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1.
Br Poult Sci ; 64(1): 110-115, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-35984308

RESUMO

1. The study was carried out to determine the effects of supplementing organic (OG) or inorganic (IOG) Se to record the performance, immune and anti-oxidant response in broiler chickens.2. One-day-old Vencobb-400 (50.1 ± 0.84 g; n = 280) male broiler chicks were allocated randomly into seven treatments to give eight replicates containing five chicks each and housed in deep littered floor pens (76 cm × 91 cm) for a period of 42 d.3. The control diet (CD) was formulated without any Se supplementation (diet I), CD plus 0.15, 0.30 or 0.45 mg/kg OG Se (diets II, III and IV, respectively) and CD plus 0.15, 0.30 or 0.45 mg/kg IOG Se (diets V, VI and VII, respectively).4. Feed intake (FI), body weight gain (BWG), immune variables and mRNA expression profile of hepatic selenoproteins (SepW, GSHPx1, TrxR and GSHPx3) genes were determined. The BWG, FI and feed conversion ratio did not differ among various dietary treatments.5. The lipid peroxidation and activity of RBC catalase were lower (P < 0.05) in groups fed diets supplemented OG Se compared to those fed IOG Se and CD. The activity of GSH Px was higher among the groups fed diet supplemented OG Se compared to those groups fed OG Se and CD. However, supplementing diets with OG or IOG Se did not affect humoral or cell mediated immune responses.6. The expression levels of SepW were higher (P < 0.01) among the groups supplemented with OG Se. Expression levels of GSH-Px1, TrxR and GSHPx3 were higher (P < 0.01) among the groups supplemented with OG Se compared to those groups fed IOG Se or CD.7. Supplementing OG Se improved the activities of anti-oxidant enzymes and hepatic expression of selenoproteins genes in the present study. However, supplementing OG or IOG Se did not affect growth performance and immune variables in broiler chickens.


Assuntos
Antioxidantes , Galinhas , Masculino , Animais , Suplementos Nutricionais , Ingestão de Alimentos
2.
J Environ Manage ; 324: 116297, 2022 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-36174475

RESUMO

Pongamia pinnata (L.) Pierre (Pongamia) is a tree native to Southeast Asia. Recently, interest in Pongamia focused on its potential as a biofuel source as its seeds contain around 40% oil. However, Pongamia has multiple applications beyond biofuel production. It is a legume, can form symbiotic associations with mycorrhizal fungi, has been shown to be tolerant to drought, salinity, and heavy metals in soil, and has potential to mitigate climate change. Additionally, Pongamia oil has medicinal properties, can be used as biopesticide, insect repellent, to produce soap, and as a source of edible grade vegetable oil. The seed cake can be used as a source of bioenergy, food and feed protein, and organic fertiliser, and the flowers are a good source of pollen and nectar. Pongamia can also bring socio-economic benefits as its ability to restore degraded and contaminated land provides opportunities for local communities through novel valorisation pathways. These multiple applications have potential to form part of a circular bioeconomy in line with sustainable development goals. Although research on the multiple applications of Pongamia has grown considerably, knowledge gaps remain and these need to be addressed so that the full potential of Pongamia can be achieved. Further understanding of the mechanisms underlying its resilience to abiotic stresses, phytoremediation potential and biotic interactions should be a priority, and co-ordinated breeding efforts will be key. Here, we critically review the available literature on Pongamia and highlight gaps in knowledge in which future research should focus on to ensure that the full potential of this versatile tree can be achieved. We conclude that Pongamia can potentially form part of a circular bioeconomy and that harnessing the multiple applications of Pongamia in a holistic manner, with collaboration among key stakeholders, is crucial for the successful application of its benefits far beyond biofuel production.


