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1.
PLoS One ; 17(7): e0270553, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35793366

RESUMO

BACKGROUND: Price forecasting of perishable crop like vegetables has importance implications to the farmers, traders as well as consumers. Timely and accurate forecast of the price helps the farmers switch between the alternative nearby markets to sale their produce and getting good prices. The farmers can use the information to make choices around the timing of marketing. For forecasting price of agricultural commodities, several statistical models have been applied in past but those models have their own limitations in terms of assumptions. METHODS: In recent times, Machine Learning (ML) techniques have been much successful in modeling time series data. Though, numerous empirical studies have shown that ML approaches outperform time series models in forecasting time series, but their application in forecasting vegetables prices in India is scared. In the present investigation, an attempt has been made to explore efficient ML algorithms e.g. Generalized Neural Network (GRNN), Support Vector Regression (SVR), Random Forest (RF) and Gradient Boosting Machine (GBM) for forecasting wholesale price of Brinjal in seventeen major markets of Odisha, India. RESULTS: An empirical comparison of the predictive accuracies of different models with that of the usual stochastic model i.e. Autoregressive integrated moving average (ARIMA) model is carried out and it is observed that ML techniques particularly GRNN performs better in most of the cases. The superiority of the models is established by means of Model Confidence Set (MCS), and other accuracy measures such as Mean Error (ME), Root Mean Square Error (RMSE), Mean Absolute Error (MAE) and Mean Absolute Prediction Error (MAPE). To this end, Diebold-Mariano test is performed to test for the significant differences in predictive accuracy of different models. CONCLUSIONS: Among the machine learning techniques, GRNN performs better in all the seventeen markets as compared to other techniques. RF performs at par with GRNN in four markets. The accuracies of other techniques such as SVR, GBM and ARIMA are not up to the mark.


Assuntos
Solanum melongena , Previsões , Humanos , Índia , Aprendizado de Máquina , Redes Neurais de Computação
2.
Braz. j. biol ; 82: 1-11, 2022. map, tab, graf
Artigo em Inglês | LILACS, VETINDEX | ID: biblio-1468489

RESUMO

This investigation presents the food and feeding activity of and endangered riverine catfish Rita rita, during February 2017-January 2018. A total of 225 fish individuals was analyzed for stomach contents by characterizing the dominant food items and morphometric features. The results divulged ten major food items consumed, preferably fish scales and eggs, teleost fishes, copepods, cladocerans, rotifers, and mollusks. Total length and body weight of fish varied between 9-34 cm (20.53 ± 6.90 cm) and 10-400 g (9125.94 ± 102.07 g), respectively. The index of relative importance (IRI%) showed the importance of rotifers over the other food items. Morisita's index of diet overlap indicated seasonal variations in catfish diets with summer and monsoon displaying the least overlap, while maximum overlap during monsoon and winter seasons. The non-metric multidimensional scaling (nMDS) indicated the close association between the food items available during summer and winter seasons with a significant difference among the seasons (ANOSIM, R = 0.638, P = 0.013). Levin’s niche breadth index arranged in the order of 0.88>0.81>0.78>0.63>0.43 for the size classes of V, IV, III, II and I, respectively. The PCA explained 95.39% of the total variance among the food items and fish size groups. Small-sized fish individuals displayed a greater correlation with food items suitable for their mouth size. In conclusion, the variety and frequency of food items recorded indicated considerable feeding plasticity and opportunistic feeding behavior with a shift from carnivorous to omnivorous feeding nature. This study could render useful information on the food and feeding habits of R. rita and provide background for preparing its diet for future aquaculture practices.


Esta investigação apresenta a alimentação e a atividade alimentar de bagres ribeirinhos Rita rita ameaçados de extinção, no período de fevereiro de 2017 a janeiro de 2018. Um total de 225 peixes foi analisado quanto ao conteúdo do estômago, caracterizando os itens alimentares dominantes e as características morfométricas. Os resultados apresentaram dez principais itens alimentares consumidos, preferencialmente escamas e ovos de peixes, teleósteos, copépodes, cladóceros, rotíferos e moluscos. O comprimento total e o peso corporal dos peixes variaram entre 9-34 cm (20,53 ± 6,90 cm) e 10-400 g (9125,94 ± 102,07 g), respectivamente. O índice de importância relativa (IRI%) mostrou a importância dos rotíferos sobre os demais itens alimentares. O índice de sobreposição de dieta de Morisita indicou variações sazonais nas dietas de bagres no verão e nas monções, exibindo a menor sobreposição, enquanto a sobreposição máxima ocorreu durante as estações das monções e do inverno. A escala multidimensional não métrica (nMDS) indicou a estreita associação entre os itens alimentares disponíveis durante o verão e o inverno, com uma diferença significativa entre as estações (ANOSIM, R = 0,638, P = 0,013). O índice de amplitude de nicho de Levin foi organizado na ordem de 0,88 > 0,81 > 0,78 > 0,63 > 0,43 para as classes de tamanho de V, IV, III, II e I, respectivamente. O PCA explicou 95,39% da variação total entre os itens alimentares e os grupos de tamanho de peixes. Peixes de pequeno porte apresentaram maior correlação com itens alimentares adequados ao tamanho da boca. Em conclusão, a variedade e a frequência dos itens alimentares registrados indicaram plasticidade alimentar considerável e comportamento alimentar oportunista, com uma mudança da natureza carnívora para onívora. Este estudo pode fornecer informações úteis sobre os hábitos alimentares e de alimentação de R. rita e apresentar subsídios para a preparação de sua dieta em futuras práticas de aquicultura.


