, J. ; SZCZEPANKIEWICZ, W. ; BASSO, E. A. ; TORMENA, C. F. ; FREITAS, M. P. ; RITTNER, R. . MULTINUCLEAR MAGNETIC RESONANCE AND THEORETICAL CALCULATIONS IN THE STUDY OF STRUCTURE AND TAUTOMERISM OF SOME 2-AMINO-N´-(ARYL)-BENZAMIDINES. SPECTROCHIMICA ACTA. PART A, MOLECULAR SPECTROSCOPY, INGLATERRA, V. 59, P. 3139-3145, 2003. [CrossRef]
7.FREITAS, M. P. ; TORMENA, C. F. ; GARCIA, J. C. ; RITTNER, R. ; ABRAHAM, R. J. ; BASSO, E. A. ; SANTOS, F. P. ; CEDRAN, J. C. . NMR, SOLVATION AND THEORETICAL INVESTIGATION OF CONFORMATIONAL ISOMERISM IN 2-X-CYCLOHEXANONES (X=NME2, OME, SME AND SEME). JOURNAL OF PHYSICAL ORGANIC CHEMISTRY , USA, V. 16, P. 833-838, 2003. [CrossRef]
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6. RAMALHO, T. C. ; FIGUEROA-VILLAR, J. D. . THERMODYNAMIC EVALUATION OF COMPLEXES OF ZINC AND CADMIUM THAT MIMETIZA METALLIC CENTERS IN TRANSCRIPTION FACTORS. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, USA, V. 580, P. 217-223, 2002. [CrossRef]
5. RAMALHO, T. C. ; FIGUEROA-VILLAR, J. D. ; BORGES, LEP . A THEORETICAL STUDY OF INFLUENCE OF ZN SUBSTITUITION BY CD ON THE 13C CHEMICAL SHIFT IN COMPLEXES THAT MIMETIZE THE ZN COORDENATIONA ENVIRONMENT IN ZINC FINGERS. ANNALS OF MAGNETIC RESONANCE, V. 1, P. 22-29, 2002. [CrossRef]
4. TORMENA, C. F. ; RITTNER, R. ; ABRAHAM, R. J. . AN 1H NMR AND MOLECULAR MODELLING INVESTIGATION OF DIASTEREOTOPIC METHYLENE HYDROGEN ATOMS. MAGNETIC RESONANCE IN CHEMISTRY , V. 40, P. 279-283, 2002. [CrossRef]
3. FREITAS, M. P. ; TORMENA, C. F. ; OLIVEIRA, P. R. ; RITTNER, R. . HALOGENATED SIX-MEMBERED RINGS: A THEORETICAL APPROACH FOR SUBSTITUENT EFFECTS IN CONFORMATIONAL ANALYSIS. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM , INGLATERRA, V. 589590, P. 147-151, 2002. [CrossRef]
2. YOSHINAGA, F. ; TORMENA, C. F. ; FREITAS, M. P. ; RITTNER, R. ; ABRAHAM, R. J. . CONFORMATIONAL ANALYSIS OF 2-HALOCYCLOHEXANONES: A 1H NMR, THEORETICAL AND SOLVATION STUDY. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, INGLATERRA, P. 1494-1498, 2002. [CrossRef]
1. FREITAS, M. P. ; TORMENA, C. F. ; LUÍZAR, C. ; FERREIRA, M. M. C. ; RITTNER, R. . SUBSTITUENT INTERACTIONS IN TRANS-2-SUBSTITUTED METHOXYCYCLOHEXANES: AN EXPLANATION TO THE CONFORMATIONAL BEHAVIOUR IN A CHEMOMETRIC AND THEORETICAL VIEW. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM , INGLATERRA, V. 618, P. 219-224, 2002. [CrossRef]
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