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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 302: 123074, 2023 Dec 05.
Artigo em Inglês | MEDLINE | ID: mdl-37418904

RESUMO

Density functional theory (DFT) calculation was used to analyse the structural and vibrational properties of Methyl 1-Methyl-4-nitro-pyrrole-2-carboxylate (MMNPC) using the cc-pVTZ basis set. The potential energy surface scan and the most stable molecular structure were optimized using Gaussian 09 program. A potential energy distribution calculation was used to calculate and assign vibrational frequencies using the VEDA 4.0 program package. The Frontier Molecular Orbitals (FMOs) were analysed to determine their related molecular properties. Ab initio density functional theory (B3LYP/cc-pVTZ) method with basis set was used to calculate 13C NMR chemical shift values of MMNPC in the ground state. Fukui function and molecular electrostatic potential (MEP) analysis confirmed the bioactivity of the MMNPC molecule. The charge delocalization and stability of the title compound were studied using natural bond orbital analysis. All experimental spectral values from FT-IR, FT-Raman, UV-VIS, and 13C NMR are in good agreement with the value calculated by the DFT. Molecular docking analysis was carried out to find the MMNPC compound that can be used as a potential drug development candidate for ovarian cancer.


Assuntos
Neoplasias Ovarianas , Análise Espectral Raman , Feminino , Humanos , Simulação de Acoplamento Molecular , Espectroscopia de Infravermelho com Transformada de Fourier , Teoria Quântica , Espectrofotometria Ultravioleta
2.
Nat Prod Res ; 37(4): 681-686, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-35608174

RESUMO

In this contribution, ethanolic extracts of Cuminum cyminum (C. cyminum) seeds were evaluated in terms of phytochemical content, total phenol and flavonoid contents. As far as the analytical techniques are concerned, UV-Vis, FTIR, HPLC, NMR (1H and 13C) and ESI-MS were performed. The binding capacity of five different antidiabetic enzymes was tested by in silico molecular docking studies. The HPLC, UV-Vis, FTIR, NMR and ESI-MS data highlighted the presence of seven biologically active molecules e.g. α-pinene, ß-pinene, Δ3-carene, ρ-cymene, α-terpineol, cuminaldehyde and linalool. The results coming from the in silico molecular docking studies showed that such phytochemicals present in the cumin seed extracts play an important role in the activity of key enzymes involved in carbohydrate metabolism. Therefore, C. cyminum is proven to be useful for the treatment of diabetes mellitus and its major secondary complications.


Assuntos
Cuminum , Hipoglicemiantes , Hipoglicemiantes/farmacologia , Hipoglicemiantes/análise , Cuminum/química , Simulação de Acoplamento Molecular , Compostos Fitoquímicos/farmacologia , Compostos Fitoquímicos/análise , Extratos Vegetais/química , Sementes/química
3.
Sci Rep ; 11(1): 7445, 2021 Apr 02.
Artigo em Inglês | MEDLINE | ID: mdl-33811220

RESUMO

Two-dimensional (2D) topological surface states in a three-dimensional topological insulator (TI) should produce uniform 2D surface current distribution. However, our transport current imaging studies on Bi2Se3 thin film reveal non-uniform current sheet flow at 15 K with strong edge current flow. This is consistent with other imaging studies on thin films of Bi2Se3. In contrast to strong edge current flow in thin films, in single crystal of Bi2Se3 at 15 K our current imaging studies show the presence of 3.6 nm thick uniform 2D sheet current flow. Above 70 K, this uniform 2D sheet current sheet begins to disintegrate into a spatially non-uniform flow. The flow becomes patchy with regions having high and low current density. The area fraction of the patches with high current density rapidly decreases at temperatures above 70 K, with a temperature dependence of the form [Formula: see text]. The temperature scale of 70 K coincides with the onset of bulk conductivity in the crystal due to electron doping by selenium vacancy clusters in Bi2Se3. Thus our results show a temperature dependent competition between surface and bulk conductivity produces a temperature dependent variation in uniformity of current flow in the topological insulator.