Assuntos
Animais , Comportamento Alimentar , Dieta/veterinária , Peixes-Gato/crescimento & desenvolvimento
3.
Braz. j. biol ; 822022.
Artigo em Inglês | LILACS-Express | LILACS, VETINDEX | ID: biblio-1468676

RESUMO

Abstract This investigation presents the food and feeding activity of and endangered riverine catfish Rita rita, during February 2017-January 2018. A total of 225 fish individuals was analyzed for stomach contents by characterizing the dominant food items and morphometric features. The results divulged ten major food items consumed, preferably fish scales and eggs, teleost fishes, copepods, cladocerans, rotifers, and mollusks. Total length and body weight of fish varied between 9-34 cm (20.53 ± 6.90 cm) and 10-400 g (9125.94 ± 102.07 g), respectively. The index of relative importance (IRI%) showed the importance of rotifers over the other food items. Morisitas index of diet overlap indicated seasonal variations in catfish diets with summer and monsoon displaying the least overlap, while maximum overlap during monsoon and winter seasons. The non-metric multidimensional scaling (nMDS) indicated the close association between the food items available during summer and winter seasons with a significant difference among the seasons (ANOSIM, R = 0.638, P = 0.013). Levins niche breadth index arranged in the order of 0.88>0.81>0.78>0.63>0.43 for the size classes of V, IV, III, II and I, respectively. The PCA explained 95.39% of the total variance among the food items and fish size groups. Small-sized fish individuals displayed a greater correlation with food items suitable for their mouth size. In conclusion, the variety and frequency of food items recorded indicated considerable feeding plasticity and opportunistic feeding behavior with a shift from carnivorous to omnivorous feeding nature. This study could render useful information on the food and feeding habits of R. rita and provide background for preparing its diet for future aquaculture practices.


Resumo Esta investigação apresenta a alimentação e a atividade alimentar de bagres ribeirinhos Rita rita ameaçados de extinção, no período de fevereiro de 2017 a janeiro de 2018. Um total de 225 peixes foi analisado quanto ao conteúdo do estômago, caracterizando os itens alimentares dominantes e as características morfométricas. Os resultados apresentaram dez principais itens alimentares consumidos, preferencialmente escamas e ovos de peixes, teleósteos, copépodes, cladóceros, rotíferos e moluscos. O comprimento total e o peso corporal dos peixes variaram entre 9-34 cm (20,53 ± 6,90 cm) e 10-400 g (9125,94 ± 102,07 g), respectivamente. O índice de importância relativa (IRI%) mostrou a importância dos rotíferos sobre os demais itens alimentares. O índice de sobreposição de dieta de Morisita indicou variações sazonais nas dietas de bagres no verão e nas monções, exibindo a menor sobreposição, enquanto a sobreposição máxima ocorreu durante as estações das monções e do inverno. A escala multidimensional não métrica (nMDS) indicou a estreita associação entre os itens alimentares disponíveis durante o verão e o inverno, com uma diferença significativa entre as estações (ANOSIM, R = 0,638, P = 0,013). O índice de amplitude de nicho de Levin foi organizado na ordem de 0,88 > 0,81 > 0,78 > 0,63 > 0,43 para as classes de tamanho de V, IV, III, II e I, respectivamente. O PCA explicou 95,39% da variação total entre os itens alimentares e os grupos de tamanho de peixes. Peixes de pequeno porte apresentaram maior correlação com itens alimentares adequados ao tamanho da boca. Em conclusão, a variedade e a frequência dos itens alimentares registrados indicaram plasticidade alimentar considerável e comportamento alimentar oportunista, com uma mudança da natureza carnívora para onívora. Este estudo pode fornecer informações úteis sobre os hábitos alimentares e de alimentação de R. rita e apresentar subsídios para a preparação de sua dieta em futuras práticas de aquicultura.