Assuntos
Millettia , Pongamia , Millettia/metabolismo , Sequestro de Carbono , Biocombustíveis , Melhoramento Vegetal , Árvores/metabolismo , Fatores Socioeconômicos
3.
Toxicol Rep ; 5: 173-182, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-29387565

RESUMO

The concentration of some heavy metals: Al, Ca, K, Fe, Ti, Mg, Mn, V, Cr, Zn, Ni and Co in sediments from Pulicat Lake to Vadanemmeli along Chennai Coast, Tamil Nadu has been determined using EDXRF technique. The mean concentrations of Mg, Al, K, Ca, Ti, Fe, V, Cr, Mn, Co, Ni, and Zn were found to be 1918, 25436, 9832, 9859, 2109, 8209, 41.58, 34.14, 160.80, 2.85. 18.79 and 29.12 mg kg-1 respectively. These mean concentrations do not exceed the world crustal average. The level of pollution attributed to heavy metals was evaluated using several pollution indicators in order to determine anthropogenically derived contaminations. Enrichment Factor (EF), Geoaccumulation Index (Igeo), Contamination Factor (CF) and Pollution Load Index (PLI) were used in evaluating the contamination status of sediments. Enrichment Factors (EF) reveal the anthropogenic sources of V, Cr, Ni and Zn Geoaccumulation Index (Igeo) results reveal that the study area is not contaminated by the heavy metals. Similar results were also obtained by using pollution load index (PLI). The results of pollution indices indicates that most of the locations were not polluted by heavy metals. Multivariate statistical analysis performed using principal components and clustering techniques were used to identify the source of the heavy metals. The result of statistical procedures indicate that heavy metals in sediments are mainly of natural origin. This study provides a relatively novel technique for identifying and mapping the distribution of metal pollutants and their sources in sediment.

4.
Environ Monit Assess ; 189(8): 399, 2017 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-28718095

RESUMO

A study was carried out to investigate the changes in the physicochemical and biological properties of sub-soil river water upon its storage in a man-made reservoir. Palar sub-soil and reservoir water samples were collated fortnightly for a period of 5 years (2010-2014). The open reservoir is used as a reliable raw water source for condenser cooling systems and for the demineralizing (DM) plant input of Fast Breeder Test Reactor (FBTR), Madras Atomic Power Station (MAPS), and other laboratories at Kalpakkam, southeast coast of India. Relatively high nutrient concentration was observed in the Palar sub-soil water, and a significant reduction in average concentration (µmol l-1) of phosphate (Palar 1.92; open reservoir 1.54) and nitrate (Palar 9.78; open reservoir 5.67) was observed from Palar to open reservoir. Substantial increase in pH (Palar 8.05; open reservoir 8.45), dissolved oxygen (mg l-1) (Palar 6.07; open reservoir 8.47), and chlorophyll-a (mg m-3) (Palar 1.66; open reservoir 8.43) values were noticed from the Palar sub-soil water to open reservoir water. It is concluded that sub-soil water with higher nutrient concentrations when stored openly, exposing to the sun, resulted in growth of plants, planktonic, and macrophytes, which led to substantial deterioration in water quality from its utility point of view as a condenser cooling medium and raw water input for DM plant.


Assuntos
Monitoramento Ambiental/métodos , Rios/química , Clorofila/análogos & derivados , Clorofila A , Água Doce/química , Índia , Solo , Água , Poluentes da Água/análise , Qualidade da Água , Abastecimento de Água
5.
Mar Pollut Bull ; 121(1-2): 418-424, 2017 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-28633945

RESUMO

The aim of this study was to determine the concentration of heavy metals in the sediments of Periyakalapet to Parangipettai coast, east coast of Tamil Nadu, by using energy-dispersive X-ray fluorescence (EDXRF) technique. The average heavy metal concentrations in the sediment samples were found in the order Al>Fe>Ca>Ti>K>Mg>Mn>Ba>V>Cr>Zn>La>Ni>Pb>Co>Cd>Cu. The average heavy metal concentrations were below the world crustal average. The degree of contamination by heavy metals was evaluated using pollution indices. The results of pollution indices revealed that titanium (Ti) and cadmium (Cd) were significantly enriched in sediments. Pearson correlation analysis was performed among heavy metal concentrations to know the existing relationship between them. Multivariate statistical technique was employed to identify the heavy metal pollution sources.