4.
J Biomol Struct Dyn ; 38(15): 4471-4482, 2020 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31625460

RESUMO

The human HMGB1 gene mutations have a major impact on several immune-related diseases and cancer. The detrimental effect of non-synonymous mutations of HMGB1 has not been investigated yet, hence the present study aims to examine single nucleotide polymorphisms and their implications on the structure-function of human HMGB1. The multifaceted HMGB1 protein acts as pleiotropic cytokine and regulates essential genes for coordinated cellular functions. The mutational effect on HMGB1 was analyzed by sequence-based homology methods, supervised learning methods, and structure-based methods. The study identified 58 non-synonymous mutations in human HMGB1, out of which only 2 mutations; R10T (rs61742222) and F103C (rs61733675) were classified as the SNPs with highest deleterious and disease-causing mutants. The effect of these mutations in structure of HMGB1 was scrutinized and the R10T mutant found to have a distinct structural behaviour in the B-box domain. In addition, R10T mutant predicted that it affects the MoRF function of HMGB1 and it could disrupt the DNA binding or/and protein partner interaction activity by HMGB1. F103C mutation takes place at the TLR binding and cytokine inducing region of HMGB1, hence it could affect the protein binding activity which involves in many cellular signaling. The study identified potent mutations R10T (a cancer-causing somatic mutation) and F103C (a novel mutation) and these mutations either directly or indirectly hinder DNA binding activity and TLR and cytokine binding of HMGB1. These findings will help in understanding the molecular basis of these promising mutations and functional role of human HMGB1 in cancer and immunological diseases.AbbreviationsAGERAdvanced glycosylation end product-specific receptorCXCLChemokine (C-X-C motif) liganddbSNPThe single nucleotide polymorphism databaseHMGB1High mobility group box 1LINCSLINear Constraint SolverMDSMolecular dynamics simulationMoRFMolecular recognition featuresNPTNumber of particle, Pressure and TemperatureNVTNumber of particle, Volume and TemperaturensSNPNon-synonymous SNPPBCPartial boundary conditionPCAPrincipal component analysisPMEPartial mesh EwaldRMSDRoot mean square deviationRMSFRoot mean square fluctuationSNPSingle nucleotide polymorphismSPCSingle-point chargeTLRToll-like receptorUTRUn-translated RegionCommunicated by Ramaswamy H. Sarma.


Assuntos
Proteína HMGB1 , Simulação por Computador , Proteína HMGB1/genética , Proteína HMGB1/metabolismo , Humanos , Polimorfismo de Nucleotídeo Único , Ligação Proteica , Virulência
5.
Spectrochim Acta A Mol Biomol Spectrosc ; 200: 212-225, 2018 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-29689512

RESUMO

The inclusion complex of ß-cyclodextrin (ß-CD) with benzoguanamine (BGA) has been investigated in three states. UV-Visible and fluorescence spectral techniques are used in liquid state. FTIR, NMR and MASS techniques are used in solid state and virtual state studies are done by molecular simulation work. The binding constants for the formation of 1:1 BGA:ß-CD inclusion complex is estimated by UV-Visible and fluorescence spectral techniques. The chemosensory ability of BGA:ß-CD complex was investigated thoroughly for various metal cations and we found the emission of complex showed a linear increase in the intensity for Ce4+ with the linearity range of 1000 µM-2000 µM. Sensitivity analysis shows good sensing for Ce4+ with the LOD of 671 µM and LOQ of 2034 µM. Our result suggests that the BGA:ß-CD inclusion complex would be promising material for developing solid state sensory device for sensing Ce4+.

