LQTA Laboratório de Quimiometria Teórica e Aplicada
Instituto de química - Universidade Estadual de Campinas
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Publicados


161. Costa, M. C. A., Morgano, M. A., Ferreira, M. M. C., Milani, R. F. Analysis of bee pollen constituents from different Brazilian regions: Quantification by NIR spectroscopy and PLS regression . LWT - Food Sci. Technol., 80, 76-83 (2017).

160. De Melo, E. B.; Martins, J. P. A.; Miranda, E. H.;Ferreira, M. M. C.; A best- comprehension about the toxicity of phenylsulfonyl carboxylates in Vibrio fischeri using quantitative structure activity/property relationship methods. J. Hazard. Mat. (Print), 304, 233-241 (2016).

159. Costa, M. C. A., Matallo, M. B., Ferreira, M. M. C., Queiroz, S. C. N., Almeida, S. B. D., Franco, D. A. S. Brachiaria plantaginea as a potential (new) source of Shikimic acid. Quantification by NIR and PLS regression. Planta Med. Lett., 3, 4, e81-e86 (2016). Supplementary Material.

158. Lopes,T.I.B.; Geloneze, B.; Pareja, J. C.; Calixto, A. R.; Ferreira, M. M.C.; Marsaioli, A. J. -Omics- Prospective Monitoring of Bariatric Surgery: Roux-En-Y Gastric Bypass Outcomes Using Mixed-Meal Tolerance Test and Time-Resolved 1 H NMR-Based Metabolomics ”. OMICS: Journal of Integrative Biology, 20, 415-423 (2016).

157. Lopes,T.I.B.; Geloneze, B.; Pareja, J. C.; Calixto, A. R.; Ferreira, M. M.C.; Marsaioli, A. J.  Blood Metabolome Changes Before and After Bariatric Surgery: A 1 H NMR-Based Clinical Investigation.. OMICS: Journal of Integrative Biology, 19, 150414133239000-327 (2015).

156. Rambo, M. K. D.; Alves, A. R.; Garcia, W. T.; Ferreira, M. M. C. Multivariate analysis of coconut residues By Near infrared spectroscopy”. Talanta (Oxford), 138, 263-272 (2015).

155. Rambo, M. K. D.; Ferreira, M. M. C. Determination of Cellulose Crystallinity of Banana Residues Using Near Infrared Spectroscopy and Multivariate Analysis”. J. Braz. Chem. Soc., 26, 1491-1499 (2015).

154. Rambo, M. K. D.; Schmidt, F. L.; Ferreira, M. M. C. Analysis of the lignocellulosic components of biomass residues for biorefinery opportunities. Talanta (Oxford), 144, 696-703 (2015).

153. Rambo, M. K. D.; Ferreira, M. M. C.; Amorim, E.P. Multi-product calibration models using NIR spectroscopy . Chemometrics and Intelligent Laboratory Systems (Print), 151, 108-114 (2015). 

152. Martins, J. A. M., Ferreira, M. M. C. QSAR modeling: um novo pacote computacional open source para gerar e validar modelos QSAR. Quím. Nova, 36, 4, 554-560 (2013).

151. Sousa, S. A. A., Magalhães, A., Ferreira, M. M. C. Optimized bucketing for NMR spectra: three case studies”. Chemometr. Intell. Lab., 122, 93-102 (2013). Optimized Bucketing Algorithm in matlab code (opt_bucket.m).

150
. Muniz Filho, R. C. D., Tauler, R., Ferreira, M. M. C. Exploring in vivo violacein biosynthesis by application of multivariate curve resolution on fused uv vis absorption, fluorescence, and liquid chromatography mass spectrometry data. Anal. Bioanal. Chem., 405, 1293-1302 (2013).

149. Fresqui, M. A. C., Ferreira, M. M. C., Trsic, M. “The influence of R and S configurations of a series of amphetamine derivatives on quantitative structure activity relationship models”. Anal. Chim. Acta, 759, 43-52 (2013).

148. Cruz, A. G., Cadena, R. S., Alvaro, M. B. V. B., Sant'ana, A. S., Oliveira, C. A. F., Faria, J. A. F., Bolini, H. M. A., Ferreira, M. M. C., Assessing the use of different chemometric techniques to discriminate low-fat and full-fat yogurts. LWT - Food Sci. Technol., 50, 210-214 (2013).

147. Cruz, A. G., Cadena, R. S., Faria, J. A., Bolini, H. M. A., Muniz Filho, R. C. D., Ferreira, M. M. C., Deliza, R. Parafac: adjustment for modeling consumer study covering probiotic and conventional yogurt. Food Res. Int., 45, 211-215 (2012).


146. Barbosa, E. G., Ferreira, M. M. C. Digital filters for molecular interaction field descriptors. Mol. Inform., 31, 75-84 (2012). Supplementary Material.

145. Ribeiro, J. S., Augusto, F., Salva, T. J. G., Ferreira, M. M. C. Prediction models for arabica coffee beverage quality based on aroma analyses and chemometrics. Talanta, 101, 253-260 (2012).

144. Muniz Filho, R. C. D., Volpe, P. L. O., Durán, N., Ferreira, M. M. C. The violacein biosynthesis monitored by multi-wavelength fluorescence spectroscopy and by the parafac method. J. Braz. Chem. Soc., 23, 2054-2064 (2012).

143. Barbosa E. G., Pasqualoto K. F. M., Ferreira M. M C., Ferreira A. G., "The receptor-dependent LQTA-QSAR: application to a set of trypanothione reductase inhibitors". J. Comput. Aided Mol. Des., 26, 1055-1065 (2012).

