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1.
Plant Physiol Biochem ; 212: 108731, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38761545

RESUMEN

Seed endophytic bacteria have been shown to promote the growth and development of numerous plants. However, the underlying mechanism still needs to be better understood. The present study aims to investigate the role of a seed endophytic bacterium Lysinibacillus sp. (ZM1) in promoting plant growth and shaping the root architecture of maize seedlings. The study explores how bacteria-mediated auxin biosynthesis and nitrogen metabolism affect plant growth promotion and shape the root architecture of maize seedlings. The results demonstrate that ZM1 inoculation significantly enhances root length, root biomass, and the number of seminal roots in maize seedlings. Additionally, the treated seedlings exhibit increased shoot biomass and higher levels of photosynthetic pigments. Confocal laser scanning microscopy (CLSM) analysis revealed extensive colonization of ZM1 on root hairs, as well as in the cortical and stellar regions of the root. Furthermore, LC-MS analysis demonstrated elevated auxin content in the roots of the ZM1 treated maize seedlings compared to the uninoculated control. Inoculation with ZM1 significantly increased the levels of endogenous ammonium content, GS, and GOGAT enzyme activities in the roots of treated maize seedlings compared to the control, indicating enhanced nitrogen metabolism. Furthermore, inoculation of bacteria under nitrogen-deficient conditions enhanced plant growth, as evidenced by increased root shoot length, fresh and dry weights, average number of seminal roots, and content of photosynthetic pigments. Transcript analysis indicated upregulation of auxin biosynthetic genes, along with genes involved in nitrogen metabolism at different time points in roots of ZM1-treated maize seedlings. Collectively, our findings highlight the positive impact of Lysinibacillus sp. ZM1 inoculation on maize seeds by improving root architecture through modulation of auxin biosynthesis and affecting various nitrogen metabolism related parameters. These findings provide valuable insights into the potential utilization of seed endophytic bacteria as biofertilizers to enhance plant growth and yield in nutrient deficient soils.


Asunto(s)
Bacillaceae , Ácidos Indolacéticos , Nitrógeno , Raíces de Plantas , Zea mays , Zea mays/microbiología , Zea mays/metabolismo , Zea mays/crecimiento & desarrollo , Ácidos Indolacéticos/metabolismo , Nitrógeno/metabolismo , Raíces de Plantas/microbiología , Raíces de Plantas/metabolismo , Bacillaceae/metabolismo , Endófitos/metabolismo , Endófitos/fisiología , Semillas/microbiología , Semillas/metabolismo , Semillas/crecimiento & desarrollo , Plantones/microbiología , Plantones/metabolismo , Plantones/crecimiento & desarrollo
2.
ACS Sustain Resour Manag ; 1(3): 417-426, 2024 Mar 28.
Artículo en Inglés | MEDLINE | ID: mdl-38566747

RESUMEN

While perovskite photovoltaic (PV) devices are on the verge of commercialization, promising methods to recycle or remanufacture fully encapsulated perovskite solar cells (PSCs) and modules are still missing. Through a detailed life-cycle assessment shown in this work, we identify that the majority of the greenhouse gas emissions can be reduced by re-using the glass substrate and parts of the PV cells. Based on these analytical findings, we develop a novel thermally assisted mechanochemical approach to remove the encapsulants, the electrode, and the perovskite absorber, allowing reuse of most of the device constituents for remanufacturing PSCs, which recovered nearly 90% of their initial performance. Notably, this is the first experimental demonstration of remanufacturing PSCs with an encapsulant and an edge-seal, which are necessary for commercial perovskite solar modules. This approach distinguishes itself from the "traditional" recycling methods previously demonstrated in perovskite literature by allowing direct reuse of bulk materials with high environmental impact. Thus, such a remanufacturing strategy becomes even more favorable than recycling, and it allows us to save up to 33% of the module's global warming potential. Remarkably, this process most likely can be universally applied to other PSC architectures, particularly n-i-p-based architectures that rely on inorganic metal oxide layers deposited on glass substrates. Finally, we demonstrate that the CO2-footprint of these remanufactured devices can become less than 30 g/kWh, which is the value for state-of-the-art c-Si PV modules, and can even reach 15 g/kWh assuming a similar lifetime.

