[“DUŽINA HEMIJSKE VEZE U BENZENOIDNIM UGLJOVODONICIMA”] [“BOND
LENGTH PREDICTION FOR BENZENOID HYDROCARBONS”],
Chem. Rev. (Hem.
Pregled),
44, 82-88 (2003).
Profa. Dra. Márcia M. C. Ferreira: List of Publications
in Journals
with Citation/Publication Statistics
in chronological order
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
Morgano M. A., Ferreira M. M. C., et al., "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).
|
|
|
|
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 SPREADSHEET: A NEW TOOL
FOR ESTIMATING THE ANALYTICAL FIGURES OF MERIT FOR THE VALIDATION OF UNIVARIATE
METHODS"], Quim. Nova, 31, 164-171 (2008).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
Buydens L., Ferreira M. M. C., Rutan S., "Editorial", Anal.
Chim. Acta,
595, 1-2 (2007).
|
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
|
|
Morgano M. A., de Faria C. G., Ferrão M. F., Ferreira M. M. C.,
"DETERMINAÇÃO DE AÇÚCAR TOTAL EM CAFÉ
CRU POR ESPECTROSCOPIA NO INFRAVERMELHO 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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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.
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
Kiralj R., Ferreira M. M. C., “On heteroaromaticity of nucleobases. Bond lengths as multidimensional phenomena”. J. Chem. Inf. Comput. Sci., 43, 787 - 809 (2003).
ChemInform, 34(34), (2003), Online: 29 July 2003.
|
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
QSAR Comb. Sci., 22(2), (2003), 317-318.
|
|
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
|
Ferreira M. M. C., “Multivariate QSAR”. J. Braz. Chem. Soc.,
13,
742-753 (2002).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
dos Reis M. M., Ferreira M. M. C., “PARAFAC with splines: a case
study”. J. Chemometr., 16, 444-450 (2002).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
Ferreira M. M. C., Montanari C., Gáudio A. G., “SELEÇÃO
DE VARIÁVEIS EM QSAR”.["VARIABLE SELECTION IN QSAR"]
Quím.
Nova, 25, 439-448 (2002).
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
Ferreira M. M. C., “Polycyclic aromatic hydrocarbons: a QSPR study”.
Chemosphere,
44,
125-146 (2001).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
|
|
Ferreira M. M. C., “Population Analysis from Atomic Polar Tensors?”.
J.
Mol. Struct., 294, 75-78 (1993).
|
|
|
|
Ferreira M. M. C., “Ab-initio Atomic Charges from Atomic Polar Tensors”.
J.
Mol. Struct., 266, 223-228 (1992).
|
|
|
|
Ferreira M. M. C., Suto E., “Atomic polar tensor transferability
and atomic charges in the fluoromethane series”. J. Phys. Chem.,96,
8844-8849 (1992).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
Ferreira M. M. C., “Partition of the Dipole Moment and Atomic Polar
Tensor: The Water Molecule”. J. Phys. Chem., 94, 3220-3223
(1990).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
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).
|
|
|
|
Ramos M. N., Ferreira, M. M. C., “Infrared intensities of diacethylene
and acidity of acetilenic hydrogens”. Spectrochim. Acta, A43,
345-348 (1987).
|
|
|
|
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).
|
|
|
|
Bassi A. B. M. S., Ferreira M. M. C., “On the G sum rule formulation”.
J.
Chem. Phys., 80, 6326-6327 (1984).
|
|
|
|
Brief information about the Journals