142.
Boffo E. F., Tavares L. A., Tobias A. C. T., Ferreira M. M C., Ferreira A. G., "Indentification of components of Brazilian honey by 1H NMR and classification of its botanical origin by chemometric methods". LWT - Food Sci. Technol., 49, 55-63 (2012).

141. 
de Melo E.B., Ferreira M. M. C., "Four-dimensional structure activity relationship model to predict HIV-1 integrase strand transfer using LQTA-QSAR methodology". J. Chem. Inf. Model., 52, 1722-1732 (2012). Supplementary Material.

140. Faria A. V., Macedo F. C. Jr., Marsaioli A. J., Ferreira M. M. C., Fendes F., "Classification of brain tumor extracts by high resolution 1H MRS using partial least squares discriminant analysis", Braz. J. Med. Biol. Res., 44, 149-164 (2011).

139. Souza S. S., Cruz A. G., Walter E. H. M., Faria J. A. F., Celeghini R. M. S., Ferreira M. M. C., Granato D., Sant'Ana A. S., "Monitoring the authenticity of Brazilian UHT milk: A chemometric approach". Food Chem., 124, 692-695 (2011).

138. Ribeiro J. S., Augusto F., Ferreira M. M. C., Salva T. J. G., "Uso de perfis cromatográficos de voláteis de cafés arábicas torrados para a diferenciação das amostras segundo o sabor, o aromat e a qualidade global da bebida" ["The use of chromatographic profiles from roasted arabica coffees to differentiate saples according to cleanliness, flavour and overall quality of the beverage"], Quim. Nova, 33, 1897-1904 (2010).

137. de Melo E. B., Martins J. P. A., Jorge T. C. M., Friozi M. C., Ferreira M. M. C., "Mutivariate QSAR study on the antimutagenic activity of flavonoids against 3-NFA on Salmonella typhimurium TA98", Eur. J. Med. Chem., 45, 4562-4569 (2010).

136. Ribeiro J. S., Salva T. J., Ferreira M. M. C., "CHEMOMETRIC STUDIES FOR QUALITY CONTROL OF PROCESSED BRAZILIAN COFFEES USING DRIFTS", J. Food Qual., 33, 212-227 (2010).

135. Kiralj R, Ferreira M. M. C., "Is your QSAR/QSPR descriptor real or trash?", J. Chemometr., 24, 681-693 (2010).

134. Martins J. P. A., Teófilo R. F., Ferreira M. M. C., "Computational performance and cross-validation error precision of five PLS algorithms using designed and real data set", J. Chemometr., 24, 320-332 (2010).

133. Ribeiro J. S., Teófilo R. F., Augusto F., Ferreira M. M. C., "Simultaneous optimization of the microextraction of coffee volatiles using response surface methodology and principal component analysis", Chemom. Intell. Lab. Syst., 102, 45-52 (2010).

132. Muniz Filho R. C. D., de Souza S. A. A., Pereira F. S., Ferreira M. M. C., "Theoretical Study of Acid-Catalyzed Hydrolysis of Epoxides", J. Phys. Chem. A, 114, 5187-5194 (2010).

131. Pasqualoto K. F. M., Ferreira M. M. C., "Molecular Modeling and Receptor-Dependent (RD) 3D-QSAR Approach to a Set of Antituberculosis Derivatives", QSAR Comb. Sci., 28, 1455-1464 (2009).

130. Pedro A. M. K., Ferreira M. M. C., "The Use of Near-Infrared Spectroscopy and Chemometrics for Determining the Shelf-Life of Products", Appl. Spectrosc., 63, 1308-1314 (2009).


129. de Melo E. B., Ferreira M. M. C., "Nonequivalent Effects of Diverse LogP Algorithms in Three QSAR Studies", QSAR Comb. Sci., 28, 1156-1165 (2009).

128. E. Boffo, L. A. Tavares, M. M. C. Ferreira,  A. G. Ferreira, "Classification of Brazilian vinegars according to their 1H NMR spectra by pattern recognition analysis", LWT-Food Sci. Technol., 42, 1455-1460 (2009).

127. Martins J. P., Barbosa E. G., Pasqualoto K. F. M., Ferreira M. M. C., "LQTA-QSAR: A New 4D-QSAR Methodology", J. Chem. Inf. Mod., 49, 1428-1436 (2009).

126. de Melo E. B., Ferreira M. M. C., "Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors", Eur. J. Med. Chem., 44, 3577-3583 (2009).

125. Kiralj R., Ferreira M. M. C., "Basic Validation Procedures for Regression Models in QSAR and QSPR Studies: Theory and Applications", J. Braz. Chem. Soc., 20, 770-787 (2009).

124. Hernández N., Kiralj R., Ferreira M. M. C., Talavera I., "Critical comparative analysis, validation and interpretation of SVM and PLS regression models in a QSAR study of HIV-1 protease inhibitors", Chemometr. Intell. Lab. Syst., 98, 65-77 (2009).

123. Monteiro M. R., Ambrozin A. R. P., Lio L. M., Boffo E. F., Tavares L. A., Ferreira M. M. C., Ferreira A. G., "Study of Brazilian Gasoline Quality Using Hydrogen Nuclear Magnetic Resonance (1H NMR) Spectroscopy and Chemometrics", Energ. Fuel., 23, 272–279 (2009).