Assuntos
Metais Pesados/análise , Poluentes Químicos da Água/análise , Monitoramento Ambiental , Sedimentos Geológicos , Índia
6.
J Investig Clin Dent ; 7(2): 174-9, 2016 May.
Artigo em Inglês | MEDLINE | ID: mdl-25388853

RESUMO

AIM: A highly-regulated form of programmed cell death is apoptosis, and its perturbation has been associated with periodontal disease. Caspase-3 is one of the key executioners of apoptosis. The present study was designed to evaluate and correlate the levels of caspase-3 in gingival crevicular fluid (GCF) and serum in participants with clinically-healthy periodontium, gingivitis, and chronic periodontitis (CP). METHODS: Forty-four sex- and age-matched participants were enrolled into three groups based on clinical parameters. Group 1 participants had clinically-healthy periodontium, group 2 participants had gingivitis, and group 3 participants had CP. GCF and serum samples were collected to evaluate the levels of caspase-3. RESULTS: The mean caspase-3 concentration in GCF and serum was highest in group 3, followed by group 2, and was significantly correlated with gingival index, probing depth (PD), and clinical attachment level (CAL). CONCLUSION: GCF and the serum concentration of caspase-3 proportionally increases with the progression of periodontal disease, that is, gingival inflammation, PD, and CAL.


Assuntos
Apoptose , Caspase 3/fisiologia , Líquido do Sulco Gengival , Gengivite/enzimologia , Humanos , Perda da Inserção Periodontal , Índice Periodontal , Bolsa Periodontal , Periodontite
7.
Springerplus ; 4: 775, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-26697285

RESUMO

Ultrasound medical (US) imaging non-invasively pictures inside of a human body for disease diagnostics. Speckle noise attacks ultrasound images degrading their visual quality. A twofold processing algorithm is proposed in this work to reduce this multiplicative speckle noise. First fold used block based thresholding, both hard (BHT) and soft (BST), on pixels in wavelet domain with 8, 16, 32 and 64 non-overlapping block sizes. This first fold process is a better denoising method for reducing speckle and also inducing object of interest blurring. The second fold process initiates to restore object boundaries and texture with adaptive wavelet fusion. The degraded object restoration in block thresholded US image is carried through wavelet coefficient fusion of object in original US mage and block thresholded US image. Fusion rules and wavelet decomposition levels are made adaptive for each block using gradient histograms with normalized differential mean (NDF) to introduce highest level of contrast between the denoised pixels and the object pixels in the resultant image. Thus the proposed twofold methods are named as adaptive NDF block fusion with hard and soft thresholding (ANBF-HT and ANBF-ST). The results indicate visual quality improvement to an interesting level with the proposed twofold processing, where the first fold removes noise and second fold restores object properties. Peak signal to noise ratio (PSNR), normalized cross correlation coefficient (NCC), edge strength (ES), image quality Index (IQI) and structural similarity index (SSIM), measure the quantitative quality of the twofold processing technique. Validation of the proposed method is done by comparing with anisotropic diffusion (AD), total variational filtering (TVF) and empirical mode decomposition (EMD) for enhancement of US images. The US images are provided by AMMA hospital radiology labs at Vijayawada, India.

8.
Appl Radiat Isot ; 102: 42-47, 2015 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-25956221

RESUMO

The study of heavy metal pollution in coastal sediments assumes importance with respect to environmental ecology in view of the rapid industrialization and increased anthropogenic activities. The concentrations of Mg, Al, K, Ca, Ti, Fe, V, Cr, Mn, Co, Ni and Zn were measured in twenty sampling sites along the east coast of Tamilnadu, India by energy dispersive X-ray fluorescence spectroscopy (EDXRF). Natural background values were used to delineate their origin as geogenic or anthropogenic. To interpret and assess the contamination status for heavy metals in sediments, four metal pollution indices used such as an enrichment factor, a geo-accumulation index, a contamination factor and a pollution load index. Multivariate statistical methods were applied to identify the source of heavy metals. Heavy metal toxicity risk was assessed using sediment quality guidelines. The presented methodology was used to determine the anthropogenic origin of heavy metals in the sediment.