3.
Nanoscale ; 15(7): 3130-3134, 2023 Feb 16.
Artículo en Inglés | MEDLINE | ID: mdl-36723028

RESUMEN

A sacrificial film of polystyrene nanoparticles was utilized to introduce nano-cavities into mesoporous metal oxide layers. This enabled the growth of larger perovskite crystals inside the oxide scaffold with significantly suppressed non-radiative recombination and improved device performance. This work exemplifies potential applications of such nanoarchitectonic approaches in perovskite opto-electronic devices.

4.
Microbiol Res ; 265: 127201, 2022 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-36167006

RESUMEN

The genus Burkholderia has proven potential in improving plant performance. In recent decades, a huge diversity of Burkholderia spp. have been reported with diverse capabilities of plant symbiosis which could be harnessed to enhance plant growth and development. Colonization of endophytic Burkholderia spp. have been extensively studied through techniques like advanced microscopy, fluorescent labelling, PCR based assays, etc., and found to be systemically distributed in plants. Thus, use of these biostimulant microbes holds the promise of improving quality and quantity of crops. The endophytic Burkholderia spp. have been found to support plant functions along with boosting nutrient availability, especially under stress. Endophytic Burkholderia spp. improve plant survival against deadly pathogens via mechanisms like competition, induced systemic resistance, and antibiosis. At the same time, they are reported to extend plant tolerance towards multiple abiotic stresses especially drought, salinity, and cold. Several attempts have been made to decipher the potential of Burkholderia spp. by genome mining, and these bacteria have been found to harbour genes for plant symbiosis and for providing multiple benefits to host plants. Characteristics specific for host recognition and nutrient acquisition were confirmed in endophytic Burkholderia by genomics and proteomics-based studies. This could pave the way for harnessing Burkholderia spp. for biotechnological applications like biotransformation, phytoremediation, insecticidal activity, antimicrobials, etc. All these make Burkholderia spp. a promising microbial agent in improving plant performance under multiple adversities. Thus, the present review highlights critical roles of endophytic Burkholderia spp., their colonization, alleviation of biotic and abiotic stresses, biotechnological applications and genomic insights.


Asunto(s)
Burkholderia , Burkholderia/genética , Endófitos/metabolismo , Desarrollo de la Planta , Plantas/microbiología , Simbiosis
5.
Front Microbiol ; 12: 774293, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-34956137

RESUMEN

Seed endophytic bacteria (SEB) are primary symbionts that play crucial roles in plant growth and development. The present study reports the isolation of seven culturable SEB including Kosakonia cowanii (KAS1), Bacillus subtilis (KAS2), Bacillus tequilensis (KAS3), Pantoea stewartii (KAS4), Paenibacillus dendritiformis (KAS5), Pseudomonas aeruginosa (KAS6), and Bacillus velezensis (KAS7) in pearl millet seeds. All the isolates were characterized for their plant growth promoting activities. Most of the SEB also inhibited the growth of tested fungal phytopathogens in dual plate culture. Removal of these SEB from seeds compromised the growth and development of seedlings, however, re-inoculation with the SEB (Kosakonia cowanii, Pantoea stewartii, and Pseudomonas aeruginosa) restored the growth and development of seedlings significantly. Fluorescence microscopy showed inter and intracellular colonization of SEB in root parenchyma and root hair cells. Lipopeptides were extracted from all three Bacillus spp. which showed strong antifungal activity against tested fungal pathogens. Antifungal lipopeptide genes were also screened in Bacillus spp. After lipopeptide treatment, live-dead staining with fluorescence microscopy along with bright-field and scanning electron microscopy (SEM) revealed structural deformation and cell death in Fusarium mycelia and spores. Furthermore, the development of pores in the membrane and leakages of protoplasmic substances from cells and ultimately death of hyphae and spores were also confirmed. In microcosm assays, treatment of seeds with Bacillus subtilis or application of its lipopeptide alone significantly protected seedlings from Fusarium sp. infection.