4.
Braz. j. biol ; 82: e237040, 2022. tab, graf
Artigo em Inglês | LILACS, VETINDEX | ID: biblio-1249252

RESUMO

This investigation presents the food and feeding activity of and endangered riverine catfish Rita rita, during February 2017-January 2018. A total of 225 fish individuals was analyzed for stomach contents by characterizing the dominant food items and morphometric features. The results divulged ten major food items consumed, preferably fish scales and eggs, teleost fishes, copepods, cladocerans, rotifers, and mollusks. Total length and body weight of fish varied between 9-34 cm (20.53 ± 6.90 cm) and 10-400 g (9125.94 ± 102.07 g), respectively. The index of relative importance (IRI%) showed the importance of rotifers over the other food items. Morisita's index of diet overlap indicated seasonal variations in catfish diets with summer and monsoon displaying the least overlap, while maximum overlap during monsoon and winter seasons. The non-metric multidimensional scaling (nMDS) indicated the close association between the food items available during summer and winter seasons with a significant difference among the seasons (ANOSIM, R = 0.638, P = 0.013). Levin's niche breadth index arranged in the order of 0.88>0.81>0.78>0.63>0.43 for the size classes of V, IV, III, II and I, respectively. The PCA explained 95.39% of the total variance among the food items and fish size groups. Small-sized fish individuals displayed a greater correlation with food items suitable for their mouth size. In conclusion, the variety and frequency of food items recorded indicated considerable feeding plasticity and opportunistic feeding behavior with a shift from carnivorous to omnivorous feeding nature. This study could render useful information on the food and feeding habits of R. rita and provide background for preparing its diet for future aquaculture practices.


Esta investigação apresenta a alimentação e a atividade alimentar de bagres ribeirinhos Rita rita ameaçados de extinção, no período de fevereiro de 2017 a janeiro de 2018. Um total de 225 peixes foi analisado quanto ao conteúdo do estômago, caracterizando os itens alimentares dominantes e as características morfométricas. Os resultados apresentaram dez principais itens alimentares consumidos, preferencialmente escamas e ovos de peixes, teleósteos, copépodes, cladóceros, rotíferos e moluscos. O comprimento total e o peso corporal dos peixes variaram entre 9-34 cm (20,53 ± 6,90 cm) e 10-400 g (9125,94 ± 102,07 g), respectivamente. O índice de importância relativa (IRI%) mostrou a importância dos rotíferos sobre os demais itens alimentares. O índice de sobreposição de dieta de Morisita indicou variações sazonais nas dietas de bagres no verão e nas monções, exibindo a menor sobreposição, enquanto a sobreposição máxima ocorreu durante as estações das monções e do inverno. A escala multidimensional não métrica (nMDS) indicou a estreita associação entre os itens alimentares disponíveis durante o verão e o inverno, com uma diferença significativa entre as estações (ANOSIM, R = 0,638, P = 0,013). O índice de amplitude de nicho de Levin foi organizado na ordem de 0,88 > 0,81 > 0,78 > 0,63 > 0,43 para as classes de tamanho de V, IV, III, II e I, respectivamente. O PCA explicou 95,39% da variação total entre os itens alimentares e os grupos de tamanho de peixes. Peixes de pequeno porte apresentaram maior correlação com itens alimentares adequados ao tamanho da boca. Em conclusão, a variedade e a frequência dos itens alimentares registrados indicaram plasticidade alimentar considerável e comportamento alimentar oportunista, com uma mudança da natureza carnívora para onívora. Este estudo pode fornecer informações úteis sobre os hábitos alimentares e de alimentação de R. rita e apresentar subsídios para a preparação de sua dieta em futuras práticas de aquicultura.


Assuntos
Humanos , Animais , Peixes-Gato , Estações do Ano , Comportamento Alimentar , Conteúdo Gastrointestinal , Hábitos
5.
Trop Biomed ; 38(3): 360-365, 2021 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-34508344

RESUMO

COVID-19, caused by the SARS-CoV-2 virus, can lead to massive inflammation in the gastrointestinal tract causing severe clinical symptoms. SARS-CoV-2 infects lungs after binding its spike proteins with alveolar angiotensin-converting enzyme 2 (ACE2), and it also triggers inflammation in the gastrointestinal tract. SARS-CoV-2 invades the gastrointestinal tract by interacting with Toll-like receptor-4 (TLR4) that induces the expression of ACE2. The influx of ACE2 facilitates cellular binding of more SARS-CoV-2 and causes massive gastrointestinal inflammation leading to diarrhea. Diarrhea prior to COVID-19 infection or COVID-19-induced diarrhea reportedly ends up in a poor prognosis for the patient. Flavonoids are part of traditional remedies for gastrointestinal disorders. Preclinical studies show that flavonoids can prevent infectious diarrhea. Recent studies show flavonoids can inhibit the multiplication of SARS-CoV-2. In combination with vitamin D, flavonoids possibly activate nuclear factor erythroid-derived-2-related factor 2 that downregulates ACE2 expression in cells. We suggest that flavonoids have the potential to prevent SARS-CoV-2 induced diarrhea.


