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Data do documentoTítuloAutor(es)
Jan-20121,2-Difluoroethane: the angular dependance on 1JCF coupling constants is independent of hyperconjugationFreitas, Matheus P.; Bühlb, Michael; O'Hagan, David
Dez-20111hJFH coupling in 2-fluorophenol revisited: is intramolecular hydrogen bond responsible for this long-range coupling?Cormanich, Rodrigo A.; Moreira, Marilua A.; Freitas, Matheus P.; Ramalho, Teodorico C.; Anconi, Cléber P. A.; Rittner, Roberto; Contreras, Rubén H.; Tormena, Cláudio F.
-2D chemical drawings correlate to bioactivities: MIA-QSAR modelling of antimalarial activities of 2,5-diaminobenzophenone derivativesCormanich, Rodrigo A.; Freitas, Matheus P.; Rittner, Roberto
15-Abr-20152D-Discrete Fourier Transform: generalization of the MIA-QSAR strategy in molecular modelingBarigye, Stephen J.; Freitas, Matheus P.
Jun-20193D perspective into MIA‐QSAR: a case for anti‐HCV agentsDaré, Joyce K.; Ramalho, Teodorico C.; Freitas, Matheus P.
Jul-2011Alkyl group effect on the conformational isomerism of trans-2-bromo-alkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculationsSilla, Josué M.; Cormanich, Rodrigo A.; Duarte, Claudimar J.; Freitas, Matheus P.; Ramalho, Teodorico C.; Barbosa, Thaís M.; Santos, Francisco P.; Tormena, Cláudio F.; Rittner, Roberto
27-Jul-2011Alkyl group effect on the conformational isomerism of trans-2-bromoalkoxycyclohexanes analyzed by NMR spectroscopy and theoretical calculationsSilla, Josué M.; Cormanich, Rodrigo A.; Duarte, Claudimar J.; Freitas, Matheus P.; Ramalho, Teodorico C.; Barbosa, Thaís M.; Santos, Francisco P.; Tormena, Cláudio F.; Rittner, Roberto
24-Jan-2019An anomalous effect of fluorine on the conformational equilibrium of 2-fluorocyclohexane-1,3-dioneAndrade, Laize A. F.; Silla, Josué M.; Freitas, Matheus P.
14-Jul-2021An examination of the relationship between molecular dipole moment and blood-gas partition for common anaesthetic gasesMartins, Francisco A.; Freitas, Matheus P.
Set-2018Anion effect on the conformational equilibrium of sulfamide and its N,N'-diindolyl derivative: insights on anion transportationMendonça, João G. P.; Fernandes, Sergio A.; Cormanich, Rodrigo A.; Freitas, Matheus P.
Out-2009Ant colony optimization as a feature selection method in QSAR modeling of anti-HIV-1 activities of 3-(3,5-Dimethylbenzyl)uracil derivatives using MLR and SVM regressionGoodarzi, Mohammad; Freitas, Matheus P.; Jensen, Richard
19-Ago-2014Aug-MIA-QSPR modeling of the soil sorption of carboxylic acid herbicidesFreitas, Mirlaine R.; Freitas, Matheus P.; Macedo, Renato L. G.
15-Mai-2014Aug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokircheriella subcapitataGuimarães, Maria C.; Mota, Estella G.da; Silva, Daniel G.; Freitas, Matheus P.
25-Mai-2013aug-MIA-QSPR study of guanidine derivative sweetenersNunes, Cleiton A.; Freitas, Matheus P.
15-Abr-2016Aug-MIA-SPR/PLS-DA classification of carbonyl herbicides according to levels of soil sorptionFreitas, Mirlaine R.; Barigye, Stephen J.; Daré, Joyce K.; Freitas, Matheus P.
15-Ago-2013Augmented multivariate image analysis applied to quantitative structure-activity relationship modeling of the phytotoxicities of benzoxazinone herbicides and related compounds on problematic weedsFreitas, Mirlaine R.; Matias, Stella V. B. G.; Macedo, Renato L. G.; Freitas, Matheus P.; Venturin, Nelson
2009Bean plant production of dry matter and grain related to soil citric acid–extractable copper, zinc, cadmium, and leadCarvalho, Alexandre V. S.; Carvalho, Ruy; Abreu, Celeste M. P.; Furtini Neto, Antônio E.; Freitas, Matheus P.
2009Bi- and multilinear PLS coupled to MIA-QSAR in the prediction of antifungal activities of some benzothiazole derivativesBitencourt, Michelle; Freitas, Matheus P.
30-Nov-2012Chemoface: a novel free user-friendly interface for chemometricsNunes, Cleiton A.; Freitas, Matheus P.; Pinheiro, Ana Carla M.; Bastos, Sabrina C.