122. de Castro F. P., Cunha T. M., Ogliari P. J., Teófilo R. F., Ferreira M. M. C., Prudêncio E. S., "Influence of different content of cheese whey and oligofructose on the properties of fermented lactic beverages: Study using response surface methodology",LWT-Food Sci. Technol., 42, 993-997 (2009).

121. Ribeiro J. S., Augusto, Salva T. J. G., Thomaziello R. A., Ferreira M. M. C., "Prediction of sensory properties of Brazilian Arabica roasted coffees by headspace solid phase microextraction-gas chromatography and partial least squares"Anal. Chim. Acta, 634, 172-179 (2009).

120. Kleimann E., de Simas K. N., Amante E. R., Prudêncio E. S., Teófilo R. F., Ferreira M. M. C., Amboni R. D. M. C., "Optimisation of pectin acid extraction from passion fruit peel (Passiflora edulis flavicarpa) using response surface methodology"Int. J. Food Sci. Tech., 44, 476-483 (2009).

119. Hernández N., Talavera I., Biscay R. I., Porro D., Ferreira M. M. C., "Support Vector Regression for Functional Data in Multivariate Calibration Problems", Anal. Chim. Acta, 642, 110-116 (2009).

118. Teófilo R. F., Martins J. P., Ferreira M. M. C., "Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression", J. Chemometr., 23, 32-48 (2009).

117. Hernández N., Talavera I., Dago A., Biscay R. J., Ferreira M. M. C., Porro D., "Relevance vector machines for multivariate calibration purposes", J. Chemometr., 22, 686-694 (2008).

116. Teófilo R. F., Kiralj R., Ceraglioli H. J., Peterlevitz A. C., Baranauskas V., Kubota L. T., Ferreira M. M. C., "QSPR study of passivation by phenolic compounds at platinum and boron-doped diamond electrodes", J. Electrochem. Soc., 155, D640-D650 (2008).

115. Daolio C., Beltrame F. L., Ferreira A. G., Cass. Q. B., Cortez D. A. G., Ferreira M. M. C., "Classificaiton of Commercial Catuaba Samples by NMR, HPLC and Chemometrics", Phytochem. Anal., 19, 218-228 (2008).

114. Pinheiro E. R., Silva I. M. D. A., Gonzaga L. V., Amante E. R., Teófilo R. F., Ferreira M. M. C., Amboni R. D. M. C., "Optimization of exctraction of high-ester pectin from passion fruit peel (Passiflora edulis flavicarpa) with citric acid by using response surface methodology", Bioresour. Technol., 99, 5561-5566 (2008).

113. Kiralj R., Ferreira M. M. C., "Simple Quantitative Structure-Property Relationship (QSPR) Modeling of 17O Carbonyl Chemical Shifts in Substituted Benzaldehydes Compared to DFT  and Empirical Approaches", J. Phys. Chem. A, 112, 6134-6149 (2008).

112. Kiralj R., Ferreira M. M. C., "A Priori Descriptors in QSAR: a Case of Gram-Negative Bacterial Multidru Resistance to b-Lactams", Croat. Chem. Acta, 81, 579-592 (2008).

111. Bruni A. T., Ferreira M. M. C., "Theoretical Study of Omeprazole Behavior: Racemization Barrier and Decomposition Reaction", Int. J. Quant. Chem., 108, 1097-1106 (2008).

110. Morgano M. A., Faria C. G., Ferrão M. F., Bragagnolo N., Ferreira M. M. C., "Determinação de umidade em café cru usando espectroscopia NIR e regressão multivariada" ["Determination of moisture in raw coffee by NIR spectroscopy and multivariate regression"]. Ciênc. Tecnol. Aliment., 28, 12-17 (2008).

109. Ribeiro F. L. A., Ferreira M. M. C., Morano S. C., Silva L. R., Schneider R. P., "Planilha de validação: uma nova ferramenta para estimar figuras de mérito na validação de métodos analíticos univariados" [
"Validation sreadsheet: a new tool for estimating the analytical figures of merit for the validation of univariate methods"], Quim. Nova, 31, 164-171 (2008).

108. Kiralj R., Ferreira M. M. C., "Chemometric analysis of the multidrug resistance in strains of Penicillium digitatum", SAR QSAR Environ. Res., 19, 55-70 (2008).

107. Pereira M. S. C., Kiralj R., Ferreira M. M. C., "Theoretical study of radical and neutral intermediates of artemisinin decomposition", J. Chem. Inf. Mod., 48, 85-98, (2008).

106. Kiralj R., Ferreira M. M. C., "Comparative chemometric and QSAR/SAR study of structurally unrelated substrates of a MATE efflux pump VmrA from V. parahaemolyticus: prediction of multidrug resistance", QSAR Comb. Sci., 27, 314-329 (2008).

105. Kiralj R., Ferreira M. M. C., "Extensive chemometric investigations of the multidrug resistance in strains of the phytopathogenic fungus Penicillium digitatum", QSAR Comb. Sci., 27, 289-301 (2008).

104. Henrique C. M., Teófilo R. F., Sabino L., Ferreira M. M. C., Cereda M. P., "Classification of Cassava Starch Films by Physicochemical Properties and Water Vapor Permeability Quantification by FTIR and PLS", J. Food Sci., 72, E184-E189 (2007).

103. Kiralj R., Ferreira M. M. C., Donate P. M., Silva R., Albuquerque S., "Conformational Study of (8a,8'b)-bis(Substituted Phenyl)-Lignano-9,9'-Lactones by Means of Combined Computational, Database Mining, NMR and Chemometric Approach", J. Phys. Chem. A, 111, 6316-6333 (2007).