Assuntos
COVID-19/complicações , Diarreia/prevenção & controle , Flavonoides/uso terapêutico , SARS-CoV-2 , Enzima de Conversão de Angiotensina 2/fisiologia , Diarreia/etiologia , Humanos
6.
Braz J Biol ; 82: e237040, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34105668

RESUMO

This investigation presents the food and feeding activity of and endangered riverine catfish Rita rita, during February 2017-January 2018. A total of 225 fish individuals was analyzed for stomach contents by characterizing the dominant food items and morphometric features. The results divulged ten major food items consumed, preferably fish scales and eggs, teleost fishes, copepods, cladocerans, rotifers, and mollusks. Total length and body weight of fish varied between 9-34 cm (20.53 ± 6.90 cm) and 10-400 g (9125.94 ± 102.07 g), respectively. The index of relative importance (IRI%) showed the importance of rotifers over the other food items. Morisita's index of diet overlap indicated seasonal variations in catfish diets with summer and monsoon displaying the least overlap, while maximum overlap during monsoon and winter seasons. The non-metric multidimensional scaling (nMDS) indicated the close association between the food items available during summer and winter seasons with a significant difference among the seasons (ANOSIM, R = 0.638, P = 0.013). Levin's niche breadth index arranged in the order of 0.88>0.81>0.78>0.63>0.43 for the size classes of V, IV, III, II and I, respectively. The PCA explained 95.39% of the total variance among the food items and fish size groups. Small-sized fish individuals displayed a greater correlation with food items suitable for their mouth size. In conclusion, the variety and frequency of food items recorded indicated considerable feeding plasticity and opportunistic feeding behavior with a shift from carnivorous to omnivorous feeding nature. This study could render useful information on the food and feeding habits of R. rita and provide background for preparing its diet for future aquaculture practices.


Assuntos
Peixes-Gato , Animais , Comportamento Alimentar , Conteúdo Gastrointestinal , Hábitos , Humanos , Estações do Ano
7.
Trop Biomed ; 38(4): 540-551, 2021 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-35001920

RESUMO

Despite the huge loss of lives and massive disruption of the world economy by the COVID -19 pandemic caused by SARS -CoV-2, scientists are yet to come out with an effective therapeutic against this viral disease . Several vaccines have obtained 'emergency approval ', but difficulties are being faced in the even distribution of vaccines amongst high- and low- income countries . On top of it, comorbidities associated with COVID -19 like diabetes, hypertension and malaria can seriously impede the treatment of the main disease, thus increasing the fatality rate . This is more so in the context of sub -Saharan African and south Asian countries . Our objective was to demonstrate that a single plant containing different phytoconstituents may be used for treatment of COVID -19 and comorbidities . Towards initial selection of a plant, existing scientific literature was scanned for reported relevant traditional uses, phytochemicals and pharmacological activities of a number of plants and their phytoconstituents pertaining to treatment of COVID-19 symptoms and comorbidities. Molecular docking studies were then performed with phytochemicals of the selected plant and SARS-CoV-2 components - Mpro, and spike protein receptor binding domain and hACE2 interface using AutoDock V ina. We showed that crude extracts of an indigenous African plant, Costus afer having traditional antidiabetic and antimalarial uses, has phytochemicals with high binding affinities for Mpro, and /or spike protein receptor binding domain and hACE2 interface; the various phytochemicals with predicted high binding energies include aferoside C, dibutyl phthalate, nerolidol, suginal, and ± -terpinene, making them potential therapeutics for COVID -19. The results suggest that crude extracts and phytochemicals of C. afer can function as a treatment modality for COVID -19 and comorbidities like especially diabetes and malaria .