6.
Microbiol Res ; 255: 126926, 2021 Nov 24.
Artículo en Inglés | MEDLINE | ID: mdl-34856481

RESUMEN

Bacteria from different crops and plant varieties have been shown to possess enormous growth promotional attributes. The study aimed to investigate the role of the endophytic microbiome of seeds of corn in improving the growth of seedlings of two different varieties of maize crops (K-25 and baby corn). Furthermore, the study also assessed the role of these bacteria in the protection of seedlings from fungal pathogens. Total twenty-three endophytic bacterial strains were isolated from maize seeds and identified using 16S rDNA sequencing. Most of the isolates had the ability to synthesize auxin (70 %) and solubilize phosphate (74 %), while all the isolates showed nitrogen fixation ability. Some isolates also showed antagonistic activity against phytopathogenic fungi including Rhizoctonia solani and Fusarium sp. suggesting their biocontrol potential. The presence of different lipopeptide genes including bacillomycin D, fengycin, iturin A and surfactin was confirmed in some of the isolates. We observed that treating seeds with an antibiotic compromised the seedlings' growth; however, re-inoculation with endophytic isolates (ZM1/Lysinibacillus sp. and ZM2/Paenibacillus dendritiformis) restored the growth of the seedlings in terms of improved root and shoot development in comparison to non-inoculated controls. The colonization of inoculated bacteria on the root surface was visualized using fluorescent microscopy. Seedling protection assay showed that treated seeds (with ZMW8/ Bacillus velezensis) were protected from fungal infestation (Fusarium verticillioides) even after 12 days of inoculation in comparison to the uninoculated control. The study concludes that indigenous seed-associated bacteria of maize play a major role during seed germination, seedling formation and protect them from phytopathogens.

7.
J Mol Model ; 27(2): 62, 2021 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-33523286

RESUMEN

The formation of secondary organic aerosols caused by atmospheric oxidation of isoprene is harmful to human health and the climate; thus, isoprene oxidation is further mandatory to obtain less harmful or harmless highly oxidised products. In this numerical investigation, 2-hydroperoxy-2-methylbut-3-en-1-ol (ISOPOOH) was considered the model compound to investigate the formation of three RO2 radicals (C5H11O4, C5H11O6 and C5H11O5) and two saturated highly oxidised products (C5H12O6 and C5H10O6). The complete reaction network and its thermodynamics and kinetics were analysed to obtain the most probable and feasible reaction pathways. Four different levels of theories (HF, B3LYP, M06-2X and ωB97XD with basis set of 6-31+g(d,p)) were employed to explore a global minimum of ISOPOOH. All theories provided approximately close energetics; however, because of the novelty of the functional and parameterisation of the basis set, the ωB97XD functional was selected to examine the reaction mechanism. C5H12O6 was formed as the second-generation highly oxidised product during ISOPOOH oxidation.

8.
Adv Mater ; 32(17): e2000716, 2020 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-32196130

RESUMEN

Printed functional conductive inks have triggered scalable production of smart electronics such as energy-storage devices, antennas, wearable electronics, etc. Of particular interest are highly conductive-additive-free inks devoid of costly postdeposition treatments to eliminate sacrificial components. Due to the high filler concentration required, formulation of such waste-free inks has proven quite challenging. Here, additive-free, 2D titanium carbide MXene aqueous inks with appropriate rheological properties for scalable screen printing are demonstrated. Importantly, the inks consist essentially of the sediments of unetched precursor and multilayered MXene, which are usually discarded after delamination. Screen-printed structures are presented on paper with high resolution and spatial uniformity, including micro-supercapacitors, conductive tracks, integrated circuit paths, and others. It is revealed that the delaminated nanosheets among the layered particles function as efficient conductive binders, maintaining the mechanical integrity and thus the metallic conductive network. The areal capacitance (158 mF cm-2 ) and energy density (1.64 µWh cm-2 ) of the printed micro-supercapacitors are much superior to other devices based on MXene or graphene. The ink formulation strategy of "turning trash into treasure" for screen printing highlights the potential of waste-free MXene sediment printing for scalable and sustainable production of next-generation wearable smart electronics.