2019Colorimetric, electroanalytical and theoretical evaluation of the antioxidant activity of Syzygium aromaticum L., Origanum vulgare L., Mentha spicata L. and Eremanthus erythropappus M. essential oils, and their major constituentsFerreira, Vanuzia Rodrigues Fernandes; Brandão, Rafaela Magalhães; Freitas, Matheus P.; Saczk, Adelir Aparecida; Felix, Fabiana Silva; Silla, Josué M.; Teixeira, Maria Luisa; Cardoso, Maria das Graças
16-Dez-2014Coloured chemical image-based models for the prediction of soil sorption of herbicidesFreitas, Mirlaine R.; Barigyea, Stephen J.; Freitas, Matheus P.
19-Jan-2012Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonolsFonseca, Tânia A. O.; Freitas, Matheus P.; Cormanich, Rodrigo A.; Ramalho, Teodorico C.; Tormena, Cláudio F.; Rittner, Roberto
Jul-2012Computer-assisted assessment of potentially useful non-peptide HIV-1 protease inhibitorsDeeb, Omar; Cunha, Elaine F. F. da; Cormanich, Rodrigo A.; Ramalho, Teodorico C.; Freitas, Matheus P.
Mar-2014Computer-assisted design of dual-target anti-HIV-1 compoundsGuimarães, Maria C.; Silva, Daniel G.; Mota, Estella G. da; Cunha, Elaine F. F. da; Freitas, Matheus P.
2014Computer-assisted design of novel 1,4-dihydropyridine calcium channel blockersMota, Estella G. da; Silva, Daniel G.; Guimarães, Maria C.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Mar-2022Computer-assisted improvement of sulfonylureas with antifungal properties and limited herbicidal activity: potential application in forage conservationFaria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
18-Jul-2022Computer-assisted proposition of promising aryloxyacetic acid derivatives as HPPD inhibitorsMartins, Francisco Antonio; Daré, Joyce K.; Freitas, Matheus P.
Mar-2011Conformational analysis and intramolecular interactions in 2-haloethanols and their methyl ethersSouza, Felipe R.; Freitas, Matheus P.
29-Jan-2013Conformational analysis and intramolecular interactions in aminofluorobenzoic acidsSilla, Josué M.; Cormanich, Rodrigo A.; Rittner, Roberto; Freitas, Matheus P.
2013Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acidsSilla, Josué M.; Cormanich, Rodrigo A.; Freitas, Matheus P.; Rittner, Roberto
Out-2013Conformational analysis of 1-chloro- and 1-bromo-2-propanolGonçalves, Karla M. S.; Garcia, Danielle R.; Ramalho, Teodorico C.; Figueroa-Villar, José D.; Freitas, Matheus P.
16-Abr-2014Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effectSilla, Josué M.; Duarte, Claudimar J.; Cormanich, Rodrigo A.; Rittner, Roberto; Freitas, Matheus P.
2-Out-2013Conformational analysis of 6-fluorosalicylic acidSilla, Josué M.; Duarte, Claudimar J.; Rittner, Roberto; Freitas, Matheus P.
5-Dez-2021Conformational analysis of halobenzaldehydes: a theoretical and spectroscopic studyFernandes, Débora da S. M.; Lago, Aline de F. S.; Thomasi, Sérgio S.; Freitas, Matheus P.
Ago-2012Conformational analysis, stereoelectronic interactions and NMR properties of 2-fluorobicyclo[2.2.1]heptan-7-olsRezende, Fátima M. P. de; Moreira, Marilua A.; Cormanich, Rodrigo A.; Freitas, Matheus P.
Jun-2021Conformational and substituent effects on the rehybridization of boron in β-substituted ethylboranesMartins, Francisco A.; Freitas, Matheus P.
Out-2015Conformational exploration of enflurane in solution and in a biological environmentAndrade, Laize A. F.; Silla, Josué M.; Stephens, Susanna L.; Marat, Kirk; Cunha, Elaine F. F. da; Ramalho, Teodorico C.; van Wijngaarden, Jennifer; Freitas, Matheus P.
2020Conformational fingerprints in the modelling performance of MIA-QSAR: a case for SARS-CoV protease inhibitorsDaré, Joyce K.; Silva, Daniela R.; Ramalho, Teodorico C.; Freitas, Matheus P.
24-Ago-2017Conformational impact of structural modifications in 2-fluorocyclohexanoneMartins, Francisco A.; Silla, Josué M.; Freitas, Matheus P.
Out-2020Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity predictionSilva, Daniela Rodrigues; Daré, Joyce K.; Freitas, Matheus P.