6.
Nutr J ; 17(1): 15, 2018 02 08.
Artigo em Inglês | MEDLINE | ID: mdl-29422041

RESUMO

BACKGROUND: Dietary patterns (DPs) in India are heterogenous. To date, data on association of indigenous DPs in India with risk factors of nutrition-related noncommunicable diseases (cardiovascular disease and diabetes), leading causes of premature death and disability, are limited. We aimed to evaluate the associations of empirically-derived DPs with blood lipids, fasting glucose and blood pressure levels in an adult Indian population recruited across four geographical regions of India. METHODS: We used cross-sectional data from the Indian Migration Study (2005-2007). Study participants included urban migrants, their rural siblings and urban residents and their urban siblings from Lucknow, Nagpur, Hyderabad and Bangalore (n = 7067, mean age 40.8 yrs). Information on diet (validated interviewer-administered, 184-item semi-quantitative food frequency questionnaire), tobacco consumption, alcohol intake, physical activity, medical history, as well as anthropometric measurements were collected. Fasting-blood samples were collected for estimation of blood lipids and glucose. Principal component analysis (PCA) was used to identify major DPs based on eigenvalue> 1 and component interpretability. Robust standard error multivariable linear regression models were used to investigate the association of DPs (tertiles) with total cholesterol (TC), low density lipoprotein-cholesterol (LDL-C), high density lipoprotein-cholesterol (HDL-C), triglycerides, fasting-blood glucose (FBG), systolic and diastolic blood pressure (SBP and DBP) levels. RESULTS: Three major DPs were identified: 'cereal-savoury' (cooked grains, rice/rice-based dishes, snacks, condiments, soups, nuts), 'fruit-vegetable-sweets-snacks' (Western cereals, vegetables, fruit, fruit juices, cooked milk products, snacks, sugars, sweets) and 'animal food' (red meat, poultry, fish/seafood, eggs) patterns. High intake of the 'animal food' pattern was positively associated with levels of TC (ß = 0.10 mmol/L; 95% CI: 0.02, 0.17 mmol/L; p-trend = 0.013); LDL-C (ß = 0.07 mmol/L; 95% CI: 0.004, 0.14 mmol/L; p-trend = 0.041); HDL-C (ß = 0.02 mmol/L; 95% CI: 0.004, 0.04 mmol/L; p-trend = 0.016), FBG: (ß = 0.09 mmol/L; 95% CI: 0.01, 0.16 mmol/L; p-trend = 0.021) SBP (ß = 1.2 mm/Hg; 95% CI: 0.1, 2.3 mm/Hg; p-trend = 0.032); DBP: (ß = 0.9 mm/Hg; 95% CI: 0.2, 1.5 mm/Hg; p-trend = 0.013). The 'cereal-savoury' and 'fruit-vegetable-sweets-snacks' patterns showed no association with any parameter except for a positive association with diastolic blood pressure for high intake of 'fruits-vegetables-sweets-snacks' pattern. CONCLUSION: Our results indicate positive associations of the 'animal food' pattern with cardio-metabolic risk factors in India. Further longitudinal assessments of dietary patterns in India are required to validate the findings.


Assuntos
Glicemia , Pressão Sanguínea , Colesterol/sangue , Dieta/métodos , Migrantes/estatística & dados numéricos , Triglicerídeos/sangue , Adulto , Estudos Transversais , Feminino , Humanos , Índia , Masculino , População Rural/estatística & dados numéricos , População Urbana/estatística & dados numéricos
7.
J Biomol Struct Dyn ; 36(1): 209-220, 2018 01.
Artigo em Inglês | MEDLINE | ID: mdl-27960631

RESUMO

Secreted venom Phospholipase A2 is highly responsible for pharmacological effects like neurotoxicity, myotoxicity, hemolytic, anti-coagulation, and platelet aggregation. Neutralization of these pharmacological behaviors is one of the challenges existing for many decades and a potent drug compound for this is very much needed to control local effects of venom sPLA2. In this study, we investigated binding mechanism and kinetics of inhibition of Piperine (major constitute of Piper nigrum) with sPLA2 using DFT, MD simulation, MM-PBSA, and SPR method. Frontier MO properties were suggested that it procured better chemical reactivity and druglikeness and binding mode of Piperine with EcPLA2 defined that it occupied well in N-terminal hydrophobic cleft. The persistence of Piperine interactions with and without calcium ion was analyzed and confirmed by MD simulation analysis. The dPCA-based FEL shows the nature of apo- and Piperine-bound conformational behavior of EcPLA2 including intermediate forms. Further, binding energy of Piperine was calculated by high-throughput MM-PBSA which states that calcium ion presence enhances the Piperine binding by additional electrostatic interactions. Finally, kinetics of inhibition between Piperine and EcPLA2 implied that it secured better binding affinity (KD: as 1.708 pM) and the result gives clear evidence for the binding mechanism and binding energy calculated. In conclusion, Piperine was authenticated with better drug ability, entrenched binding interaction, and robust kinetics of inhibition with EcPLA2 through which it can become an exceeding drug candidate for pharmacological as well as catalytic activity of sPLA2.