Assuntos
Tratamento Farmacológico da COVID-19 , Costus , Preparações de Plantas/uso terapêutico , Enzima de Conversão de Angiotensina 2 , Sítios de Ligação , Comorbidade , Proteases 3C de Coronavírus , Costus/química , Humanos , Simulação de Acoplamento Molecular , Pandemias , Compostos Fitoquímicos/farmacologia , Glicoproteína da Espícula de Coronavírus
8.
Tropical Biomedicine ; : 360-365, 2021.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-905802

RESUMO

@#COVID-19, caused by the SARS-CoV-2 virus, can lead to massive inflammation in the gastrointestinal tract causing severe clinical symptoms. SARS-CoV-2 infects lungs after binding its spike proteins with alveolar angiotensin-converting enzyme 2 (ACE2), and it also triggers inflammation in the gastrointestinal tract. SARS-CoV-2 invades the gastrointestinal tract by interacting with Toll-like receptor-4 (TLR4) that induces the expression of ACE2. The influx of ACE2 facilitates cellular binding of more SARS-CoV-2 and causes massive gastrointestinal inflammation leading to diarrhea. Diarrhea prior to COVID-19 infection or COVID-19-induced diarrhea reportedly ends up in a poor prognosis for the patient. Flavonoids are part of traditional remedies for gastrointestinal disorders. Preclinical studies show that flavonoids can prevent infectious diarrhea. Recent studies show flavonoids can inhibit the multiplication of SARS-CoV-2. In combination with vitamin D, flavonoids possibly activate nuclear factor erythroid-derived-2-related factor 2 that downregulates ACE2 expression in cells. We suggest that flavonoids have the potential to prevent SARS-CoV-2 induced diarrhea.

9.
Tropical Biomedicine ; : 540-551, 2021.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-935085

RESUMO

@#Despite the huge loss of lives and massive disruption of the world economy by the COVID-19 pandemic caused by SARS-CoV-2, scientists are yet to come out with an effective therapeutic against this viral disease. Several vaccines have obtained ‘emergency approval’, but difficulties are being faced in the even distribution of vaccines amongst high- and lowincome countries. On top of it, comorbidities associated with COVID-19 like diabetes, hypertension and malaria can seriously impede the treatment of the main disease, thus increasing the fatality rate. This is more so in the context of sub-Saharan African and south Asian countries. Our objective was to demonstrate that a single plant containing different phytoconstituents may be used for treatment of COVID-19 and comorbidities. Towards initial selection of a plant, existing scientific literature was scanned for reported relevant traditional uses, phytochemicals and pharmacological activities of a number of plants and their phytoconstituents pertaining to treatment of COVID-19 symptoms and comorbidities. Molecular docking studies were then performed with phytochemicals of the selected plant and SARS-CoV-2 components – Mpro, and spike protein receptor binding domain and hACE2 interface using AutoDock Vina. We showed that crude extracts of an indigenous African plant, Costus afer having traditional antidiabetic and antimalarial uses, has phytochemicals with high binding affinities for Mpro, and/or spike protein receptor binding domain and hACE2 interface; the various phytochemicals with predicted high binding energies include aferoside C, dibutyl phthalate, nerolidol, suginal, and ±-terpinene, making them potential therapeutics for COVID-19. The results suggest that crude extracts and phytochemicals of C. afer can function as a treatment modality for COVID-19 and comorbidities like especially diabetes and malaria.

10.
Bioprocess Biosyst Eng ; 42(5): 807-815, 2019 May.
Artigo em Inglês | MEDLINE | ID: mdl-30707292

RESUMO

Co-polymerization of microbial polyesters, polyhydroxyalkanoates (PHAs), with synthetic polymers has become an established and promising tool in the recent past for improving the material and biological properties of the biopolyesters. Bacillus cereus RCL 02, a leaf endophytic bacterium of the oleaginous plant Ricinus communis L., has been reported to produce a significant amount of poly(3-hydroxybutyrate) [P(3HB)] and poly(3-hydroxybutyrate-co-3-hydroxyvalerate) [P(3HB-co-3HV)] under batch cultivation. The present study demonstrates the synthesis and accumulation of poly(3-hydroxybutyrate-co-3-hydroxyvalerate)-polyethylene glycol [P(3HB-co-3HV)-PEG] co-polymer by the isolate RCL 02 in glucose, valeric acid, and PEG-200 supplemented mineral salts medium following dual-step cultivation. The identity of P(3HB-co-3HV)-PEG co-polymer so produced has been confirmed by X-ray diffraction (XRD) analysis, Fourier-transform infrared (FTIR), and proton nuclear magnetic resonance (1H NMR) spectroscopic studies, and the purified co-polymer was found to be composed of 3.2 mol% ethylene glycol (EG) and 8.4 mol% 3HV along with 3HB. While the thermogravimetric analysis (TGA) revealed that P(3HB-co-3HV)-PEG films degraded at 269.32 °C, differential scanning calorimetry (DSC) recorded the melting peak of the co-polymer at 163.8 °C. This study emphasized to explore the endophytic Bacillus spp. for production of P(3HB-co-3HV)-PEG co-polymers with improved material properties which may find possible application for biomedical purposes.