9.
Elife ; 42015 Apr 23.
Artigo em Inglês | MEDLINE | ID: mdl-25905673

RESUMO

Tissue microenvironment functions as an important determinant of the inflammatory response elicited by the resident cells. Yet, the underlying molecular mechanisms remain obscure. Our systems-level analyses identified a duration code that instructs stimulus specific crosstalk between TLR4-activated canonical NF-κB pathway and lymphotoxin-ß receptor (LTßR) induced non-canonical NF-κB signaling. Indeed, LTßR costimulation synergistically enhanced the late RelA/NF-κB response to TLR4 prolonging NF-κB target gene-expressions. Concomitant LTßR signal targeted TLR4-induced newly synthesized p100, encoded by Nfkb2, for processing into p52 that not only neutralized p100 mediated inhibitions, but potently generated RelA:p52/NF-κB activity in a positive feedback loop. Finally, Nfkb2 connected lymphotoxin signal within the intestinal niche in reinforcing epithelial innate inflammatory RelA/NF-κB response to Citrobacter rodentium infection, while Nfkb2(-/-) mice succumbed to gut infections owing to stromal defects. In sum, our results suggest that signal integration via the pleiotropic NF-κB system enables tissue microenvironment derived cues in calibrating physiological responses.


Assuntos
Citrobacter rodentium/imunologia , Infecções por Enterobacteriaceae/imunologia , Imunidade Inata/genética , Inflamação/genética , NF-kappa B/genética , Transdução de Sinais/genética , Animais , Citrobacter rodentium/patogenicidade , Regulação da Expressão Gênica/imunologia , Mucosa Intestinal/imunologia , Mucosa Intestinal/microbiologia , Receptor beta de Linfotoxina/genética , Receptor beta de Linfotoxina/imunologia , Camundongos , Camundongos Endogâmicos C57BL , Camundongos Knockout , NF-kappa B/imunologia , Subunidade p52 de NF-kappa B/deficiência , Subunidade p52 de NF-kappa B/genética , Fator de Transcrição RelA/genética , Fator de Transcrição RelA/imunologia
10.
Spectrochim Acta A Mol Biomol Spectrosc ; 148: 163-74, 2015 Sep 05.
Artigo em Inglês | MEDLINE | ID: mdl-25879986

RESUMO

In the present study, the FT-IR and FT-Raman spectra of 2-chloro-3-quinolinecarboxaldehyde (2Cl3QC) have been recorded in the region 4000-400 and 3500-50 cm(-1), respectively. The fundamental modes of vibrational frequencies of 2Cl3QC are assigned. Theoretical information on the optimized geometry, harmonic vibrational frequencies, infrared and Raman intensities were obtained by means of density functional theory (DFT) gradient calculations with complete relaxation in the potential energy surface using 6-31G(d,p) basis set. The vibrational frequencies which were determined experimentally from the spectral data are compared with those obtained theoretically from DFT calculations. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors. The infrared and Raman spectra were also predicted from the calculated intensities. Thermodynamic properties like entropy, heat capacity, zero point energy, have been calculated for the molecule. The predicted first hyperpolarizability also shows that the molecule might have a reasonably good non-linear optical (NLO) behavior. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. Stability of the molecule arising from hyper conjugative interactions, charge delocalization have been analyzed using natural bond orbitals (NBO) analysis. The results show that charge in electron density (ED) in the π(∗) antibonding orbitals and E((2)) energies confirms the occurrence of ICT (intra-molecular charge transfer) within the molecule. UV-visible spectrum of the title molecule has also been calculated using TD-DFT/CAM-B3LYP/6-31G(d,p) method. The calculated energy and oscillator strength almost exactly reproduces reported experimental data.