9.
J Chem Phys ; 151(16): 164302, 2019 Oct 28.
Artículo en Inglés | MEDLINE | ID: mdl-31675875

RESUMEN

Water dissociation is an important reaction involved in many industrial processes. In this computational study, the dissociation of water is used as a model reaction for probing the activity of interfacial sites of globally optimized ZrO2 supported Pt and Rh clusters under the framework of density functional theory. Our findings demonstrate that the perimeter sites of these small clusters can activate water, but the dissociation behavior varies considerably between sites. It is shown that the studied clusters break scaling relationships for water dissociation, suggesting that these catalysts may achieve activities beyond the maximum imposed by such relations. Furthermore, we observed large differences in the thermodynamics of the water dissociation reaction between global minimum and near-global minimum isomers of the clusters. Overall, our results highlight the uniqueness of interfacial sites in catalytic reactions and the need for developing new concepts and tools to deal with the associated complexity.

10.
Phys Chem Chem Phys ; 21(40): 22320-22330, 2019 Oct 16.
Artículo en Inglés | MEDLINE | ID: mdl-31576863

RESUMEN

Unprocessed bio-oils derived from the thermochemical conversion of lignocellulosic biomass suffer from low energy density primarily due to the presence of high amounts of oxygen functional groups. Therefore, the elimination of oxygen atoms over a suitable catalyst surface is viewed as one of the appropriate mechanisms for elevating the quality of bio-oils. Here, in this computational study, three oxygenated bio-oil model compounds, namely, 2-butenal, butan-2,3-diol, and butan-2,3-dione were considered as the representative compounds of the oxygenated catalogue of bio-oils. The decomposition mechanisms of these model compounds along with microkinetic modelling were studied over a palladium catalyst surface to produce low or no oxygen-containing products under the density functional theory (DFT) framework. Propene and methane were observed as the major products in the decomposition processes of 2-butenal and butan-2,3-dione, respectively. Butan-2,3-diol showed no major products due to high barriers. The increase in temperature was observed to be beneficial for improving the reaction rate constants; however, in many cases, the elevation of temperature shifted the equilibrium towards the reactants. CO acted as one of the major inhibitors due to the decarbonylation reaction of aldehydes.

11.
J Obstet Gynaecol India ; 69(4): 363-368, 2019 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-31391745

RESUMEN

BACKGROUND: Chromohysteroscopy is expected to help in diagnosing subtle endometrial pathologies which could be missed on conventional hysteroscopy and also help in targeting biopsy from endometrium. OBJECTIVE: To study staining pattern of endometrium in patients undergoing chromohysteroscopy and to evaluate and compare the histopathology of chromohysteroscopy-guided endometrial biopsy with conventional endometrial sampling. METHOD: This was a cross-sectional study conducted during the period of 18 months in Department of Obstetrics and Gynaecology, ESI PGIMSR, New Delhi, India, from September 2016 to February 2018. Totally, 60 women with complaints of infertility, failed intrauterine insemination (IUI), recurrent spontaneous abortions (RSA), heavy menstrual bleeding (HMB), intermenstrual bleeding (IMB) and postmenopausal bleeding (PMB) meeting inclusion criteria were evaluated and enrolled in the study. In patients with normal looking endometrium on hysteroscopy, methylene blue dye was administered through the hysteroscopic inlet. Tissue samples were obtained from stained areas followed by blind endometrial sampling immediately. The results of chromohysteroscopy-guided biopsy from light- and dark-blue-stained areas and blind biopsy were compared. RESULTS: Mean age of the study group was 37 years, with mean BMI of 24 kg/m2. There were 24 cases of HMB, 9 of IMB, 7 of PMB, 15 of infertility, 2 of failed IUI and 3 with RSA. On chromohysteroscopy, 39(65%) cases showed light-stained endometrium (group I) and 21(35%) showed dark-stained endometrium (group II). Comparison was done between histopathology obtained through chromohysteroscopy and blind endometrial sampling. The diagnostic accuracy of chromohysteroscopy-guided endometrial biopsy in evaluation of endometrial pathology was 86.67% with sensitivity of 91.67%, specificity of 85.41%, PPV of 61.12% and NPV of 97.61% (P <0.001). CONCLUSION: Chromohysteroscopy was able to detect endometrial pathology which was missed on conventional hysteroscopy and detected more cases of endometrial pathology than blind endometrial sampling.

