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1.
J Mol Model ; 25(3): 64, 2019 Feb 13.
Article in English | MEDLINE | ID: mdl-30759287

ABSTRACT

In protein electron transfer reaction rate calculations, the electronic Hamiltonian is apportioned into donor-acceptor (D-A) and protein bridge subspaces, and a two-state system is defined for the D-A subspace. Löwdin partitioning is used to perform the two-state reductions necessary to compute the tunneling matrix element between D and A sites. Here, a method of performing donor and acceptor state analysis for a non-orthogonal basis set in both the weak and strong electronic coupling regimes is developed. The electron tunneling current and coupling are obtained in terms of D-A symmetric and antisymmetric interatomic tunneling elements, and are then used to compare pathway models. These interatomic tunneling elements are both proportional to the Green's function elements of the isolated protein bridge. To facilitate a perturbative treatment of antisymmetric interatomic tunneling currents, we found a well-known expression for the D-A tunneling matrix element in terms of transformed Green's function matrix elements of the isolated protein bridge. Also, the relationship of the tunneling matrix element to BO pathways is discussed using the symmetric interatomic coupling. Finally, the definition of the average interatomic and atomic pathway coupling allows us obtain the quantum interference between interatomic tunneling pathways.


Subject(s)
Electron Transport , Electrons , Models, Molecular , Proteins/chemistry , Models, Theoretical
2.
Braz. j. med. biol. res ; 48(6): 557-567, 06/2015. tab, graf
Article in English | LILACS | ID: lil-748226

ABSTRACT

Hyaluronan (HA) shows promise for detecting cancerous change in pleural effusion and urine. However, there is uncertainty about the localization of HA in tumor tissue and its relationship with different histological types and other components of the extracellular matrix, such as angiogenesis. We evaluated the association between HA and degree of malignancy through expression in lung tumor tissue and sputum. Tumoral tissue had significantly increased HA compared to normal tissue. Strong HA staining intensity associated with cancer cells was significant in squamous cell carcinoma compared to adenocarcinoma and large cell carcinoma. A significant direct association was found between tumors with a high percentage of HA and MVD (microvessel density) in tumoral stroma. Similarly significant was the direct association between N1 tumors and high levels of HA in cancer cells. Cox multivariate analysis showed significant association between better survival and low HA. HA increased in sputum from lung cancer patients compared to cancer-free and healthy volunteers and a significant correlation was found between HA in sputum and HA in cancer tissue. Localization of HA in tumor tissue was related to malignancy and reflected in sputum, making this an emerging factor for an important diagnostic procedure in patients suspected to have lung cancer. Further study in additional patients in a randomized prospective trial is required to finalize these results and to validate our quantitative assessment of HA, as well as to couple it to gold standard sputum cytology.


Subject(s)
Adult , Aged , Aged, 80 and over , Female , Humans , Male , Middle Aged , Carcinoma/chemistry , Hyaluronic Acid/analysis , Lung Neoplasms/chemistry , Sputum/chemistry , Biopsy , Biomarkers, Tumor/analysis , Case-Control Studies , Carcinoma/pathology , Enzyme-Linked Immunosorbent Assay , Immunohistochemistry , Lung Neoplasms/pathology , Lung/chemistry , Lung/pathology , Neoplasm Staging , Reproducibility of Results , Risk Factors , Sensitivity and Specificity , Statistics, Nonparametric , Smoking/adverse effects , Stromal Cells/chemistry , Stromal Cells/pathology
3.
Braz J Med Biol Res ; 48(6): 557-67, 2015 Jun.
Article in English | MEDLINE | ID: mdl-25992645

ABSTRACT

Hyaluronan (HA) shows promise for detecting cancerous change in pleural effusion and urine. However, there is uncertainty about the localization of HA in tumor tissue and its relationship with different histological types and other components of the extracellular matrix, such as angiogenesis. We evaluated the association between HA and degree of malignancy through expression in lung tumor tissue and sputum. Tumoral tissue had significantly increased HA compared to normal tissue. Strong HA staining intensity associated with cancer cells was significant in squamous cell carcinoma compared to adenocarcinoma and large cell carcinoma. A significant direct association was found between tumors with a high percentage of HA and MVD (microvessel density) in tumoral stroma. Similarly significant was the direct association between N1 tumors and high levels of HA in cancer cells. Cox multivariate analysis showed significant association between better survival and low HA. HA increased in sputum from lung cancer patients compared to cancer-free and healthy volunteers and a significant correlation was found between HA in sputum and HA in cancer tissue. Localization of HA in tumor tissue was related to malignancy and reflected in sputum, making this an emerging factor for an important diagnostic procedure in patients suspected to have lung cancer. Further study in additional patients in a randomized prospective trial is required to finalize these results and to validate our quantitative assessment of HA, as well as to couple it to gold standard sputum cytology.