2019Conformational signature of Ishikawa´s reagent using NMR information from diastereotopic fluorinesAndrade, Laize A. F.; Zeoly, Lucas A.; Cormanich, Rodrigo A.; Freitas, Matheus P.
Ago-2012Density functional study of the one-bond C-F coupling constant in a-fluorocarbonyl and a-fluorosulfonyl compoundsFreitas, Matheus P.; Bühl, Michael
2010Description of the acid/base behavior of organic phosphines using ab initio and chemometric approachesSantiago, Regis T.; La Porta, Felipe A.; Rocha, Marcus V. J.; Ramalho, Teodorico C.; Freitas, Matheus P.; Cunha, Elaine F. F. da
Abr-2015DFT study of the 1JC-F coupling constant in X-CHF-X fragments (X = O and S)Silla, Josué M.; Freitas, Matheus P.
Dez-2017DFT study on the complexation of anions with 1,4,7,10,13,16-hexaazacyclooctodeca-2,5,8,11,14,17-hexaeneAndrade, Laize A. F.; Silla, Josué M.; Mendonça, João Guilherme P.; Freitas, Matheus P.
15-Mai-2021Different approaches to encode and model 3D information in a MIA-QSAR perspectiveDaré, Joyce K.; Freitas, Matheus P.
1-Set-2021Dipolar repulsion in α-halocarbonyl compounds revisitedSilva, Daniela Rodrigues; Santos, Lucas de Azevedo; Hamlin, Trevor A.; Bickelhaupt, F. Matthias; Freitas, Matheus P.; Guerra, Célia Fonseca
2018Discrete fourier transform based multivariate image analysis: application to modeling aromatase inhibitory activityBarigye, Stephen J.; Freitas, Matheus P.; Ausina, Priscila; Zancan, Patricia; Sola-Penna, Mauro; Castillo-Garit, Juan A.
2019Does induced current density explain the C–H and C–F Perlin effects?Martins, Francisco A.; Pires, Felipe C.; Cunha, Elaine F. F. da; Freitas, Matheus P.
19-Set-2014Does intramolecular hydrogen bond play a key role in the stereochemistry of α- and β-d-glucose?Silla, Josué M.; Cormanich, Rodrigo A.; Rittner, Roberto; Freitas, Matheus P.
30-Dez-2013Effect of cadmium on the content, accumulation and translocation of nutrients in bean plant cultivated in nutritive solutionCannata, Marcele G.; Bertoli, Alexandre C.; Carvalho, Ruy; Bastos, Ana Rosa R.; Freitas, Matheus P.; Augusto, Amanda S.
22-Fev-2013Effects of cadmium and lead on plant growth and content of heavy metals in arugula cultivated in nutritive solutionCannata, Marcele G.; Carvalho, Ruy; Bertoli, Alexandre C.; Augusto, Amanda S.; Bastos, Ana Rosa R.; Carvalho, Janice G.; Freitas, Matheus P.
22-Fev-2013Effects of lead on the content, accumulation, and translocation of nutrients in bean plant cultivated in nutritive solutionCannata, Marcele G.; Carvalho, Ruy; Bertoli, Alexandre C.; Bastos, Ana Rosa R.; Carvalho, Janice G.; Freitas, Matheus P.; Augusto, Amanda S.
2010Em busca da conservação ambiental: a contribuição da percepção ambiental para a formação e atuação dos profissionais da químicaFreitas, Mirlaine R.; Macedo, Renato L. G.; Ferreira, Eric B.; Freitas, Matheus P.
25-Jul-2014Endocyclic oxygen in 3-fluorodihydro-2H-pyran-4(3H)-one that does not induce the gauche effectSilva, Thayná F. B.; Andrade, Laize A. F.; Silla, Josué M.; Duarte, Claudimar J.; Rittner, Roberto; Freitas, Matheus P.
2012Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulationsDeeb, Omar; Alfalah, Sherin; Freitas, Matheus P.; Cunha, Elaine F. F. da; Ramalho, Teodorico C.
2015Exploring MIA-QSAR´s for antimalarial quinolon-4(1H)-iminesDuarte, Mariene H.; Barigye, Stephen J.; Freitas, Matheus P.
Jan-2017Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutantsMota, Estella G. da; Duarte, Mariene H.; Barigye, Stephen J.; Ramalho, Teodorico C.; Freitas, Matheus P.
Jan-2017Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutantsMota, Estella G. da; Duarte, Mariene H.; Barigye, Stephen J.; Ramalho, Teodorico C.; Freitas, Matheus P.
2015Exploring structure-based drug design for the development of multi-target antihypertensivesMota, Estella G. da; Cunha, Elaine F. F. da; Freitas, Matheus P.