Assuntos
Aldeídos/química , Quinolinas/química , Halogenação , Modelos Moleculares , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Análise Espectral Raman , Termodinâmica
11.
Spectrochim Acta A Mol Biomol Spectrosc ; 137: 589-600, 2015 Feb 25.
Artigo em Inglês | MEDLINE | ID: mdl-25240831

RESUMO

Anthropogenic activities increase the accumulation of heavy metals in the soil environment. Soil pollution significantly reduces environmental quality and affects the human health. In the present study soil samples were collected at different locations of Yelagiri Hills, Tamilnadu, India for heavy metal analysis. The samples were analyzed for twelve selected heavy metals (Mg, Al, K, Ca, Ti, Fe, V, Cr, Mn, Co, Ni and Zn) using energy dispersive X-ray fluorescence (EDXRF) spectroscopy. Heavy metals concentration in soil were investigated using enrichment factor (EF), geo-accumulation index (Igeo), contamination factor (CF) and pollution load index (PLI) to determine metal accumulation, distribution and its pollution status. Heavy metal toxicity risk was assessed using soil quality guidelines (SQGs) given by target and intervention values of Dutch soil standards. The concentration of Ni, Co, Zn, Cr, Mn, Fe, Ti, K, Al, Mg were mainly controlled by natural sources. Multivariate statistical methods such as correlation matrix, principal component analysis and cluster analysis were applied for the identification of heavy metal sources (anthropogenic/natural origin). Geo-statistical methods such as kirging identified hot spots of metal contamination in road areas influenced mainly by presence of natural rocks.


Assuntos
Metais Pesados/análise , Poluentes do Solo/análise , Espectrometria por Raios X/métodos , Análise por Conglomerados , Monitoramento Ambiental/métodos , Intoxicação por Metais Pesados , Humanos , Índia , Análise Multivariada , Intoxicação , Análise de Componente Principal , Solo/química , Análise Espacial
12.
Nat Commun ; 5: 3983, 2014 Jun 02.
Artigo em Inglês | MEDLINE | ID: mdl-24886709

RESUMO

Dyslipidemia and obesity are especially prevalent in populations with Amerindian backgrounds, such as Mexican-Americans, which predispose these populations to cardiovascular disease. Here we design an approach, known as the cross-population allele screen (CPAS), which we conduct prior to a genome-wide association study (GWAS) in 19,273 Europeans and Mexicans, in order to identify Amerindian risk genes in Mexicans. Utilizing CPAS to restrict the GWAS input variants to only those differing in frequency between the two populations, we identify novel Amerindian lipid genes, receptor-related orphan receptor alpha (RORA) and salt-inducible kinase 3 (SIK3), and three loci previously unassociated with dyslipidemia or obesity. We also detect lipoprotein lipase (LPL) and apolipoprotein A5 (APOA5) harbouring specific Amerindian signatures of risk variants and haplotypes. Notably, we observe that SIK3 and one novel lipid locus underwent positive selection in Mexicans. Furthermore, after a high-fat meal, the SIK3 risk variant carriers display high triglyceride levels. These findings suggest that Amerindian-specific genetic architecture leads to a higher incidence of dyslipidemia and obesity in modern Mexicans.