12.
J Mol Graph Model ; 90: 199-209, 2019 07.
Artículo en Inglés | MEDLINE | ID: mdl-31102944

RESUMEN

Xylose is an integral part of hemicellulose fraction of lignocellulosic biomass. Its abundance in the lignocellulose makes it a desirable component for converting into various value-added compounds. In this study, conversion of xylose to four linear alkanes has been discussed by five different schemes including their thermochemistry under the framework of density functional theory. Main products are butane, pentane, octane and tridecane whereas the intermediate products include furfural, tetrahydrofuran, pentane-1,5-diol, etc. The simulations have been performed at B3LYP/6-31 + g(d,p) and M06-2X/6-31 + g(d,p) level of theories in aqueous phase using SMD solvation model. Thermochemical parameters (ΔG, ΔH and Keq) are obtained at a wide range of temperature, i.e. 298-698 K. Single point energy change (ΔE) of all the conversion steps has also been calculated at M05-2X/6-311++g(3df,2p) level of theory in the aqueous phase. It is observed that temperature plays a vital role in the formation of products. At high temperature, only scheme RS 1 (i.e. xylose to butane) can proceed to produce butane. The absolute difference between two functionals, B3LYP and M06-2X, was found to be small (<2 kcal/mol) for ring opening reactions making both the functionals suitable for a qualitative study. For saturation of cyclic compounds, a large difference (>10 kcal/mol) was observed between the two functionals making higher accuracy method more suitable for them. For all other reactions, use of M06-2X can be preferred.


Asunto(s)
Alcanos/química , Agua/química , Xilosa/química , Butanos/química , Temperatura , Termodinámica
13.
Sci Rep ; 9(1): 7976, 2019 05 28.
Artículo en Inglés | MEDLINE | ID: mdl-31138851

RESUMEN

Osmotic behavior of erythrocytes is not only important clinically, but is also significant in understanding of material transport across biological membranes. It is most commonly studied through fragiligrams - plots of the degree of hemolysis as a function of extracellular osmolarity. A fundamental assumption in experimental and theoretical studies on osmolarity driven transport of water across the plasma membranes of all cells is the sigmoidal nature of their osmotic behavior. Sigmoidal data is mathematically monotonic showing either a decreasing only or an increasing only trend, but not both, within certain thresholds; beyond these thresholds the data is asymptotic or flat. Fragiligrams of erythrocytes are usually sigmoidal, with maximal hemolysis in plain solute-free water and often up to a certain extracellular hypotonic environment. In this work, we report a new discovery of non-monotonic osmotic behavior of avian erythrocytes. In contrast to the expected monotonic fragiligrams obtained for mammalian erythrocytes, fragiligrams of avian erythrocytes show non-monotonic curves. Maximal hemolysis of avian erythrocytes was not observed at the most hypotonic conditions - instead, maximal hemolysis was observed at mild hypotonic conditions. Hemolysis of avian erythrocytes first increases then decreases with increasing extracellular osmolarity. We also report that the non-monotonic fragiligrams of chicken erythrocytes are converted to the expected monotonic sigmoids subsequent to controlled extracellular trypsinization. While possibly having profound evolutionary implications for vertebrates, the findings reported in this work have a direct impact on understanding of avian physiology. Our results also compel revisiting of experimental and theoretical models for understanding material transport across biological membranes under different osmotic conditions.