102. Crispino C. C., Fernandes K. G., Kamogawa M. Y., Nóbrega J. A., Nogueira A. R. A., Ferreira M. M. C."Multivariate Classification of Cigarettes According to Their Elemental Content Determination by Inductively Coupled Plasma Optical Emission Spectroscopy", Anal. Sci., 23, 435-438 (2007).

101. Pasqualoto K. F. M., Teófilo R. F., Guterres M., Pereira F. S., Ferreira M. M. C., "A study of physicochemical and biopharmaceutical properties of Amoxicillin tablets using full factorial design and PCA biplot", Anal. Chim. Acta, 595, 216-220 (2007).

100. Buydens L., Ferreira M. M. C., Rutan S., "Editorial", Anal. Chim. Acta, 595, 1-2 (2007).

99. Pedro A. M. K., Ferreira M. M. C., "Simultaneously Calibrating Solids, Sugars and Acidity of Tomato Products Using PLS2 and NIR Spectroscopy",Anal. Chim. Acta, 595, 221-227 (2007).

98. Teófilo R. F., Ceragioli H. J., Peterlevit A. C., Da Silva L. M., Damos F. S., Ferreira M. M. C., Baranauskas V., Kubota L. R., "Improvement of the electrochemical properties of "as-grown" boron-doped polycrystalline diamond electrodes deposited on tungsten wires using ethanol", J. Solid State Electrochem., 11, 1449-1457 (2007).

97.
Bustamante I. T., Mata F. S., González N. H., Gazapo R. G., Palau J., Ferreira M. M. C., "Application of chemometric tools for automatic classification and profile extraction of DNA samples in forensic tasks", Anal. Chim. Acta, 595, 43-50 (2007).

96. Alcantara G. B., Honda N. K., Ferreira M. M. C., Ferreira A. G., "Chemometric analysis applied in 1H HR-MAS NMR and FT-IR data for chemotaxonomic distinction of intact lichen samples", Anal. Chim. Acta, 595, 3-8 (2007).

95. Morgano M. A., de Faria C. G., Ferrão M. F., Ferreira M. M. C., "Determinação de açúcar total em café cru por espectroscopia no infravermelhor próximo e regressão por mínimos quadrados parciais" ["Determination of total sugar in raw coffee using near infrared spectroscopy and PLS regression"], Quim. Nova, 30, 346-350 (2007).


94. Costa M. S., Kiralj R., Ferreira M. M. C., "Estudo Teórico da Interação Existente Entre a Artemisinina e Heme". ["Theoretical Study of Interactions Between Heme and Artemisinin"] Quim. Nova, 30, 25-31 (2007).

93. Correia P. R. M., Ferreira M. M. C., "Reconhecimento de padrões por métodos não supervisionados: Explorando procedimentos quimiométricos para o tratamento de dados analíticos" ["Non-supervised pattern recognition methods: Exploring chemometrical procedures for evaluating analytical data", Quim. Nova, 30, 481-487 (2007).


92. de Oliveira A. P., Gomes Neto J. A., Ferreira M. M. C., "Uso da análise exploratória de dados na avaliação de modificadores químicos para determinação direta e simultânea de metais em álcool combustível por GFAAS", Eclet. Quim., 31, 7-12 (2006).

91. Pedro A. M. K., Ferreira M. M. C., "Multivariate Accelerated Shelf-Life Testing: a Novel Approach for Determining the Shelf-Life of Foods", J. Chemometr., 20, 76-83 (2006).

90. Kiralj R, Ferreira M. M. C., "The Past, Present and Future of Chemometrics Worldwide: Some Etymological, Linguistic and Bibliometric Investigations", J. Chemometr., 20, 247-272 (2006).

89. Melo E. B., Bruni A. T., Ferreira M. M. C., "Inibidores da HIV-integrase: potencial abordagem farmacológica para o tratamento da AIDS". ["HIV-integrase inhibitors: pharmacological possibilities in treatment of AIDS"] Quim. Nova, 29, 555-562 (2006).

88. Pasqualoto K. F. M., Ferreira M. M. C., Santos-Filho O. A., Hopfinger A. J., "Molecular dynamics simulations of a set of isoniazid derivatives bound to InhA, the enoyl-acp reductase from M. tuberculosis". Int. J. Quant. Chem., 106, 2689-2699 (2006).

87. Pasqualoto K. F. M., Ferreira M. M. C., Santos-Filho O. A., Hopfinger A. J., "Application Of A Receptor Pruning Methodology To The Enoyl-ACR Reductase From Escherichia coli (FabI)". QSAR Comb. Sci., 25, 629-636 (2006).

86. Kiralj R., Ferreira M. M. C., "Molecular Graphics Approach to Bacterial AcrB Protein – b-Lactam Antibiotic Molecular Recognition in Drug Efflux Mechanism", J. Mol. Graph. Mod., 25, 126-145 (2006).

85. Teófilo R. F., Ferreira, M. M. C. "QUIMIOMETRIA II: PLANILHAS ELETRÔNICAS PARA CÁLCULOS DE PLANEJAMENTOS EXPERIMENTAIS, UM TUTORIAL" ["CHEMOMETRICS II: ELECTRONIC SPREADSHEETS FOR EXPERIMENTAL DESIGN CALCULATIONS, A TUTORIAL"]. Quim. Nova, 29, 338-350 (2006).

84. Fardim P., Ferreira M. M. C., Durán N., "Determination of Mechanical and Optical Properties of Eucalyptus Kraft Pulp by NIR Spectrometry and Multivariate Calibration", J. Wood Chem. Technol., 25, 267-279 (2005).