Assuntos
Alcaloides/química , Benzodioxóis/química , Simulação de Dinâmica Molecular , Fosfolipases A2 Secretórias/química , Piperidinas/química , Alcamidas Poli-Insaturadas/química , Venenos de Serpentes/enzimologia , Alcaloides/metabolismo , Alcaloides/farmacologia , Animais , Benzodioxóis/metabolismo , Benzodioxóis/farmacologia , Sítios de Ligação , Cinética , Estrutura Molecular , Fosfolipases A2 Secretórias/antagonistas & inibidores , Fosfolipases A2 Secretórias/metabolismo , Piperidinas/metabolismo , Piperidinas/farmacologia , Alcamidas Poli-Insaturadas/metabolismo , Alcamidas Poli-Insaturadas/farmacologia , Ligação Proteica , Conformação Proteica , Ressonância de Plasmônio de Superfície
8.
Mol Biosyst ; 12(4): 1128-38, 2016 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-26867694

RESUMO

Hyaluronidases (Hyals) are a class of carbohydrate-active enzyme involved in angiogenesis, cancer proliferation, tumour growth and venom spreading. Functionally significant Hyals are responsible for the fast spreading of venom to the target site of action. The absence of molecular diversity and the structural and functional behaviour of snake venom Hyals was the inspiration for the objective of this study. Echis pyramidum leakeyi hyaluronidase (EHY)-based phylogenetic analysis showed the existence of two functional groups of Hyals which had diverged from the coral snake (the ancestor). The structure was modelled and it was found that the E-loop region (211-224 AA) was only present in EHY compared to the templates which may account for the significant function of viper Hyal. The best interacting ligands were screened from the selected plant derivatives and MYR consisted of better pharmacophore features (AADDRRR) in comparison with other ligands. Furthermore, the HOMO, LUMO, and MO energies and energy gaps of CGA, MIM and MYR were calculated by DFT analysis. EHY-ligand complex stability and interactions were investigated through MD simulation and FEL analysis. These revealed that MIM and MYR or their derivative compounds could be prominent lead molecules for both EHY and other eukaryotic Hyals. PCA analysis of both the non-ligated and ligated forms confirmed that loop-III (86-96 AA) and E-loop region structural rearrangements were essential for the association and dissociation process of the substrate. Particularly, ARG92 and LYS219 are determined as important key residues from the conformational changes. These regions' dynamic behaviour can be associated with HA binding and the catalytic function of EHY. This result can extend our knowledge of viper Hyal functional behaviour and provides structural insight to target eukaryotic Hyals as forthcoming drug targets in cancer treatment and venom spreading.


Assuntos
Variação Genética , Hialuronoglucosaminidase/química , Hialuronoglucosaminidase/genética , Ligantes , Modelos Moleculares , Conformação Proteica , Viperidae , Animais , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular , Filogenia , Ligação Proteica
9.
J Phys Condens Matter ; 28(7): 075003, 2016 Feb 24.
Artigo em Inglês | MEDLINE | ID: mdl-26812889

RESUMO

Magneto-resistance and Hall resistance measurements have been carried out in fast-cooled single crystals of Bi2Se3-xTex (x = 0 to 2) in 4-300 K temperature range, under magnetic fields up to 15 T. The variation of resistivity with temperature that points to a metallic behaviour in Bi2Se3, shows an up-turn at low temperatures in the Te doped samples. Magneto-resistance measurements in Bi2Se3 show clear signatures of Shubnikov-de Hass (SdH) oscillations that gets suppressed in the Te doped samples. In the Bi2SeTe2 sample, the magneto-resistance shows a cusp like positive magneto-resistance at low magnetic fields and low temperatures, a feature associated with weak anti-localisation (WAL), that crosses over to negative magneto-resistance at higher fields. The qualitatively different magneto-transport behaviour seen in Bi2SeTe2 as compared to Bi2Se3 is rationalised in terms of the disorder, through an estimate of the carrier density, carrier mobility and an analysis in terms of the Ioffe-Regel criterion with support from Hall Effect measurements. We demonstrate that by introducing Te, in the strongly disordered samples a smooth crossover of SdH and WAL can be seen in the Bi2Se3-xTex series, both of which provide signatures for the presence of topological surface states.