Asunto(s)
Eritrocitos/efectos de los fármacos , Hemólisis/efectos de los fármacos , Cloruro de Sodio/farmacología , Agua/metabolismo , Animales , Transporte Biológico , Cloruro de Calcio/farmacología , Pollos , Eritrocitos/metabolismo , Cabras , Humanos , Concentración Osmolar , Fragilidad Osmótica , Sacarosa/farmacología , Tripsina/química
14.
JNMA J Nepal Med Assoc ; 57(220): 453-456, 2019.
Artículo en Inglés | MEDLINE | ID: mdl-32335661

RESUMEN

Restoration of excessively worn dentition is a challenging treatment procedures. It requires efficient diagnosis and treatment plan. Hobo's techniques and Pankey Mann Schuyler's philosophy are widely used and documented for full mouth rehabilitation. We have reported the case of a 56-year- old male patient who presented with the severely worn dentition and had difficulty in chewing. To rehabilitate this case Hobo's twin stage technique had been adopted as it is based on scientific data and mathematical analysis for both disocclusion and anterior guidance thus reducing chair side time. Keywords: attrited; hobo; occlusion; rehabilitation.


Asunto(s)
Rehabilitación Bucal/métodos , Atrición Dental/rehabilitación , Coronas , Restauración Dental Permanente/métodos , Dentadura Parcial , Humanos , Masculino , Persona de Mediana Edad , Ferulas Oclusales , Índice de Severidad de la Enfermedad , Dimensión Vertical
15.
J Mol Model ; 24(9): 254, 2018 Aug 27.
Artículo en Inglés | MEDLINE | ID: mdl-30151645

RESUMEN

Excessive amounts of oxy-functional groups in unprocessed bio-oil vitiate its quality as fuel; therefore, it has to be channelized to upgrading processes, and catalytic hydrodeoxygenation is one of the most suitable routes for the upgrading of crude bio-oil. In this computational work, catalytic hydrodeoxygenation (HDO) of guaiacol, which is an important phenolic compound of crude bio-oil, has been carried out using density functional theory (DFT) over a Pd(111) catalyst. The Pd(111) catalyst surface does not endorse direct eliminations of functional groups of guaiacol; however, it is found to perform excellently in stepwise dehydrogenation reactions of oxy-functionals of guaiacol according to present DFT results. The catechol product, formed through dehydrogenation of the methoxy group, followed by elimination of CH2 and association of the hydrogen atom, has been identified as one of the major products. The overall reaction rate is controlled by scission of CH2 from 2-methylene-oxy-phenol with an activation energy demand of 23.06 kcal mol-1. Further, the kinetic analysis of each reaction step involved in HDO of guaiacol over the Pd(111) catalyst surface has also been carried out at atmospheric pressure and at a wide range of temperatures from 473 to 673 K, with temperature intervals of 50 K. In the kinetic analysis part, various kinetic parameters, such as forward and reverse reaction rate constants, Arrhenius constants, and equilibrium rate constants, are reported. The kinetic modeling of the dominating reaction steps has revealed that even a lower temperature of 473 K provides a favorable reaction environment; and the temperature increment further improves the reaction favorability.

16.
Monaldi Arch Chest Dis ; 88(1): 902, 2018 03 19.
Artículo en Inglés | MEDLINE | ID: mdl-29557571

RESUMEN

Chronic obstructive pulmonary disease (COPD) is one of the few respiratory diseases which is associated with a number of comorbidities. Psychiatric disease like depression is a very important comorbidity of COPD because it decreases the feeling of wellbeing in the patient and also interferes with the compliance with medication thereby increasing the risk of hospitalization in the COPD patient. A cross-sectional study was done for two years in the department of pulmonary medicine at Era's Lucknow medical college and hospital, Lucknow. A total of 150 patients were enrolled for the study after a clinico-radiological screening for the diagnosis confirmed on spirometry. After the confirmation of the diagnosis of COPD in these patients, they were screened for depression using the PHQ-9 scale in our department of pulmonary medicine. The confirmation of the diagnosis of depression was done according to the ICD-10 guidelines for depression and the severity of depression was graded using HAM-D scale in the department of psychiatry at our institute. The most common age group enrolled in the study was 51-60 years of age (40.67%). One hundred and fifteen patients (76.7%) of the enrolled patients were smokers while the remaining 35 patients (23.3%) were non-smokers. Depression was found to be present in 46 out of the total 150 patients in the study. Thus, the prevalence of depression in our study was 30.67%. Depression was seen in COPD groups B,C and D. Out of the 46 patients of COPD with depression,18 had mild depression (39.13%), 26 had moderate depression (56.52%) and 2 had severe depression (4.35%). Hence, depression of all grades (i.e., mild, moderate and severe depression) is seen in COPD groups B, C and D.