83. Contreras J. G., Ferreira M. M. C., Hurtado S. M., Gerli L., Castillo R., "THEORETICAL AND CHEMOMETRIC STUDY OF SUBSTITUTED OXAZINES", J. Chil. Chem. Soc., 50, 731-737 (2005).

82. Fernandes A. P., Santos M. C., Lemos S. G., Ferreira M. M. C., Nogueira A. R. A., Nóbrega J. A., "Pattern recognition applied to mineral characterization of Brazilian coffees and sugar-cane spirits", Spectrochim. Acta B, 60, 717-724 (2005).

81. Coltro W.  K. T, Ferreira M. M. C., Macedo F. A. F., Oliveira C. O., Visentainer J. V., Souza N. E., Matsushita M., "Correlation of animal diet and fatty acid content in young goat meat by gas chromatography and chemometrics", Meat Sci., 71, 358-363 (2005).

80. Kiralj R., Ferreira M. M. C., "Chemometric and Molecular Modeling Study of 1H-Indole-3-acetic Acid Derivatives with Auxin Activity", Croat. Chem. Acta, 78, 541-549 (2005).

79. Ribeiro F. A. L., Ferreira M. M. C., "ANÁLISE DE COMPONENTES PRINCIPAIS COMO FERRAMENTA PARA A INVESTIGAÇÃO DE CONTAMINAÇÃO AMBIENTAL: UM ESTUDO DE CASO" ["PRINCIPAL COMPONENT ANALYSIS AS A TOOL FOR INVESTIGATION OF ENVIRONMENTAL CONTAMINATION: A CASE STUDY"], Tecno-lóg., 9, 35-57 (2005).

78. Morgano M. A., de Faria C. G.,  Ferrão M. F., Bragagnolo N., Ferreira M. M. C., "DETERMINAÇÃO DE PROTEÍNA EM CAFÉ CRU POR ESPECTROSCOPIA NIR E REGRESSÃO PLS" ["DETERMINATION OF PROTEIN IN RAW COFFEE BY NIR SPECTROSCOPY AND REGRESSION PLS."], Ciênc. Tecnol. Aliment., 25, 25-31 (2005).

77. Moreira A. B., Dias I. L. T., Neto G. O., Zagatto E. A. G., Ferreira M. M. C., Kubota L. T., "Solid-phase spectrofluorimetric determination of acetylsalicylic acid and caffeine in pharmaceutical preparations using partial least-squares multivariate calibration", Talanta, 67, 65-69 (2005).

76. Pedro A. M. K., Ferreira M. M. C., "Non-Destructive Determination of Solids and Carotenoids in Tomato Products by Near Infrared Spectroscopy and Multivariate Calibration", Anal. Chem., 77, 2505-2511 (2005).

75. Ribeiro F. A. L., Ferreira M. M. C., "QSAR model of the phototoxicity of polycyclic aromatic hydrocarbons", J. Mol. Struct.-Theochem, 719, 191-200 (2005).

74. Coscione A. R., Moniz A. C., Pérez D. V., Ferreira M. M. C., Camargo O. A., “Chemical and electrochemical properties of an Oxisol–Ultisol transition in the state of São Paulo, Brazil”, Geoderma, 126, 375-388 (2005).

73. Ferreira M. M. C., "9th International conference on chemometrics in analytical chemistry (CAC-2004), Lisbon, Portugal, 20-23 September 2004", J. Chemometr., 18, 385-386 (2004).

72. Gurden S. P., Monteiro V. F., Longo E., Ferreira, M. M. C., “Quantitative analysis and classification of AFM images of human hair”, J. Microsc., 215, 13-23 (2004)

71. Ferreira M. M. C., Kiralj R., “QSAR study of b-lactam antibiotic efflux by the bacterial multidrug resistance pump AcrB”, J. Chemometr., 18, 242-252 (2004).

70. Cardoso D. R., Andrade-Sobrinho L. G., Leite-Neto A. F., Reche R. V., Isique W. D., Ferreira M. M. C., Lima-Neto B. S., Franco D. W., “Comparison between Cachaça and Rum using Pattern Recognition Methods”, J. Agric. Food Chem., 52, 3429-3433 (2004).


69. Gutteres M. V., Volpe P. O. L., Ferreira M. M. C., “Multiway Calibration for Creatinine Determination in Human Serum Using the Jaffé Reaction”, Appl. Spectrosc., Appl. Spectrosc., 58, 54-60 (2004).

68. Ferrão M. F., Furtado J. C., Neumann L. G., Konzen P. H. A., Morgano M. A., Bragagnolo N., Ferreira M. M. C.,  “TÉCNICA NÃO DESTRUTIVA DE ANÁLISE DE TANINO EM CAFÉ EMPREGANDO ESPECTROSCOPIA NO INFRAVERMELHO E ALGORITMO GENÉTICO”, Tecno-lóg., 7 (2003) 9-26.

67. Pinheiro J. C., Kiralj R., Ferreira M. M. C., Romero O. A. S., “Artemisinin Derivatives with Antimalarial Activity against Plasmodium falciparum Designed with the aid of Quantum Chemical and Partial Least Squares Methods”, QSAR Comb. Sci., 22, 830-842 (2003).

66. Souza, J. Jr., Santos R. H. A., Ferreira M. M. C., Molfetta F. A., Camargo A. J., Honório K. M., da Silva A. B. F.,  “A quantum chemical and statistical study of flavonoid compounds (flavones) with anti-HIV activity”, Eur. J. Med. Chem., 38, 929-938 (2003).