Mar-2012F...HO intramolecular hydrogen bond forming five-membered rings hardly appears in monocyclic organofluorine compoundsCormanich, Rodrigo A.; Freitas, Matheus P.; Tormena, Cláudio F.; Rittner, Roberto
Abr-2009Feature selection and linear/non-linear regression methods for the accurate prediction of glycogen synthase kinase-3β inhibitory activitiesGoodarzi, Mohammad; Freitas, Matheus P.; Jensen, Richard
Ago-2012F···HO as the main transmission mechanism for 1hJF,H(O) coupling constant in 2'-fluoroflavonolFonseca, Tânia A. O.; Ramalho, Teodorico C.; Freitas, Matheus P.
30-Dez-2013Gauche preference of β-fluoroalkyl ammonium saltsSilla, Josué M.; Silva, Weslley G. D. P.; Cormanich, Rodrigo A.; Rittner, Roberto; Tormena, Cláudio F.; Freitas, Matheus P.
2016A halogen bond does not dictate the conformational preferences of cis-1,3-disubstituted cyclohexanesSilla, Josué M.; Freitas, Matheus P.
Jul-2009Hydrogen bonding and stereoelectronic effects in the conformational isomerism of trans-2-BromocyclohexanolDuarte, Claudimar J.; Freitas, Matheus P.
2014Hydrophobic noncovalent interactions of inosine-phenylalanine: a theoretical model for investigating the molecular recognition of nucleobasesSantos, Lucas A.; Cunha, Elaine F. F. da; Freitas, Matheus P.; Ramalho, Teodorico C.
Fev-2009Improvement of MIA-QSAR analysis by using wavelet-pca ranking variable selection and LS-SVM regression: QSAR study of checkpoint kinase WEE1 inhibitorsCormanich, Rodrigo A.; Goodarzi, Mohammad; Freitas, Matheus P.
3-Ago-2022In silico interactions of the components from the Schinus terebinthifolius extract with human TyrosinaseBezerra, Julia N.; Spadeto, João Paulo M.; Daré, Joyce K.; Almeida, Wanda Pereira; Freitas, Matheus P.; Cormanich, Rodrigo A.
Nov-2022In silico modeling of the AHAS inhibition of an augmented series of pyrimidine herbicides and design of novel derivativesFaria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Jun-2022In silico-guided proposition of potential nematocidal and antibacterial N-(1,3,4-thiadiazol-2-yl)benzamidesLicona, Jessica S. F.; Pereira, Ingrid V.; Faria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Jul-2019Influence of stereoelectronic effects on the 1JC─F spin–spin coupling constant in fluorinated heterocyclic compoundsSilla, Josué M.; Andrade, Laize A. F.; Freitas, Matheus P.
2017Infrared Fingerprints of nN → σ*NH Hyperconjugation in HydrazidesAndrade, Laize A. F.; Silla, Josué M.; Cormanich, Rodrigo A.; Freitas, Matheus P.
2016Interactions affecting 1JC–F SSCCs in neutral and ionic 2-, 3- and 4-fluoro-substituted piperidines: normal and reverse fluorine Perlin-like effectSilla, Josue M.; Freitas, Matheus P.
Abr-2016Interactions fulvate-metal (Zn2+, Cu2+ and Fe2+): theoretical investigation of thermodynamic, structural and spectroscopic propertiesBertoli, Alexandre C.; Garcia, Jerusa S.; Trevisan, Marcello G.; Ramalho, Teodorico C.; Freitas, Matheus P.
5-Ago-2015Intramolecular interactions contributing for the conformational preference of bioactive diphenhydramine: manifestation of the gauche effectRezende, Fátima M.P.de; Andrade, Laize A.F.; Freitas, Matheus P.
2011Investigations on the relationship between extracting (DTPA) solutions and plant (Phaseolus vulgaris) in the uptake of cadmium and lead from latosolsCarvalho, Alexandre V. S.; Carvalho, Ruy; Abreu, Celeste M. P.; Furtini Neto, Antônio E.; Freitas, Matheus P.
19-Ago-2022Iodine gauche effect induced by an intramolecular hydrogen bondMartins, Francisco A.; Santos, Lucas de Azevedo; Silva, Daniela Rodrigues; Guerra, Célia Fonseca; Bickelhaupt, F. Matthias; Freitas, Matheus P.
2016Is conformation a fundamental descriptor in QSAR? A case for halogenated anestheticsGuimarães, Maria C.; Duarte, Mariene H.; Silla, Josué M.; Freitas, Matheus P.
5-Set-2015Is molecular alignment an indispensable requirement in the MIA-QSAR method?Barigye, Stephen J.; Freitas, Matheus P.