10.
Gen Dent ; 63(3): e27-31, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-25945775

RESUMO

Many systemic diseases exert their influence on oral health. Among these, gastroesophageal reflux disease (GERD) is the most common. In this study, 100 patients who were previously diagnosed with GERD were examined following a 12-hour fast and evaluated in terms of the severity (grade) of the disease as well as any oral, dental, and/or salivary pH changes. Results found 11 patients with tooth erosion. These patients were older, and their average mean duration of GERD was longer in comparison to those without erosion. There was an inverse relationship between salivary pH and the GERD duration and grade of severity. As the GERD grade increased, the severity of tooth erosion increased. Patients with erosion also exhibited oral mucosal changes. Thus severe, long-term GERD was found to be potentially detrimental to oral soft tissues, dental structures, and salivary pH, whereas milder forms of the disease did not necessarily cause dental side effects.


Assuntos
Refluxo Gastroesofágico/complicações , Doenças da Boca/etiologia , Adulto , Feminino , Refluxo Gastroesofágico/patologia , Humanos , Concentração de Íons de Hidrogênio , Masculino , Pessoa de Meia-Idade , Boca/patologia , Doenças da Boca/patologia , Mucosa Bucal/patologia , Saliva/química , Erosão Dentária/etiologia , Erosão Dentária/patologia
11.
Artigo em Inglês | MEDLINE | ID: mdl-25643716

RESUMO

We present the results of synchrotron X-ray diffraction (XRD) measurements on powdered single-crystal samples of BaFe(2-x)Ru(x)As2, as a function of Ru content, and as a function of temperature, across the spin-density wave transition in BaFe(1.9)Ru(0.1)As2. The Rietveld refinements reveal that with Ru substitution, while the a-axis increases, the c-axis decreases. In addition, the variation of positional coordinates of As (z(As)), the Fe-As bond length and the As-Fe-As bond angles have also been determined. In the sample with x = 0.1, temperature-dependent XRD measurements indicate that the orthorhombicity shows the characteristic increase with a decrease in temperature, below the magnetic transition. It is seen that the c-axis, the As-Fe-As bond angles, Fe-As bond length and positional coordinates of the As show definite anomalies close to the structural transition. The observed anomalies in structural parameters are analysed in conjunction with restricted geometric optimization of the structure using ab initio electronic structure calculations.

12.
J Photochem Photobiol B ; 140: 359-64, 2014 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-25240425

RESUMO

A new series of substituted ethyl 10-chloro-4-(3,4-dimethoxyphenyl)-2-hydroxy-12-phenyl-1,4,5,6-tetrahydrobenzo[a]acridine-3-carboxylates, 3a-e have been synthesized through NaOH base mediated cyclocondensation of (E)-7-chloro-2-(3,4-dimethoxybenzylidene)-9-phenyl-3,4-dihydroacridin-1(2H)-ones, 1a-e with ethyl acetoacetate. Structures of these synthesized molecules were studied by FT-IR, (1)H NMR, (13)C NMR and EI-MS. And all the synthesized compounds were evaluated for their UV-absorption studies with various metal solutions. Acridine-3-carboxylate derivatives were tested against fourth instar larvae of Anopheles stephensi and Hippobosca maculata. Among those compounds, 3b and 3e have good larvicidal activities against both A.stephensi and H.maculata. Toxicity of compounds, 3b and 3e compounds were evaluated with the reference non-target aquatic species like, Sphaerodema annulatum Fabricius (Heteroptera: Belostomatidae) and Zyxomma petiolatum Rambur (Odonata: Libellulidae) results very low LC50 values revels that, the synthetic compounds are non toxic.