65. Ribeiro F. A. L., Ferreira M. M. C., “QSPR models of boiling point, octanol-water partition coefficient and retention time index of polycyclic aromatic hydrocarbons. Theochem-J. Mol. Struct., 663, 109-126 (2003).

64. Freire R. S., Ferreira M. M. C., Duran N., Kubota L. T., Dual amperometric biosensor device for analysis of binary mixtures of phenols by multivariate calibration using partial least squares”, Anal. Chim. Acta, 485, 263-269 (2003).

63. Kiralj R., Ferreira M. M. C.,  [DUŽINA HEMIJSKE VEZE U BENZENOIDNIM UGLJOVODONICIMA”][“BOND LENGTH PREDICTION FOR BENZENOID HYDROCARBONS], Chem. Rev. (Hem. Pregled), 44, 82-88 (2003).

62. Morgano M. A., Moriya C., Ferreira M. M. C., “DETERMINAÇÃO QUANTITATIVA DO TEOR DE SACAROSE EM AÇÚCAR CRISTAL POR ESPECTROSCOPIA FT-IR/ATR E REGRESSÃO MULTIVARIADA. [“QUANTITATIVE DETERMINATION OF SUCROSE IN GRANULATED SUGAR BY FT-IR/ATR SPECTROSCOPY AND MULTIVARIATE CALIBRATION”] Braz. J. Food. Technol., 6, 77-83 (2003).

61. Gurden S. P., Lage E. M., de Faria C. G., Joekes I., Ferreira M. M. C., Analysis of video images from a gas-liquid transfer experiment: a comparison of PCA and PARAFAC for multivariate image analysis. J. Chemometr., 17, 400-412 (2003).

60. Kiralj R., Ferreira M. M. C., Combined Computational and Chemometric Study of 1H-Indole-3-Acetic Acid. Int. J. Quant. Chem., 95, 237-251 (2003).

59. Custodio A. R., Ferreira M. M. C., Negri G., Salatino A.,Clustering of Comb and Propolis Waxes Based on the Distribution of Aliphatic Constituents. J. Braz. Chem. Soc., 14, 354-357 (2003).

58. Kiralj R., Ferreira M. M. C., “On heteroaromaticity of nucleobases. Bond lengths as multidimensional phenomena”. J. Chem. Inf. Comput. Sci., 43, 787 - 809 (2003).

57. Kiralj R., Y. Takahata, Ferreira M. M. C.,  “QSAR of Progestogens: Use of a Priori and Computed Molecular Descriptors and Molecular Graphics. QSAR Comb. Sci., 22, 430-448 (2003).

56. Kiralj R., Ferreira M. M. C., A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors. II. Molecular graphics and modeling.J. Mol. Graph. Mod., 21, 499-515 (2003).

55. Kiralj R., Ferreira M. M. C. ,Molecular Graphics-Structural and Molecular Graphics Descriptors in a QSAR Study of 17-a-Acetoxyprogesterones. J. Braz. Chem. Soc., 14, 20-26 (2003).

54. Cirino L. R., Ferreira M. M. C., “Estudo do Coeficiente de Partição Octanol-Água de Bifenilas Policloradas (PCBs) Utilizando Parâmetros Topológicos”. [“A Study of Octanol-Water Partition Coefficient of Polichlorinated Biphenyls (PCBs) Using Topological Parameters”] Quím. Nova, 26, 312-318 (2003).

53. Kiralj R., Ferreira M. M. C., A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors. I. The Chemometric approach. J. Mol. Graph. Mod., 21, 435-448 (2003).

52. Silva F. V., Kamogawa M. Y., Ferreira M. M. C., Nobrega J. A., Nogueira A. R. A., “Discriminação geográfica de águas minerais do Estado de São Paulo através da análise exploratória”. [“Geographical discrimination of mineral waters from São Paulo state through exploratory analysis”]Eclet. Quim., 27 Sp. Iss. SI, 91-102 (2002).

51. Ferreira E. C., Rodrigues S. H. B. G., Ferreira M. M. C., Nobrega J. A., Nogueira A. R. A., “Análise exploratória dos teores de constituintes inorgânicos em sucos e refrigerantes de uva”. [“Exploratory analysis of inorganic constitution contents in grape juices and soft drinks”] Eclet. Quim., 27 Sp. Iss. SI, 77-90 (2002).

50. Ferreira M. M. C., Multivariate QSAR. J. Braz. Chem. Soc., 13, 742-753 (2002).

49. Parreira T. F., Ferreira, M. M. C., Sales H. J. S., de Almeida W. B., Quantitative Determination of Epoxidized Soybean Oil Using Near Infrared Spectroscopy and Multivariate Calibration. Appl. Spectrosc., 56, 1607-1614 (2002).

48. 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. Theochem-J. Mol. Struct., 618, 219-224 (2002).

47. Bruni A. T., Ferreira M. M. C., “Omeprazole and analogue compounds: a QSAR study of activity against Helicobacter pylori using theoretical descriptors”. J. Chemometr., 16, 510-520 (2002).

46. dos Reis M. M., Ferreira M. M. C., PARAFAC with splines: a case study. J. Chemometr., 16, 444-450 (2002).

45. dos Reis M. M.,  Ferreira M. M. C., Sarmento S. B. S., “A multi-way analysis of starch cassava properties”, Chemometr. Intell. Lab. Syst., 64 123-135 (2002).