Asunto(s)
Depresión/epidemiología , Enfermedad Pulmonar Obstructiva Crónica/complicaciones , Enfermedad Pulmonar Obstructiva Crónica/psicología , Estudios Transversales , Depresión/diagnóstico , Depresión/etiología , Femenino , Hospitalización/estadística & datos numéricos , Humanos , India/epidemiología , Masculino , Persona de Mediana Edad , Prevalencia , Enfermedad Pulmonar Obstructiva Crónica/diagnóstico por imagen , Enfermedad Pulmonar Obstructiva Crónica/fisiopatología , Factores de Riesgo , Índice de Severidad de la Enfermedad , Espirometría/métodos
17.
J Mol Graph Model ; 81: 134-145, 2018 05.
Artículo en Inglés | MEDLINE | ID: mdl-29550745

RESUMEN

In the pyrolysis of Sphagnum moss species, p-isopropenylphenol (p-IPP) is a major product which has been considered in this density functional theory based computational study for its conversion to various products such as benzene, phenol, 4-propenylphenol, indan-5-ol, 4-propylcyclohexanone, 4-cyclopropylphenol, etc. In order to achieve these products, eight different reaction schemes are performed using B3LYP/6-311 + g (d,p) level of theory. Further, thermodynamic properties such as reaction free energies and reaction enthalpies associated with these eight reaction schemes are developed in the temperature range of 298-898 K. The reaction schemes that include partial hydrogenation of the aromatic carbon followed by elimination of functional groups are found to demand low activation energy. The production of benzene from p-IPP with isopropenylbenzene as an intermediate product requiring only 19.83 kcal/mol of activation energy is the rate limiting reaction step. Indan-5-ol produced from p-IPP is validated with the literature results and found excellent agreement between two results. Furthermore, the temperature is found to have phenomenal effect in each reaction scheme.


Asunto(s)
Gases/química , Modelos Químicos , Fenol/química , Pirólisis , Teoría Cuántica , Modelos Moleculares , Estructura Molecular , Termodinámica
18.
ACS Omega ; 3(8): 8546-8552, 2018 Aug 31.
Artículo en Inglés | MEDLINE | ID: mdl-31458984

RESUMEN

Bio-oil produced from pyrolysis of lignocellulosic biomass consists of several hundreds of oxygenated compounds resulting in a very low quality with poor characteristics of low stability, low pH, low stability, low heating value, high viscosity, and so on. Therefore, to use bio-oil as fuel for vehicles, it needs to be upgraded using a promising channel. On the other hand, raw bio-oil can also be a good source of many specialty chemicals, e.g., 5-HMF, levulinic acid, cyclohexanone, phenol, etc. In this study, 2-hydroxybenzaldehyde, a bio-oil component that represents the phenolic fraction of bio-oil, is considered as a model compound and its ring saturation is carried out to produce cyclohexane and cyclohexanone along with various other intermediate products using density functional theory. The geometry optimization, vibrational frequency, and intrinsic reaction coordinate calculations are carried out at the B3LYP/6-311+g(d,p) level of theory. Furthermore, a single point energy calculation is performed at each structure at the M06-2X/6-311+g(3df,2p)//B3LYP/6-311+g(d,p) level of theory to accurately predict the energy requirements. According to bond dissociation energy calculations, the dehydrogenation of formyl group of 2-hydroxybenzaldehyde is the least energy demanding bond cleavage. The production of cyclohexane has a lower energy of activation than the production of cyclohexanone.