Assuntos
Ácidos Carboxílicos/química , Inseticidas/química , Solventes/química , Animais , Anopheles , Larva/efeitos dos fármacos
13.
J Phys Condens Matter ; 26(35): 356002, 2014 Sep 03.
Artigo em Inglês | MEDLINE | ID: mdl-25115987

RESUMO

Mössbauer measurements have been carried out in powdered single crystalline samples of BaFe(2-x)RuxAs(2), for Ru concentration in the x = 0.0-0.5 range. The internal hyperfine field (B(hf)) measured at 5 K is found to decrease with an increase in Ru concentration, consistent with the disappearance of a magnetic ground state with Ru substitution. The temperature dependent Mössbauer measurements have been used to study the evolution of magnetic ordering at the Fe sites, in samples with a Ru fraction of x = 0.1 and 0.5. From the analysis of the data, it is surmised that the isomer shift increases with a decrease in temperature, with a characteristic slope change at the structural transition in both samples studied. In both the x = 0.1 and x = 0.5 samples, a low B(hf) centred around 0.5 Tesla is seen to occur well above the structural transition temperature, the contribution from which is suppressed with a decrease in temperature. Below the structural transition temperature, a bimodal distribution of B(hf) centred at about 3 Tesla and 5 Tesla emerges, the contribution from which increases with a further decrease in temperature. Spin polarized density functional calculations suggest the occurrence of different magnetic moments at the Fe sites in the Ru substituted compounds, and provide a rationale for the experimentally observed multimodel B(hf).

14.
Biomed Res Int ; 2014: 971569, 2014.
Artigo em Inglês | MEDLINE | ID: mdl-24991576

RESUMO

An in vitro antidiabetic activity on α -amylase and α -glucosidase activity of novel 10-chloro-4-(2-chlorophenyl)-12-phenyl-5,6-dihydropyrimido[4,5-a]acridin-2-amines (3a-3f) were evaluated. Structures of the synthesized molecules were studied by FT-IR, (1)H NMR, (13)C NMR, EI-MS, and single crystal X-ray structural analysis data. An in silico molecular docking was performed on synthesized molecules (3a-3f). Overall studies indicate that compound 3e is a promising compound leading to the development of selective inhibition of α -amylase and α -glucosidase.


Assuntos
Diabetes Mellitus/tratamento farmacológico , Hipoglicemiantes/química , Simulação de Acoplamento Molecular , alfa-Amilases/química , Simulação por Computador , Cristalografia por Raios X , Inibidores de Glicosídeo Hidrolases/síntese química , Inibidores de Glicosídeo Hidrolases/química , Hipoglicemiantes/síntese química , Espectroscopia de Ressonância Magnética , Estrutura Molecular , Relação Estrutura-Atividade , alfa-Amilases/antagonistas & inibidores
15.
Biomed Res Int ; 2014: 915797, 2014.
Artigo em Inglês | MEDLINE | ID: mdl-24868553

RESUMO

Many naturally occurring and synthetic compounds containing dihydrocyanopyridine and cyanopyran moiety show pharmacological properties. The aim of this study is to investigate the larvicidal and antioxidant potential of dihydrophenanthroline-3-carbonitrile derivatives 4a-f. A novel series of 2-amino-10-chloro-4,12-diphenyl-1,4,5,6-tetrahydrobenzo[j][1,7]phenanthroline-3-carbonitrile derivatives were synthesized by reacting different substituted acridine chalcones through Michel addition. The compounds were synthesized in excellent yields and the structures were corroborated on the basis of FT-IR, 1H NMR, 13C NMR, and ESI Mass analysis data. All the synthesized compounds were evaluated for larvicidal activity against Aedes aegypti and Culex quinquefasciatus larvae. Furthermore, the antioxidant activity was studied by the 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay method. From the antioxidant assay, the compound 4c was reported with profound antioxidant potential.