Assuntos
Bacillus cereus/metabolismo , Poliésteres/metabolismo , Polietilenoglicóis/metabolismo , Poli-Hidroxialcanoatos/biossíntese , Poliésteres/química , Polietilenoglicóis/química , Poli-Hidroxialcanoatos/química
11.
J Nanosci Nanotechnol ; 19(2): 646-654, 2019 02 01.
Artigo em Inglês | MEDLINE | ID: mdl-30360136

RESUMO

Metal organic frameworks (MOFs), MIL-101-Fe (Materials of Institute Lavoisier), have been synthesized by solvothermal method. The as-synthesized MIL-101-Fe particles are observed to have hexagonal shaped morphology with average particle size ranging from 480 to 500 nm. The functionalization of the surface of as-synthesized MIL-101-Fe particles was done with the integration of amine group into the framework to facilitate the conjugation of the drug and other entities. Further, the drug conjugated MOF particles were coated with polyethyleneglycol (PEG) layer so as to extend the drug release time by controlling the faster pH mediated MOF degradation in biological buffers. pH dependent drug release study of the MOF particles was carried out at 3 different pH values, i.e., 5, 6 and 7.4. The drug release profiles showed that the drug released from NH2-MIL-101-Fe takes less time which was further increased after coating the NH2-MIL-101-Fe with polyethyleneglycol (PEG@Drug@NH2-MIL-101-Fe). This confirmed that PEG coated particles have great stability for drug delivery application.


Assuntos
Estruturas Metalorgânicas , Preparações Farmacêuticas , Sistemas de Liberação de Medicamentos , Concentração de Íons de Hidrogênio , Ferro
12.
J Chem Theory Comput ; 14(3): 1321-1332, 2018 Mar 13.
Artigo em Inglês | MEDLINE | ID: mdl-29345938

RESUMO

In this work a particle swarm optimization (PSO) algorithm was used to fit an analytic potential energy function to I-(H2O) intermolecular potential energy curves calculated with DFT/B97-1 theory. The analytic function is a sum of two-body terms, each written as a generalized sum of Buckingham and Lennard-Jones terms with only six parameters. Two models were used to describe the two-body terms between I- and H2O: a three-site model H2O and a four-site model including a ghost atom. The fits are compared with those obtained with a genetic/nonlinear least-squares algorithm. The ghost atom model significantly improves the fitting accuracy for both algorithms. The PSO fits are significantly more accurate and much less time-consuming than those obtained with the genetic/nonlinear least-squares algorithm. Eight I----H2O potential energy curves, fit with the PSO algorithm for the three- and four-site models, have RMSE of 1.37 and 0.22 kcal/mol and compute times of ∼20 and ∼68 min, respectively. The PSO fit for the four-site model is quite adequate for determining densities of states and partition functions for I-(H2O) n clusters at high energies and temperatures, respectively. The PSO algorithm was also applied to the eight potential energy curves, with the four-site model, for a short time ∼8 min fitting. The RMSE was small, only 0.37 kcal/mol, showing the high efficiency of the PSO algorithm with retention of a good fitting accuracy. The PSO algorithm is a good choice for fitting analytic potential energy functions, and for the work presented here was able to find an adequate fit to an I-(H2O) analytic intermolecular potential with a small number of parameters.

13.
RSC Adv ; 8(57): 32684-32694, 2018 Sep 18.
Artigo em Inglês | MEDLINE | ID: mdl-35547677

RESUMO

Vehicle-generated toxic pollutants are composed of gaseous smoke and particulate byproducts accumulated as a black substance at its exhaust. This particulate matter (soot) is utilized for the green synthesis of highly stable, non-toxic, environment friendly, carbon quantum dots (CQD). The CQDs are synthesized via the simple hydrothermal route in the absence (C1) and presence (C2) of oxidants. The as-synthesized CQDs are amine functionalized using ethylenediamine. The amine functionalized CQDs (C1N and C2N) are explored for trinitrotoluene detection. From transmission electron microscopy, the average size of C1 and C2 was found to be about 4.2 nm and 5.6 nm respectively. The incorporation of amine groups lead to an increase in quantum yields from 5.63% to 12.7% for C1 and from 3.25% to 8.48% for C2 QDs. A limit of detection (LOD) of 13 ppb was displayed by C1N while the LODs of 11 ppb and 4.97 ppb were delivered by C2N at λ ex 370 nm and λ ex 420 nm respectively. The Stern-Volmer constant for C1N is 2.02 × 106 M-1 while for C2N at λ ex 370 nm and λ ex 420 nm is 0.38 × 106 M-1 and 0.48 × 106 M-1 respectively. Furthermore, C1N presents high selectivity for TNT compared to C2N. Owing to their higher luminescence, C1N particles are successfully demonstrated for their applicability in intracellular TNT detection.

