Effects of potential models on the adsorption of ethane and ethylene on graphitized thermal carbon black. Study of two-dimensional critical temperature and isosteric heat versus loading

Adsorption of ethylene and ethane on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers is studied in detail to investigate the packing efficiency, the two-dimensional critical temperature, and the variation of the isosteric heat of adsorption with loading and temperature. Here we used a Monte Carlo simulation method with a grand canonical Monte Carlo ensemble. A number of two-center Lennard-Jones (LJ) potential models are investigated to study the impact of the choice of potential models in the description of adsorption behavior. We chose two 2C-LJ potential models in our investigation of the (i) UA-TraPPE-LJ model of Martin and Siepmann (J. Phys. Chem. B 1998,102, 25692577) for ethane and Wick et al. (J. Phys. Chem. B 2000,104, 8008-8016) for ethylene and (ii) AUA4-LJ model of Ungerer et al. (J. Chem. Phys. 2000,112, 5499-5510) for ethane and Bourasseau et al. (J. Chem. Phys. 2003, 118, 3020-3034) for ethylene. These models are used to study the adsorption of ethane and ethylene on graphitized thermal carbon black. It is found that the solid-fluid binary interaction parameter is a function of adsorbate and temperature, and the adsorption isotherms and heat of adsorption are well described by both the UA-TraPPE and AUA models, although the UA-TraPPE model performs slightly better. However, the local distributions predicted by these two models are slightly different. These two models are used to explore the two-dimensional condensation for the graphitized thermal carbon black, and these values are 110 K for ethylene and 120 K for ethane.

The Evaluation of health and safety auditing systems

The specific objective of the research was to evaluate proprietary audit systems. Proprietary audit systems comprise question sets containing approximately 500 questions dealing with selected aspects of health and safety management. Each question is allotted a number of points and an organisation seeks to judge its health and safety performance by the overall score achieved in the audit. Initially it was considered that the evaluation method might involve comparing the proprietary audit scores with other methods of measuring safety performance. However, what appeared to be missing in the first instance was information that organisations could use to compare the contrast question set content against their own needs. A technique was developed using the computer database FileMaker Pro. This enables questions in an audit to be sorted into categories using a process of searching for key words. Questions that are not categorised by word searching can be identified and sorted manually. The process can be completed in 2-3 hours which is considerably faster than manual categorisation of questions which typically takes about 10 days. The technique was used to compare and contrast three proprietary audits: ISRS, CHASE and QSA. Differences and similarities between these audits were successfully identified. It was concluded that in general proprietary audits need to focus to a greater extent on identifying strengths and weaknesses in occupational health and safety management systems. To do this requires the inclusion of more probing questions which consider whether risk control measures are likely to be successful.

Using Causal Models for the Calculation of Direct and Indirect Effects: An Example From Occupational Health

International audience

Selection indices and multivariate analysis show similar results in the evaluation of growth and carcass traits in beef cattle.

2016

Credibilidade e reputação em agentes inteligentes. Aplicação ao comércio electrónico

Desde o seu aparecimento, a Internet teve um desenvolvimento e uma taxa de crescimento quase exponencial. Os mercados de comércio electrónico têm vindo a acompanhar esta tendência de crescimento, tornando-se cada vez mais comuns e populares entre comerciantes ou compradores/vendedores de ocasião. A par deste crescimento também foi aumentando a complexidade e sofisticação dos sistemas responsáveis por promover os diferentes mercados. No seguimento desta evolução surgiram os Agentes Inteligentes devido à sua capacidade de encontrar e escolher, de uma forma relativamente eficiente, o melhor negócio, tendo por base as propostas e restrições existentes. Desde a primeira aplicação dos Agentes Inteligentes aos mercados de comércio electrónico que os investigadores desta área, têm tentado sempre auto-superar-se arranjando modelos de Agentes Inteligentes melhores e mais eficientes. Uma das técnicas usadas, para a tentativa de obtenção deste objectivo, é a transferência dos comportamentos Humanos, no que toca a negociação e decisão, para estes mesmos Agentes Inteligentes. O objectivo desta dissertação é averiguar se os Modelos de Avaliação de Credibilidade e Reputação são uma adição útil ao processo de negociação dos Agente Inteligentes. O objectivo geral dos modelos deste tipo é minimizar as situações de fraude ou incumprimento sistemático dos acordos realizados aquando do processo de negociação. Neste contexto, foi proposto um Modelo de Avaliação de Credibilidade e Reputação aplicável aos mercados de comércio electrónico actuais e que consigam dar uma resposta adequada o seu elevado nível de exigência. Além deste modelo proposto também foi desenvolvido um simulador Multi-Agente com a capacidade de simular vários cenários e permitir, desta forma, comprovar a aplicabilidade do modelo proposto. Por último, foram realizadas várias experiências sobre o simulador desenvolvido, de forma a ser possível retirar algumas conclusões para o presente trabalho. Sendo a conclusão mais importante a verificação/validação de que a utilização de mecanismos de credibilidade e reputação são uma mais-valia para os mercado de comércio electrónico.

