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Items: 19

1.

Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems.

de Carvalho F, Coutinho Neto MD, Bartoloni FH, Homem-de-Mello P.

Molecules. 2018 May 21;23(5). pii: E1231. doi: 10.3390/molecules23051231.

2.

Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30.

Louet M, Labbé CM, Fagnen C, Aono CM, Homem-de-Mello P, Villoutreix BO, Miteva MA.

PLoS One. 2018 May 10;13(5):e0197249. doi: 10.1371/journal.pone.0197249. eCollection 2018.

3.

Evaluation of degradation mechanism of chlorhexidine by means of Density Functional Theory calculations.

Salvador MA, Sousa CP, Morais S, Lima-Neto P, Correia AN, Homem-de-Mello P.

Comput Biol Chem. 2017 Dec;71:82-88. doi: 10.1016/j.compbiolchem.2017.10.001. Epub 2017 Oct 3.

PMID:
28987295
4.

Mechanistic model for the firefly luciferin regeneration in biomimetic conditions: a model for the in vivo process?

Salatino CT, Melo DU, Yoshitake AM, Sgarbi LS, Homem-de-Mello P, Bartoloni FH, Ciscato LFML.

Org Biomol Chem. 2017 Apr 18;15(16):3479-3484. doi: 10.1039/c7ob00603a.

PMID:
28379268
5.

Quantum-chemistry descriptors for photosensitizers based on macrocycles.

Bettanin F, Antonio FC, Honorio KM, Homem-de-Mello P.

Chem Biol Drug Des. 2017 Feb;89(2):207-220. doi: 10.1111/cbdd.12791. Review.

PMID:
28205402
6.

Morphological dependence of silver electrodeposits investigated by changing the ionic liquid solvent and the deposition parameters.

Figueredo-Sobrinho FA, Santos LP, Leite DS, Craveiro DC, Santos SH, Eguiluz KI, Salazar-Banda GR, Maciel CD, Coutinho-Neto MD, Homem-de-Mello P, de Lima-Neto P, Correia AN.

Phys Chem Chem Phys. 2016 Mar 14;18(10):7242-50. doi: 10.1039/c5cp06665d.

PMID:
26891224
7.

Cytotoxicity of phenothiazine derivatives associated with mitochondrial dysfunction: a structure-activity investigation.

de Faria PA, Bettanin F, Cunha RL, Paredes-Gamero EJ, Homem-de-Mello P, Nantes IL, Rodrigues T.

Toxicology. 2015 Apr 1;330:44-54. doi: 10.1016/j.tox.2015.02.004. Epub 2015 Feb 14.

PMID:
25686698
8.

Diclofenac on boron-doped diamond electrode: from electroanalytical determination to prediction of the electrooxidation mechanism with HPLC-ESI/HRMS and computational simulations.

Lucas FW, Mascaro LH, Fill TP, Rodrigues-Filho E, Franco-Junior E, Homem-de-Mello P, de Lima-Neto P, Correia AN.

Langmuir. 2014 May 20;30(19):5645-54. doi: 10.1021/la4044123. Epub 2014 May 8.

PMID:
24806390
9.

Riboflavin-photosensitized oxidation is enhanced by conjugation in unsaturated lipids.

Cardoso DR, Scurachio RS, Santos WG, Homem-de-Mello P, Skibsted LH.

J Agric Food Chem. 2013 Mar 6;61(9):2268-75. doi: 10.1021/jf305280x. Epub 2013 Feb 25.

PMID:
23402498
10.

Copper(II) complexation to 1-octarepeat peptide from a prion protein: insights from theoretical and experimental UV-visible studies.

dos Santos NV, Silva AF, Oliveira VX Jr, Homem-de-Mello P, Cerchiaro G.

J Inorg Biochem. 2012 Sep;114:1-7. doi: 10.1016/j.jinorgbio.2012.04.008. Epub 2012 Apr 27.

PMID:
22687559
11.

The interaction of an azo compound with a surfactant and ion pair adsorption to solid phases.

Gomes AC, Cafer LD, Homem-de-Mello P, Coutinho-Neto MD, Gaubeur I.

J Colloid Interface Sci. 2012 Feb 1;367(1):370-7. doi: 10.1016/j.jcis.2011.10.032. Epub 2011 Oct 21.

12.

Reactivity of beer bitter acids toward the 1-hydroxyethyl radical as probed by spin-trapping electron paramagnetic resonance (EPR) and electrospray ionization-tandem mass spectrometry (ESI-MS/MS).

de Almeida NE, Homem-de-Mello P, De Keukeleire D, Cardoso DR.

J Agric Food Chem. 2011 Apr 27;59(8):4183-91. doi: 10.1021/jf104797d. Epub 2011 Mar 14.

PMID:
21401101
13.

Role of physicochemical properties in the activation of peroxisome proliferator-activated receptor δ.

Maltarollo VG, Homem-de-Mello P, Honorio KM.

J Mol Model. 2011 Oct;17(10):2549-58. doi: 10.1007/s00894-010-0935-x. Epub 2011 Jan 5.

PMID:
21207086
14.

Light-induced oxidation of unsaturated lipids as sensitized by flavins.

Huvaere K, Cardoso DR, Homem-de-Mello P, Westermann S, Skibsted LH.

J Phys Chem B. 2010 Apr 29;114(16):5583-93. doi: 10.1021/jp9121744.

PMID:
20377218
15.

Theoretical study on the molecular and electronic properties of some substances used for diabetes mellitus treatment.

Maltarollo VG, Homem-de-Mello P, Honório KM.

J Mol Model. 2010 Apr;16(4):799-804. doi: 10.1007/s00894-009-0627-6. Epub 2009 Dec 12.

PMID:
20012454
16.

DFT and electrochemical studies on nortriptyline oxidation sites.

de Toledo RA, Santos MC, Suffredini HB, Homem-de-Mello P, Honorio KM, Mazo LH.

J Mol Model. 2009 Aug;15(8):945-52. doi: 10.1007/s00894-009-0451-z. Epub 2009 Jan 27.

PMID:
19172315
17.

Langmuir-Blodgett films of diazobenzene molecules.

Silva JR, de Souza NC, Fernandes VC, Homem-de-Mello P, Oliveira ON Jr.

J Colloid Interface Sci. 2008 Nov 1;327(1):31-5. doi: 10.1016/j.jcis.2008.08.004. Epub 2008 Aug 8.

PMID:
18755472
18.
19.

Deactivation of triplet-excited riboflavin by purine derivatives: important role of uric acid in light-induced oxidation of milk sensitized by riboflavin.

Cardoso DR, Homem-de-Mello P, Olsen K, da Silva AB, Franco DW, Skibsted LH.

J Agric Food Chem. 2005 May 4;53(9):3679-84.

PMID:
15853419

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