14.
Anal Biochem ; 523: 1-9, 2017 04 15.
Artigo em Inglês | MEDLINE | ID: mdl-28161099

RESUMO

The widespread use of pesticides has immense effect on increased crop productions. However, they are also responsible for posing detrimental health hazards and/or for contaminating the environment with chemical residues. A routine and an on-field detection of pesticide residues in different food, water, and soil samples has become a need of the hour for which biosensors can offer a viable alternative. The present work reports a functionalized graphene quantum dot (GQD) based screen printed electrochemical immunosensor for the detection of parathion. The application of GQDs has permitted the realization of a sensitive, robust, and reproducible sensor unlike those carried out earlier for the similar purposes. This immunosensor exhibited a dynamic linear response for parathion within the range of 0.01-106 ng/L with a very low detection limit of 46 pg/L. According to the analysis of potential interferences, the proposed sensor was specifically detecting parathion even in the presence of its metabolite, paraoxon. The investigations of the proposed sensing approach with respect to stability, response reproducibility, and regeneration have fully supported its potential practical applicability.


Assuntos
Anticorpos Imobilizados/química , Técnicas Biossensoriais , Técnicas Eletroquímicas/métodos , Grafite/química , Inseticidas/análise , Paration/análise , Impressão/métodos , Pontos Quânticos , Humanos , Limite de Detecção , Impressão/instrumentação
15.
Biosens Bioelectron ; 83: 339-46, 2016 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-27135939

RESUMO

Due to indiscriminate use of pesticides, there is a growing need to develop sensors that can sensitively detect the trace amount of pesticides in food and water samples. Parathion, identified as an acetylcholinesterase inhibitor, had been one of the most widely used pesticides throughout the world. Symptoms of its poisoning are found to be diverse enough to include nausea, vomiting, diarrhea, muscle cramping/twitching, and shortness of breath. In this work, a graphene based impedimetric immunosensor has been fabricated and employed for highly sensitive and specific detection of parathion. The fabrication proceeded through the modification of the screen-printed carbon electrodes (SPE) with graphene sheets, followed by their functionalization with 2-aminobenzyl amine (2-ABA) via an electrochemical reaction. These amine functionalized graphene electrodes were then bio-interfaced with the anti-parathion antibodies. In the impedimetric mode, this biosensor detected parathion in a broad linear range, i.e. 0.1-1000ng/L with a very low limit of detection (52pg/L). It also showed high selectivity towards parathion in the presence of malathion, paraoxon, and fenitrothion. The viability of this biosensor was demonstrated by detecting parathion in real samples (e.g., tomato and carrot) and through cross-calibration against HPLC.


Assuntos
Técnicas Eletroquímicas/instrumentação , Análise de Alimentos/instrumentação , Contaminação de Alimentos/análise , Grafite/química , Paration/análise , Praguicidas/análise , Inibidores da Colinesterase/análise , Impedância Elétrica , Eletrodos , Imunoensaio/instrumentação , Limite de Detecção
16.
Chemosphere ; 156: 69-75, 2016 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-27176938

RESUMO

Arthrobacter sp. SUK 1201, a chromate resistant and reducing bacterium isolated from chromite mine overburden of Sukinda valley, Odisha, India has been evaluated for its hexavalent chromium [Cr(VI)] reduction potential using cell-free culture filtrate as extracellular chromate reductase enzyme. Production of the enzyme was enhanced in presence of Cr(VI) and its reducing efficiency was increased with increasing concentration of Cr(VI). The Michaelis-Menten constant (Km) and the maximum specific velocity (Vmax) of the extracellular Cr(VI) reductase were calculated to be 54.03 µM Cr(VI) and 5.803 U mg(-1) of protein respectively showing high affinity towards Cr(VI). The reducing activity of the enzyme was maximum at pH 6.5-7.5 and at a temperature of 35 °C and was dependent on NADH. The enzyme was tolerant to different metals such as Mn(II), Mg(II) and Fe(III) and was able to reduce Cr(VI) present in chromite mine seepage. These findings suggest that the extracellular chromate reductase of Arthrobacter sp. SUK 1201 has a great promise for use in Cr(VI) detoxification under different environmental conditions, particularly in the mining waste water treatment systems.


Assuntos
Arthrobacter/enzimologia , Cromo/química , Oxirredutases/química , Biodegradação Ambiental , Cromo/metabolismo , Compostos Férricos , Filtração , Índia , Resíduos Industriais , Metais/química , Metais/metabolismo , Mineração , Oxirredução , Oxirredutases/metabolismo , Temperatura
17.
Chemosphere ; 154: 620-627, 2016 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-27101017

RESUMO

The hybrid structures of metal organic frameworks (MOFs) and nanoparticles may offer the realization of effective photocatalytic materials due to combined benefits of the porous and molecular sieving properties of MOF matrix and the functional characteristics of encapsulated nanoparticles. In this study, cadmium telluride (CdTe) quantum dots (QD) are conjugated with a europium-MOF for the synthesis of a novel nanocomposite material with photocatalytic properties. Successful synthesis of a QD/Eu-MOF nanocomposite was characterized with various spectroscopic and microscopic techniques. This QD/Eu-MOF is found to be an effective catalyst to complete the degradation of Rhodamine 6G dye within 50 min.