44. Fardim P., Ferreira M. M. C., Durán N., “MULTIVARIATE CALIBRATION FOR QUANTITATIVE ANALYSIS OF EUCALYPT KRAFT PULP BY NIR SPECTROMETRY”. J. Wood Chem. Tech., 22, 67-81 (2002).

43. Boscolo M., Franco D. W., Andrade-Sobrinho L. G., Lima-Neto B. S., Ferreira, M. M. C., Spectrophotometric Determination of Caramel Content in Spirits Aged in Oak Casks. J. AOAC Int., 85, 744-750 (2002).

42. Ferreira M. M. C., Montanari C., Gáudio A. G., “SELEÇÃO DE VARIÁVEIS EM QSAR”.["VARIABLE SELECTION IN QSAR"] Quím. Nova, 25, 439-448 (2002).

41. Kiralj R., Ferreira M. M. C., “Predicting Bond Lengths in Planar Benzenoid Polycyclic Aromatic Hydrocarbons: A Chemometrics Approach”. J. Chem. Inf. Comput. Sci., 42, 508-523 (2002).

40. Bruni A. T., Leite V. B. P., Ferreira M. M. C., Conformational Analysis: A New Approach by Means of Chemometrics”. J.Comput. Chem., 23, 222-236 (2002).

39. Antunes A. M., Ferreira M. M. C., Volpe. P. L. O., “A chemometric study of aminoacid transport through liquid membranes using UV-vis spectroscopy”.J. Chemometr., 16, 111-116, (2002).

38. Vendrame R., Ferreira M. M. C., Collins C. H., Takahata Y., “Structure-activity relationships (SAR) of contraceptive progestogens studied with four different methods using calculated physicochemical parameters”. J. Mol. Graph. Mod., 20, 345-358 (2002).

37. Kasheres, C., Negri, G., Ferreira, M. M. C., Sabino, L. C. Principal Component Analysis on the effect of nucleophiles on the reactivity of a-acylenaminoketones. J. Chem. Soc.-Perkin Trans. 2, 2237-2243 (2001).

36. Pinheiro J. C., Ferreira, M. M. C., Romero, O. A. S. “Antimalarial activity of dihydroartemisinin derivatives against P. falciparum resistant to mefloquine: a quantum chemical and multivariate study”. Theochem-J. Mol. Struct., 572, 35-44 (2001).

35. Alves C. N., Pinheiro J. C., Camargo A. J., Ferreira M. M. C., Romero R. A. F., da Silva, A. B. F., A multiple linear regression and partial least squares study study of flavonoid compounds with anti-HIV activity. Theochem-J. Mol. Struct., 541, 81-88 (2001).

34. dos Reis M. M., Biloti D. N., Ferreira, M. M. C., Pessine, F. B. T., Teixeira, G. M., PARAFAC for Spectral Curve Resolution: A Case Study Using Total Luminescence in Human Dental Tartar. Appl. Spectrosc., 55, 847-851 (2001).

33. Ferreira M. M. C., “Polycyclic aromatic hydrocarbons: a QSPR study”. Chemosphere, 44, 125-146 (2001).

32. dos Reis M. M., Gurden S. P., Smilde A. K., Ferreira M. M. C., Calibration and detailed analysis of second-order flow injection analysis data with rank overlap. Anal. Chim. Acta, 422, 21-36 (2000).

31. Ferreira M. M. C., Morgano M. A., de Queiroz S. C. D., Mantovani D. M. B., Relationships of the mineral and fatty acid contents in processed turkey meat products. Food Chem., 69, 259-265 (2000).

30. Alves C. N., Pinheiro J. C., Camargo A. J., Ferreira M. M. C., da Silva A. B. F.,  A structure activity relationship study of HEPT-analog compounds with anti-HIV activity. Theochem-J. Mol. Struct., 530, 39-47 (2000).

29. Marcucci M. C., Ferreres F., Custodio A. R., Ferreira M. M. C., Bankova V. S., Garcia-Viguera C., Bretz W. A. Evaluation of Phenolic Compounds in Brazilian Propolis from Different Geographic Regions. Z. Naturforsch, 55C, 76-81 (2000).

28. Antunes A. M., Melgo M. S., Ferreira M. M. C., Volpe P. L. O., KINETIC STUDY OF THE SIMULTANEOUS TRANSPORT OF AMINO ACIDS THROUGH HYDROPHOBIC LIQUID MEMBRANES USING AEROSOL OT WITH APPLICATION OF MULTIVARIATE CALIBRATION. Atual. Fís.-Quím. Org., 277-289 (1999).

27. Morgano, M. A., Queiroz, S. C. N., Ferreira, M. M. C.,Determinação dos teores de minerais em sucos de frutas por espectrometria de emissão ótica em plasma indutivamente acoplado (ICP-OES). [Minerals determination in juices by inductively coupled plasma optical emission spectrometry] Ci. Tecnol. Aliment., 19, 344-348 (1999).

26. Sanchez E. M. S., Ferreira M. M. C., Felisberti M. I., Avaliação da Degradação Térmica e Fotooxidativa do ABS Automotivo. [“A Study of the Thermal and Photooxidative Degradation of Motorcar ABS”] Polímeros, 9, 116-122, (1999).

25. Sarmento S. B. S., dos Reis M. M., Ferreira, M. M. C., Cereda, M. P., Penteado M. V. C., dos Anjos C. B., Análise Quimiométrica de Propriedades Físicas, Fisico-químicas e Funcionais de Féculas de Mandioca. [“Physical, Physicochemical and Functional Properties of Cassava Starch Chemometric Analysis”] Braz. J. Food. Technol., 2, 131-137 (1999).