Assuntos
Antimaláricos/química , Antioxidantes/química , Inseticidas/química , Controle de Mosquitos , Nitrilas/química , Acridinas/química , Aedes , Animais , Bioensaio , Chalconas/química , Culex , Relação Dose-Resposta a Droga , Espectroscopia de Ressonância Magnética , Espectrometria de Massas por Ionização por Electrospray , Espectroscopia de Infravermelho com Transformada de Fourier
16.
J Phys Condens Matter ; 25(43): 436001, 2013 Oct 30.
Artigo em Inglês | MEDLINE | ID: mdl-24097308

RESUMO

We present magnetization and resistance measurements carried out on pristine and Ca-doped Gd(1-x)Ca(x)BaCo2O5.5 (x = 0.02) samples using the cooling and heating in unequal field (CHUF) protocol. The measurements reveal that the high temperature ferromagnetic phase is kinetically arrested at low temperature when the sample is cooled in a magnetic field. The volume fraction of this arrested phase increases upon Ca substitution and also by increasing the field in which the sample is cooled. Since the ferromagnetic phase is less resistive when compared to the low temperature antiferromagnetic phase, a tunable resistance is achieved in the sample by cooling in different magnetic fields. By cooling in magnetic fields of 9 T a reduction in resistivity by an order of magnitude is achieved. These results are consistent with the coexistence of the low temperature equilibrium antiferromagnetic phase with kinetically arrested high temperature ferromagnetic phase in the system.

17.
PLoS Med ; 10(6): e1001459, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-23776412

RESUMO

BACKGROUND: Increasing active travel (walking, bicycling, and public transport) is promoted as a key strategy to increase physical activity and reduce the growing burden of noncommunicable diseases (NCDs) globally. Little is known about patterns of active travel or associated cardiovascular health benefits in low- and middle-income countries. This study examines mode and duration of travel to work in rural and urban India and associations between active travel and overweight, hypertension, and diabetes. METHODS AND FINDINGS: Cross-sectional study of 3,902 participants (1,366 rural, 2,536 urban) in the Indian Migration Study. Associations between mode and duration of active travel and cardiovascular risk factors were assessed using random-effect logistic regression models adjusting for age, sex, caste, standard of living, occupation, factory location, leisure time physical activity, daily fat intake, smoking status, and alcohol use. Rural dwellers were significantly more likely to bicycle (68.3% versus 15.9%; p<0.001) to work than urban dwellers. The prevalence of overweight or obesity was 50.0%, 37.6%, 24.2%, 24.9%; hypertension was 17.7%, 11.8%, 6.5%, 9.8%; and diabetes was 10.8%, 7.4%, 3.8%, 7.3% in participants who travelled to work by private transport, public transport, bicycling, and walking, respectively. In the adjusted analysis, those walking (adjusted risk ratio [ARR] 0.72; 95% CI 0.58-0.88) or bicycling to work (ARR 0.66; 95% CI 0.55-0.77) were significantly less likely to be overweight or obese than those travelling by private transport. Those bicycling to work were significantly less likely to have hypertension (ARR 0.51; 95% CI 0.36-0.71) or diabetes (ARR 0.65; 95% CI 0.44-0.95). There was evidence of a dose-response relationship between duration of bicycling to work and being overweight, having hypertension or diabetes. The main limitation of the study is the cross-sectional design, which limits causal inference for the associations found. CONCLUSIONS: Walking and bicycling to work was associated with reduced cardiovascular risk in the Indian population. Efforts to increase active travel in urban areas and halt declines in rural areas should be integral to strategies to maintain healthy weight and prevent NCDs in India. Please see later in the article for the Editors' Summary.


Assuntos
Diabetes Mellitus/epidemiologia , Emprego , Hipertensão/epidemiologia , Sobrepeso/epidemiologia , Viagem/estatística & dados numéricos , Adulto , Ciclismo , Estudos Transversais , Feminino , Humanos , Índia/epidemiologia , Masculino , Obesidade/epidemiologia , Fatores de Risco , Caminhada
18.
J Clin Diagn Res ; 7(4): 731-3, 2013 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-23730661