Assuntos
Hipercolesterolemia/genética , Hipertrigliceridemia/genética , Indígenas Norte-Americanos/genética , Obesidade/genética , Adulto , Apolipoproteína A-V , Apolipoproteínas A/genética , Estudos de Casos e Controles , Cromossomos Humanos Par 11/genética , Cromossomos Humanos Par 8/genética , Dislipidemias/genética , Feminino , Predisposição Genética para Doença , Estudo de Associação Genômica Ampla , Genótipo , Haplótipos , Humanos , Lipase Lipoproteica/genética , Modelos Logísticos , Masculino , México/etnologia , Pessoa de Meia-Idade , Membro 1 do Grupo F da Subfamília 1 de Receptores Nucleares/genética , Polimorfismo de Nucleotídeo Único , Proteínas Quinases/genética , População Branca/genética , Adulto Jovem
13.
Artigo em Inglês | MEDLINE | ID: mdl-24287055

RESUMO

Analytical investigations using Fourier Transform infrared spectroscopy (FT-IR), Powder X-ray Diffraction (PXRD), Thermal Analysis (TG-DTA), Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Fluorescence Spectrometry (EDXRF) were carried out on ancient pottery fragments from Kaveripakkam, in order to outline manufacturing skills, technology information, firing condition and temperature of potteries. The whole set of data showed the firing temperature in the range of 800-900°C. The analytical characterization of the potsherds, by different complimentary techniques has allowed to identifying the raw materials and technology applied by the ancient artisans.


Assuntos
Cerâmica/análise , Cerâmica/química , Análise Espectral/métodos , Análise Diferencial Térmica , História Antiga , Índia , Microscopia Eletrônica de Varredura , Minerais/análise , Pós , Espectrometria por Raios X , Espectroscopia de Infravermelho com Transformada de Fourier , Temperatura , Termogravimetria , Fatores de Tempo , Vibração , Difração de Raios X
14.
Artigo em Inglês | MEDLINE | ID: mdl-23892348

RESUMO

Analytical characterization of megalithic sarcophagi potsherds from Veeranam, Tiruvannamalai dist., Tamilnadu has been performed using Fourier transform infrared spectroscopy (FTIR), Powder X-ray diffraction (PXRD), Thermal analysis (TG-DTA), Scanning Electron Microscopy (SEM) coupled with an energy-dispersive X-ray spectrometer (EDX) and Energy dispersive X-ray fluorescence spectrometry (EDXRF). The EDXRF data of the potsherds were processed using multivariate statistical methods. Principal Component Analysis (PCA) and hierarchical cluster analysis allow us to identify grouping and structure in the data. The analytical results achieved in this study allowed us to estimate the firing temperature and manufacturing techniques. The methodological approach was successfully applied to the mineralogical, chemical and thermal characterization of the potsherds.


Assuntos
Silicatos de Alumínio/análise , Arqueologia , Argila , Análise por Conglomerados , Análise Diferencial Térmica , Índia , Microscopia Eletrônica de Varredura , Minerais/análise , Pós , Análise de Componente Principal , Espectrometria por Raios X , Espectroscopia de Infravermelho com Transformada de Fourier , Temperatura , Termogravimetria , Difração de Raios X
15.
J Med Genet ; 50(5): 298-308, 2013 May.
Artigo em Inglês | MEDLINE | ID: mdl-23505323

RESUMO

BACKGROUND: The Mexican population and others with Amerindian heritage exhibit a substantial predisposition to dyslipidemias and coronary heart disease. Yet, these populations remain underinvestigated by genomic studies, and to date, no genome-wide association (GWA) studies have been reported for lipids in these rapidly expanding populations. METHODS AND FINDINGS: We performed a two-stage GWA study for hypertriglyceridemia and low high-density lipoprotein cholesterol (HDL-C) in Mexicans (n=4361), and identified a novel Mexican-specific genome-wide significant locus for serum triglycerides (TGs) near the Niemann-Pick type C1 protein gene (p=2.43×10(-08)). Furthermore, three European loci for TGs (APOA5, GCKR and LPL), and four loci for HDL-C (ABCA1, CETP, LIPC and LOC55908) reached genome-wide significance in Mexicans. We used cross-ethnic mapping to narrow three European TG GWA loci, APOA5, MLXIPL, and CILP2 that were wide and contained multiple candidate variants in the European scan. At the APOA5 locus, this reduced the most likely susceptibility variants to one, rs964184. Importantly, our functional analysis demonstrated a direct link between rs964184 and postprandial serum apoAV protein levels, supporting rs964184 as the causative variant underlying the European and Mexican GWA signal. Overall, 52 of the 100 reported associations from European lipid GWA meta-analysis generalised to Mexicans. However, in 82 of the 100 European GWA loci, a different variant other than the European lead/best-proxy variant had the strongest regional evidence of association in Mexicans. CONCLUSIONS: This first Mexican GWA study of lipids identified a novel GWA locus for high TG levels; used the interpopulation heterogeneity to significantly restrict three previously known European GWA signals, and surveyed whether the European lipid GWA SNPs extend to the Mexican population.