24. Morgano, M. A., Queiroz, S. C. N., Ferreira, M. M. C., Aplicação da Análise Exploratória na Diferenciação de Vegetais. [“Application of Exploratory Analysis to the Differentiation of Vegetables”] Braz. J. Food Technol., 2, 73-79 (1999).

23. Ferreira M. M. C., Antunes A. M., Melo M. S., Volpe P. L. O., “Quimiometria I: Calibração Multivariada, um Tutorial”. [Chemometrics I: Multivariate Calibration, an Tutorial] Quím. Nova, 22, 724-731 (1999).

22. Biloti B. N., dos Reis M. M., Ferreira M. M. C., Pessine F. B. T., Photochemical behavior under UVA radiation of b-cyclodextrin included ParsolÒ1789 with a chemometric approach. J. Mol. Struct., 481, 557-561 (1999).

21. Antunes A. M., Ferreira M. M. C., Melgo M. S., Volpe. P. L. O., Potassium transport trough liquid membranes using spectral and chemometric methods. J. Mol. Struct., 481, 563-567 (1999).

20. Ferreira M. M. C., Faria C. G.,  Paes E. T., “Oceanographic characterization of northern São Paulo Coast: a chemometric study”. Chemometr. Intell. Lab. Syst., 47, 289-297 (1999).

19. dos Reis M. M., Ferreira M. M.C., “Separação dos espectros simulados e de luminescência total através do método generalizado de anulação do posto (gram)”. [curve resolution of simulated and total luminescence spectra by generalized rank annihilation method (GRAM)] Quím. Nova, 22, 11-17 (1999).
 
18. Ferreira M. M. C., Ferreira W. C. Jr., Lino A. C., Porto M. E. G., Uncovering Oscillations, Complexity and Chaos in Chemical Kinetics Using  Mathematica.”J. Chem Educ., 76, 861-866 (1999).

17. Benar P., Mandelli D., Gonçalves A. R. C., Ferreria M. M. C., Schuchardt U., Principal component analysis on the   hydroxymethylation of sugarcane lignin: a time-depending study by FTIR. J. Wood Chem. Technol., 19, 151-165 (1999).

16. Subramanian S., Ferreira M. M. C., Trsic M., “A Structure - Activity Relationship Study of Lapachol and Some Derivatives of 1,4 - Naphthoquinone Against Carcinosarcoma Walker 256”. Struct. Chem., 9, 47-57 (1998).

15. Ferreira M. M. C., Ferreira W. C. Jr., Kowalski B. R., “Rank determination and analysis of non-linear processes by global linearizing transformation”. J. Chemometr., 10, 11-30 (1996).

14. Ferreira M. M. C., Brandes M. L., Ferreira I. M. C., Booksh K. S., Dolowy, W. C., Gouterman, M., Kowalski, B. R., “Chemometric Study of the Fluorescence of Dental Calculus by Trilinear Decomposition”. Appl. Spectrosc., 49, 1317-1325 (1995).

13. Ferreira M. M. C., Porto M. E. G., “Uma Química Quântica Visual: Unindo o Útil ao Agradável”. [“Visual Quantum Chemistry: Putting together Useful and Pleasant”] Quím. Nova, 16, 589-595, (1993).

12. Ferreira M. M. C., “Population Analysis from Atomic Polar Tensors?”. J. Mol. Struct., 294, 75-78 (1993).

11. Ferreira M. M. C., “Ab-initio Atomic Charges from Atomic Polar Tensors”. J. Mol. Struct., 266, 223-228 (1992).

10. Ferreira  M. M. C., Suto E., “Atomic polar tensor transferability and atomic charges in the fluoromethane series”. J. Phys.Chem.,96, 8844-8849 (1992).

9. Suto E., Ferreira M. M. C., Bruns R. E., “Principal Component Analysis of Dipole Moment Derivative Signs of Chloroform”. J. Comput. Chem., 12, 885-890 (1991).

8. Ferreira M. M. C., “Interpretation of infrared intensities based on the atomic polar tensor partition. the roh molecules (R=H, CH3, NH2 OH, F)”, J. Mol. Struct., 218, 285-289 (1990).

7. Ferreira M. M. C., “Partition of the Dipole Moment and Atomic Polar Tensor: The Water Molecule”. J. Phys. Chem., 94, 3220-3223 (1990).

6. Ferreira M. M. C., Neto B. B., Bruns R. E., “Dipole Moment Derivative Signs, Polar Tensors and Vibrational Intensities of C2F6”. J. Phys. Chem., 93, 2957-2959 (1989).

5. Neto B. B., Ferreira M. M. C., Scarminio I. S., Bruns R. E., “An Exploratory Analysis of Experimental Polar Tensor Data”. J. Phys. Chem., 93, 1728-1733 (1989).

4. Ferreira M. M. C., Bassi  A. B. M. S., “The polar tensors, effective charges and separation ratios of overlapped bands in methanes”. Spectrochim. Acta, A43, 1287-1292 (1987).

3. Ramos  M. N., Ferreira, M. M. C., “Infrared intensities of diacethylene and acidity of acetilenic hydrogens”. Spectrochim. Acta, A43, 345-348 (1987).

2. Ferreira M. M. C., Bassi A. B. M. S., “The polar tensor effective charges and infrared  intensities of silanes”. J. Chem. Phys., 81, 6-10 (1984).

1. Bassi A. B. M. S., Ferreira M. M. C., “On the G sum rule formulation”. J. Chem. Phys., 80, 6326-6327 (1984).