RESUMO

An isolated fallopian tube torsion is a rare, often difficult to diagnose, but significant cause of acute lower abdominal pain in women of the reproductive age group. It is rare in the perimenopausal age group. We are presenting a literature review and the case of a 47 years old woman who presented with a sudden onset of acute lower abdominal pain . Her clinical examination revealed an 8x8 cm, tender, cystic mass in the left lower quadrant, with positive cervical movement tenderness. MRI revealed a gross hydrosalpinx with a small left ovarian cyst. With a diagnosis of left adnexal torsion, an emergency laparotomy was performed, which revealed an isolated left fallopian tube torsion which necessitated a left salpingo-oophorectomy. A tubal torsion should be suspected in females with acute lower abdominal pain, of any age group, especially in those with predisposing factors like pelvic infections, tumours and surgeries which include tubal ligation. Laparoscopy is the preferred modality for the diagnosis and treatment of a tubal torsion.

19.
J Clin Diagn Res ; 7(2): 326-30, 2013 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-23543639

RESUMO

BACKGROUND AND OBJECTIVES: A significant number of women experience perineal trauma following vaginal deliveries and they require stitches. This may result in perineal pain, dyspareunia and faulty healing. The type of suture material which is used, will influence these factors. This study was conducted to compare the impact of two absorbable suture materials which were used for episiotomy repair, namely vicryl rapide and chromic catgut in relation to a short term maternal morbidity, in terms of the perineal pain and the wound healing. METHODS: This was a prospective, randomized study which was conducted in the hospitals which were attached to JJMMC, Davangere. Four hundred women with episiotomies were randomly allocated to repair with either vicrylrapide or chromic catgut (200 each). The outcome measures which were assessed were perineal pain and wound healing at 24-48 hours, 3-5 days and 6 weeks postpartum. RESULTS: The two groups were similar at the trial entry. As compared to the chromic catgut group, the vicryl rapide group was associated with less pain (32.5% vs 57%) and a less need for analgesia (15.5% vs 0.5) at 3-5 days. There was also a signifi- cant reduction in the wound indurations, uncomfortable stitches and wound dehiscence (4% vs 13.5%) and a better wound healing (p<0.05 significant) in the vicrylrapide group. No significant difference was noted in the perineal pain at 6 weeks postpartum. Wound infections (3.5%) and wound resuturing (2%) were seen in the chromic catgut group and they were absent in the vicrylrapide group. INTERPRETATION AND CONCLUSION: So, this study concluded that vicrylrapide was the ideal suture material for episiotomy repair, which resulted in less perineal pain and a better wound healing.

20.
Natl Med J India ; 26(5): 266-72, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-25017832

RESUMO

Background. Food frequency questionnaires (FFQs) have been used in epidemiological studies across the world to capture the usual food intake of individuals. As food habits vary in different population groups, FFQs should be validated before use. Hence, we determined the reproducibility and validity of FFQs designed for urban and rural populations of northern India. Methods. Separate FFQs, designed for urban and rural populations using standard methods, were administered to a sample of 200 subjects (100 urban and 100 rural) in the age group of 35-70 years in the beginning (baseline FFQ) of the study and after an interval of 1 year (1-year FFQ) to assess their reproducibility. Six 24-hour dietary-recalls, taken at an interval of 2 months over a period of 1 year, were used as a reference method to test the validity. Crude and energy- adjusted nutrient intakes estimated from FFQs and 24-hour dietary-recalls were compared using Pearson correlation coefficients. Bland and Altman plots were also used to test the agreement between the two methods. Results. Nutrient intakes were found to be similar at the baseline and 1-year FFQs in urban and rural areas. The unadjusted Pearson correlation between 24-hour dietary- recalls and 1-year FFQ ranged from 0.22 for vitamin C to 0.63 for iron in the urban area. It ranged from 0.06 for vitamin C to 0.74 for energy in the rural area. The correlations lowered after adjusting for energy and there was a minimal increase after de-attenuation. Conclusion. The FFQs were reproducible and valid for assessing nutrient intakes except for some micronutrients.


Assuntos
Comportamento Alimentar , Inquéritos e Questionários , Adulto , Idoso , Índice de Massa Corporal , Ingestão de Energia , Feminino , Humanos , Índia , Masculino , Rememoração Mental , Pessoa de Meia-Idade , Reprodutibilidade dos Testes , População Rural , População Urbana
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