Subject(s)
Carcinoma/chemistry , Hyaluronic Acid/analysis , Lung Neoplasms/chemistry , Sputum/chemistry , Adult , Aged , Aged, 80 and over , Biomarkers, Tumor/analysis , Biopsy , Carcinoma/pathology , Case-Control Studies , Enzyme-Linked Immunosorbent Assay , Female , Humans , Immunohistochemistry , Lung/chemistry , Lung/pathology , Lung Neoplasms/pathology , Male , Middle Aged , Neoplasm Staging , Reproducibility of Results , Risk Factors , Sensitivity and Specificity , Smoking/adverse effects , Statistics, Nonparametric , Stromal Cells/chemistry , Stromal Cells/pathology
4.
Genet Mol Res ; 12(4): 4459-67, 2013 Oct 10.
Article in English | MEDLINE | ID: mdl-24222225

ABSTRACT

Period-3 oscillations in genome composition can be detected through correlation functions. Since these oscillations are closely related to the genetic code structure, we developed methods for quantitative comparison of genomic and exonic oscillation amplitudes and decay. In contrast to genomic correlations, exonic period-3 oscillation amplitudes are persistent. A model postulating an uncorrelated distribution of exons in the genome has been applied to the analysis of Escherichia coli K12, Saccharomyces cerevisiae, Caenorhabditis elegans, Drosophila melanogaster, and Homo sapiens genomic decay, allowing for a quantitative discussion of genome organization.


Subject(s)
Exons , Models, Genetic , Algorithms , Animals , Caenorhabditis elegans/genetics , Drosophila melanogaster/genetics , Escherichia coli K12/genetics , Genetic Code , Genome, Bacterial , Genome, Fungal , Genome, Helminth , Genome, Human , Genome, Insect , Humans , Saccharomyces cerevisiae/genetics , Sequence Analysis, DNA
5.
Genet Mol Res ; 10(3): 1393-402, 2011.
Article in English | MEDLINE | ID: mdl-21823088

ABSTRACT

The chelonians are, in general, important for the economy of the traditional populations of the Amazon region, especially as a source of animal protein. Furthermore, sub-products, such as eggs and fat, are utilized in the manufacture of cosmetics, and the plastron and carapace are used in the manufacture of adornments. The freshwater turtle species Podocnemis sextuberculata, locally known as "iaçá" or "pitiú", is widely distributed in the Amazon Basin in Brazil and also in Colombia and Peru. This species is on the International Union for Conservation of Nature Red List in the category of vulnerable species. We examined the genetic variability and population structure of three populations represented by 64 individuals sampled from Reserva Federal de Abufari, Tapauá, Amazonas State; Reserva de Desenvolvimento Sustentável Mamirauá, Tefé, Amazonas State, and Terra Santa, Pará State. All of these are over 1000 km from each other. A partial 415-bp sequence of the mitochondrial gene ND1 was utilized as a molecular marker. Seven haplotypes were observed; the most common haplotype was shared by all the areas sampled, while the rarest haplotypes were represented by a single individual and were thus restricted to a single locality. The sharing of the most common haplotype, the high number of migrants (Nm) and the AMOVA results indicate a lack of genetic structure among the sampling localities. The levels of genetic variability observed were homogeneous among the sampling localities. These results (Ó¨(ST) and Nm) are compatible with what is known about the ecology of this species, which has a great migratory capacity.


Subject(s)
Genetics, Population/methods , Animals , Brazil , Colombia , DNA, Mitochondrial/genetics , Haplotypes/genetics , Peru , Turtles/classification , Turtles/genetics
6.
Anim Genet ; 39(5): 480-5, 2008 Oct.
Article in English | MEDLINE | ID: mdl-18637878

ABSTRACT

A population of 1398 Canchim (CA) cattle was genotyped to assess the association of an insulin-like growth factor 1 (IGF1) gene microsatellite with phenotypic variation and estimated breeding values of pre-weaning, weaning and post-weaning growth traits. After an initial analysis, the IGF1 genotype only had a significant effect (P < 0.05) on birth weight (BW) and weaning weight adjusted to 240 days (WW240). For these two traits, direct and maternal breeding values were estimated using the restricted maximum likelihood (reml). Two analyses were carried out. In the first (Model I), all fixed effects were fitted. In the second (Model II), the fixed effect of the IGF1 genotype was omitted. The estimated genetic and phenotypic components of variance were similar for every trait in both models. For Model I, estimated direct and maternal heritabilities were 0.26 and 0.16 for BW and 0.23 and 0.14 for WW240 respectively. The genetic and phenotypic correlations between BW and WW240 were 0.38 and 0.38 (Model I) and 0.19 and 0.38 (Model II) respectively. Fifty animals were classified according to their direct and maternal breeding values for both traits. Spearman rank-order correlation between animal rankings in the two models was used to assess the effect of including the IGF1 genotype in the model. Non-significant values from this correlation were indicative of a difference in breeding value rankings between the two approaches. The IGF1 gene was found to be associated with phenotypic variation and breeding values in the early phase of growth.


Subject(s)
Cattle/growth & development , Cattle/genetics , Insulin-Like Growth Factor I/genetics , Microsatellite Repeats , Animals , Breeding , Female , Male
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