Assuntos
Compostos de Cádmio/química , Európio/química , Nanocompostos/química , Compostos Orgânicos/química , Fotoquímica , Pontos Quânticos , Rodaminas/química , Telúrio/química , Catálise , Nanopartículas/química , Oxirredução
18.
J Phys Condens Matter ; 28(7): 076001, 2016 Feb 24.
Artigo em Inglês | MEDLINE | ID: mdl-26807612

RESUMO

We present the results of zero-field muon-spin relaxation measurements made on the double perovskite insulators Sr2 BOsO6 (B = Fe,Y, In). Spontaneous muon-spin precession indicative of quasistatic long range magnetic ordering is observed in Sr2FeOsO6 within the AF1 antiferromagnetic phase for temperatures below [Formula: see text] K. Upon cooling below T2≈67 K the oscillations cease to be resolvable owing to the coexistence of the AF1 and AF2 phases, which leads to a broader range of internal magnetic fields. Using density functional calculations we identify a candidate muon stopping site within the unit cell, which dipole field simulations show to be consistent with the proposed magnetic structure. The possibility of incommensurate magnetic ordering is discussed for temperatures below TN = 53 K and 25 K for Sr2YOsO6 and Sr2InOsO6, respectively.

19.
Biotechnol Adv ; 34(1): 47-60, 2016.
Artigo em Inglês | MEDLINE | ID: mdl-26658155

RESUMO

Diverse classes of sensors have been developed over the past few decades for on-site detections of heavy metals. Most of these sensor systems have exploited optical, electrochemical, piezoelectric, ion-selective (electrode), and electrochemical measurement techniques. As such, numerous efforts have been made to explore the role of biosensors in the detection of heavy metals based on well-known interactions between heavy metals and biomolecules (e.g. proteins, peptides, enzymes, antibodies, whole cells, and nucleic acids). In this review, we cover the recent progress made on different types of biosensors for the detection of heavy metals. Our major focus was examining the use of biomolecules for constructing these biosensors. The discussion is extended further to cover the biosensors' performance along with challenges and opportunities for practical utilization.


Assuntos
Técnicas Biossensoriais/métodos , Metais Pesados/análise , Técnicas Eletroquímicas/instrumentação , Técnicas Eletroquímicas/métodos , Enzimas/química , Ácidos Nucleicos/química , Peptídeos/química , Proteínas/química
20.
Biofouling ; 31(9-10): 735-44, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-26577604

RESUMO

A moderately halophilic bacterium, Halomonas xianhensis SUR308 (Genbank Accession No. KJ933394) was isolated from a multi-pond solar saltern at Surala, Ganjam district, Odisha, India. The isolate produced a significant amount (7.87 g l(-1)) of extracellular polysaccharides (EPS) when grown in malt extract-yeast extract medium supplemented with 2.5% NaCl, 0.5% casein hydrolysate and 3% glucose. The EPS was isolated and purified following the conventional method of precipitation and dialysis. Chromatographic analysis (paper, GC and GC-MS) of the hydrolyzed EPS confirmed its heteropolymeric nature and showed that it is composed mainly of glucose (45.74 mol%), galactose (33.67 mol %) and mannose (17.83 mol%). Fourier-transform infrared spectroscopy indicated the presence of methylene and carboxyl groups as characteristic functional groups. In addition, its proton nuclear magnetic resonance spectrum revealed functional groups specific for extracellular polysaccharides. X-ray diffraction analysis revealed the amorphous nature (CIxrd, 0.56) of the EPS. It was thermostable up to 250 °C and displayed pseudoplastic rheology and remarkable stability against pH and salts. These unique properties of the EPS produced by H. xianhensis indicate its potential to act as an agent for detoxification, emulsification and diverse biological activities.


Assuntos
Halomonas/metabolismo , Polissacarídeos Bacterianos/isolamento & purificação , Halomonas/crescimento & desenvolvimento , Halomonas/isolamento & purificação , Índia , Microscopia de Força Atômica , Polissacarídeos Bacterianos/química , Reologia , Cloreto de Sódio/metabolismo , Espectroscopia de Infravermelho com Transformada de Fourier , Propriedades de Superfície , Difração de Raios X
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