Assuntos
Apolipoproteínas A/genética , Loci Gênicos/genética , Hipertrigliceridemia/genética , Hipoalfalipoproteinemias/genética , Indígenas Norte-Americanos/genética , Triglicerídeos/genética , Apolipoproteína A-V , Apolipoproteínas A/sangue , Estudo de Associação Genômica Ampla , Genótipo , Humanos , Hipertrigliceridemia/etnologia , Hipoalfalipoproteinemias/etnologia , Desequilíbrio de Ligação , Proteínas de Membrana/genética , Proteínas de Membrana Transportadoras , México , Polimorfismo de Nucleotídeo Único/genética , Triglicerídeos/sangue , População Branca/genética
16.
Artigo em Inglês | MEDLINE | ID: mdl-23022613

RESUMO

The FT-IR and FT-Raman spectra of 5-amino-1-(4-bromophenyl)-3-phenyl-1-H-pyrazole have been measured in the regions 4000-400 cm(-1) and 3500-100 cm(-1), respectively. The equilibrium geometry, bonding features and harmonic vibrational frequencies have been carried out with the help of DFT method. The assignments of the vibrational spectra have been carried out with the normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMFF). The first-order hyperpolarizability (ß(0)) and related properties (µ, α(0), and Δα) of 5A4BP3PP are calculated by using HF/6-31G(d,p) method on the finite field approach. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bonding orbital (NBO) analysis. The results show that electron density (ED) in the σ(*) and π(*) antibonding orbitals and second order delocalization energies E(2) confirms the occurrence of the intramolecular charge transfer (ICT) within the molecule. UV-vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were performed by TDDFT using 6-31G(d,p). The HOMO-LUMO calculations indicating the charge transfer takes place within the molecule.


Assuntos
Pirazóis/química , Aminas/química , Derivados de Benzeno/química , Halogenação , Modelos Moleculares , Conformação Molecular , Teoria Quântica , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Análise Espectral Raman
17.
Dis Markers ; 33(4): 207-13, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-22960346

RESUMO

BACKGROUND: Obesity is considered as a strong risk factor of inflammatory periodontal tissue destruction. The purpose of this study is to determine presence of progranulin (PGRN) and high sensitivity C reactive protein (hs CRP) levels in serum and gingival crevicular fluid (GCF) in obese subjects with chronic periodontitis and to find an association, if any. MATERIAL AND METHODS: 40 subjects (20 males and 20 females) were selected based on their clinical parameters into four groups (10 subjects in each group): group 1 (healthy non obese), group 2 (healthy obese), group 3 (non obese with chronic periodontitis) and group 4 (obese with chronic periodontitis). Serum and GCF PGRN levels were estimated by enzyme linked immunosorbant assay (ELISA) and hs CRP levels were estimated by immunoturbidimetry method. RESULTS: The mean PGRN and hs CRP concentration both in serum and GCF were highest for group 4 followed by group 3, group 2 and least in Group 1. CONCLUSION: PGRN and hs CRP may be novel biomarkers of the chronic inflammatory response in obesity and chronic periodontitis.