19.
Pregnancy Hypertens ; 10: 74-82, 2017 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-29153695

RESUMEN

BACKGROUND: This study aims to study predictors of posterior encephalopathy syndrome in eclampsia and the impact of posterior encephalopathy syndrome on outcome. MATERIAL AND METHODS: This prospective study enrolled consecutive women with eclampsia. These women were subjected to magnetic resonance imaging of the brain. Predictors of posterior encephalopathy syndrome were determined using univariate, followed by multivariate, analysis. Women were followed for 30days. Maternal outcome was assessed using modified Rankin scale (mRS). RESULTS: One hundred and four consecutive women with eclampsia were included. Seventy-four women with eclampsia had posterior encephalopathy syndrome. Predictors of posterior encephalopathy syndrome were primigravida status, altered sensorium, impairment of vision, vomiting, status epilepticus, unregistered status in a regular ante-natal check-up programme, lactate dehydrogenase, uric acid, low platelet count and deranged kidney and liver functions on univariate analysis. On multivariate analysis, vision impairment, primigravida status, and unbooked pregnancy were independent factors. Posterior encephalopathy syndrome was associated with a poor maternal and fetal outcome. CONCLUSION: Vision impairment, primigravida status, and unbooked pregnancy are independent predictors of posterior encephalopathy syndrome, that in turn is associated with a poor maternal and fetal outcome.


Asunto(s)
Eclampsia , Síndrome de Leucoencefalopatía Posterior/diagnóstico , Diagnóstico Prenatal , Adulto , Árboles de Decisión , Femenino , Humanos , Síndrome de Leucoencefalopatía Posterior/sangre , Síndrome de Leucoencefalopatía Posterior/diagnóstico por imagen , Embarazo , Resultado del Embarazo , Estudios Prospectivos , Adulto Joven
20.
Environ Health Prev Med ; 22(1): 17, 2017 Apr 04.
Artículo en Inglés | MEDLINE | ID: mdl-29165120

RESUMEN

BACKGROUND: Fluorosis, caused by ingestion of excessive amount of fluoride through food or water, is a major public health problem in India. This study was undertaken to quantify the dental fluorosis burden among school going adolescents and to find factors associated with dental fluorosis in Kolar taluka, Karnataka, India. METHODS: A total of 1026 high school adolescents (12-17 years) were enrolled from different schools selected by stratified sampling method. Dental examination was done to record Dean's fluorosis index, and socio-demographic, food consumption and oral hygiene data were recorded using a pre-tested structured questionnaire. Fluoride content was measured using Orion apparatus, and Community Fluorosis Index (CFI) was calculated from drinking water samples from various drinking sources. Multivariable analysis with generalized estimating equation (GEE) regression model was used to explore the factors associated with dental fluorosis. RESULT: Among 1026 enrolled students, 64.3% of adolescents were detected with dental fluorosis; more than 50% had either severe or moderate fluorosis according to the Dean's Fluorosis Index and Community Fluorosis Index (CFI). The majority of affected students were from government schools. The significantly associated factors with dental fluorosis were living in study area for more than 5 years and studying in government school. A strong positive correlation between the amount of fluoride content in drinking water sample collected and CFI was observed (rho = 0.570). CONCLUSION: Prevalence of dental fluorosis was considerably high, affecting nearly two-thirds of the students, and mainly in government schools and long-term residents of the area. Health education and community awareness for preventing fluorosis, apart from setting-up defluoridation plants or training for home based defluoridation techniques in study villages, should be considered.


Asunto(s)
Exposición a Riesgos Ambientales/análisis , Fluoruros/análisis , Fluorosis Dental/epidemiología , Contaminantes Químicos del Agua/análisis , Adolescente , Niño , Estudios Transversales , Monitoreo del Ambiente , Femenino , Fluorosis Dental/etiología , Humanos , India/epidemiología , Masculino , Análisis Multivariante , Prevalencia , Análisis de Regresión , Factores de Riesgo
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