Assuntos
Proteína C-Reativa/análise , Periodontite Crônica/metabolismo , Peptídeos e Proteínas de Sinalização Intercelular/análise , Obesidade/metabolismo , Adulto , Estudos de Casos e Controles , Periodontite Crônica/complicações , Periodontite Crônica/diagnóstico , Feminino , Líquido do Sulco Gengival/química , Humanos , Peptídeos e Proteínas de Sinalização Intercelular/sangue , Masculino , Obesidade/sangue , Obesidade/complicações , Progranulinas
18.
Artigo em Inglês | MEDLINE | ID: mdl-22892370

RESUMO

The vibrational and electronic spectra of 3-cyano-4-methylcoumarin (3C4MC) are reported and discussed. In this work the structural properties, vibrational frequencies and electronic spectra of 3C4MC have been investigated extensively using density functional theory (DFT) employing B3LYP exchange correlation with the normal basis level 6-31G(d,p). NBO and HOMO, LUMO analysis has been carried out. The geometries and normal modes of vibrations obtained from B3LYP calculations are in good agreement with the experimentally observed data.


Assuntos
Cumarínicos/química , Modelos Moleculares , Teoria Quântica , Análise Espectral Raman , Absorção , Simulação por Computador , Elétrons , Conformação Molecular , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Eletricidade Estática , Vibração
19.
Artigo em Inglês | MEDLINE | ID: mdl-22579332

RESUMO

The vibrational and electronic properties of 5-Acetyluracil have been investigated in the ground state using experimental techniques (FT-IR, FT-Raman and UV spectra) and density functional theory (DFT) employing B3LYP exchange correlation with the 6-31G(d,p) basis set. The theoretically calculated optimized parameters, vibrational frequencies, etc., were compared with the experimental values, which yield good agreement between the observed and calculated values. The complete assignments of fundamental modes were performed on the basis of the potential energy distribution (PED). UV-vis spectrum of the compound was recorded in the region of 300-700 nm and compared with the theoretical spectrum obtained from time-dependent DFT(TD-DFT). Fluorescence microscopic imaging studies proved that the compound can be used as one of the potential light sources in the green region.


Assuntos
Elétrons , Modelos Teóricos , Análise Espectral Raman , Uracila/análogos & derivados , Uracila/química , Vibração , Simulação por Computador , Cinética , Modelos Moleculares , Conformação Molecular , Dinâmica não Linear , Espectrometria de Fluorescência , Espectrofotometria Ultravioleta , Espectroscopia de Infravermelho com Transformada de Fourier , Eletricidade Estática , Propriedades de Superfície , Termodinâmica
20.
Curr Top Med Chem ; 12(9): 994-1007, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-22352862

RESUMO

The role of free radical-mediated reactions in human neuropathology continues to attract significant interest. Oxidative injury produced by free radicals may play a role in the initiation and progression of epilepsy and, therapies aimed at reducing oxidative stress may ameliorate tissue damage and favorably alter the clinical course. The prevalence of epilepsy increases with age, and mitochondrial oxidative stress is a leading mechanism of aging and age-related degenerative disease, signifying a further involvement of mitochondrial dysfunction in seizure generation. Oxidative stress occurs when the generation of reactive oxygen species in a system exceeds the body's ability to neutralize and eliminate them, thus creating an imbalance or over abundance of free radicals. Therefore, it is imperative to maintain oxidative balance and control in the brain, and this is tightly regulated by antioxidants. In the last two decades, there has been an explosive interest in the role of antioxidants or neuroprotectants in clinical as well as experimental models of epilepsy. In this regard, the present review is intended to discuss the current state of knowledge pertaining to neuroprotection in epileptic conditions by employing diverse chemical agents including conventional as well as novel anti-epileptic drugs, and to highlight the efficacy of distinct neuroprotective strategies for preventing or treating epilepsy.


Assuntos
Anticonvulsivantes/farmacologia , Anticonvulsivantes/uso terapêutico , Epilepsia/tratamento farmacológico , Estresse Oxidativo/efeitos dos fármacos , Animais , Anticonvulsivantes/química , Epilepsia/metabolismo , Epilepsia/prevenção & controle , Radicais Livres/metabolismo , Humanos
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