Evaluation of hexose and pentose in pre-cultivation of Candida guilliermondii on the key enzymes for xylitol production in sugarcane hemicellulosic hydrolysate

The evaluation of hexose and pentose in pre-cultivation of Candida guilliermondii FTI 20037 yeast on xylose reductase (XR) and xylitol dehydrogenase (XDH) enzymes activities was performed during fermentation in sugarcane bagasse hemicellulosic hydrolysate. The xylitol production was evaluated by using cells previously growth in 30.0 gl(-1) xylose, 30.0 gl(-1) glucose and in both sugars mixture (30.0 gl(-1) xylose and 2.0 gl(-1) glucose). The vacuum evaporated hydrolysate (80 gl(-1)) was detoxificated by ion exchange resin (A-860S; A500PS and C-150-Purolite(A (R))). The total phenolic compounds and acetic acid were 93.0 and 64.9%, respectively, removed by the resin hydrolysate treatment. All experiments were carried out in Erlenmeyer flasks at 200 rpm, 30A degrees C. The maximum XR (0.618 Umg (Prot) (-1) ) and XDH (0.783 Umg (Prot) (-1) ) enzymes activities was obtained using inoculum previously growth in both sugars mixture. The highest cell concentration (10.6 gl(-1)) was obtained with inoculum pre-cultivated in the glucose. However, the xylitol yield and xylitol volumetric productivity were favored using the xylose as carbon source. In this case, it was observed maximum xylose (81%) and acetic acid (100%) consumption. It is very important to point out that maximum enzymatic activities were obtained when the mixture of sugars was used as carbon source of inoculum, while the highest fermentative parameters were obtained when xylose was used.

The use of a mixture of somatic and culture filtrate antigens in the evaluation of the immune response to Paracoccidioides brasiliensis

Three Paracoccidioides brasiliensis antigens, namely a culture filtrate preparation, a somatic antigen and a mixture of equal parts of the two, were tested by two serological techniques against sera from patients with paracoccidioidomycosis, and in an in vivo delayed hypersensitivity model in mice. The antigen mixture was more sensitive than the two individual antigens for the evaluation of humoral and cellular immune response to P. brasiliensis, both in man and in experimental animals.

Modeling the growth of LT and TL-oriented fatigue cracks in longitudinally and transversely pre-strained Al 2524-T3 alloy

The aluminum alloy 2524 (Al-Cu-Mg) was developed during the 90s mainly to be employed in aircraft fuselage panels, replacing the standard Al 2024. In the present analysis the fatigue crack growth (FCG) behavior of 2524-T3 was investigated, regarding the influence of three parameters: load ratio, pre strain and crack plane orientation of the material. The pre strain of aluminum alloys is usually performed in order to obtain a more homogeneous precipitates distribution, accompanied by an increase in the yield strength. In this work, it was evaluated the resistance of Al 2524-T3 sheet samples to the fatigue crack growth, having L-T and T-L crack orientations. FCG tests were performed under constant amplitude loading at three distinct positive load ratios. The three material conditions were tested: as received(AR), pre strained longitudinally (SL) and transversally (ST) in relation to rolling direction. In order to describe FCG behavior, two-parameter kinetic equations were compared: a Paris-type potential model and a new exponential equation introduced in a previous work conducted by our research group. It was observed that the exponential model, which takes into account the deviations from linearity presented by da/dN versus AK data, describes more adequately the FCG behavior of Al 224-T3 in relation to load ratio, pre strain effects and crack plane orientation. © 2011 Published by Elsevier Ltd.

Evaluation of physicochemical and glycaemic properties of commercial plant-based milk substitutes

The market for plant-based dairy-type products is growing as consumers replace bovine milk in their diet, for medical reasons or as a lifestyle choice. A screening of 17 different commercial plant-based milk substitutes based on different cereals, nuts and legumes was performed, including the evaluation of physicochemical and glycaemic properties. Half of the analysed samples had low or no protein contents (<0.5 %). Only samples based on soya showed considerable high protein contents, matching the value of cow’s milk (3.7 %). An in-vitro method was used to predict the glycaemic index. In general, the glycaemic index values ranged from 47 for bovine milk to 64 (almond-based) and up to 100 for rice-based samples. Most of the plant-based milk substitutes were highly unstable with separation rates up to 54.39 %/h. This study demonstrated that nutritional and physicochemical properties of plant-based milk substitutes are strongly dependent on the plant source, processing and fortification. Most products showed low nutritional qualities. Therefore, consumer awareness is important when plant-based milk substitutes are used as an alternative to cow’s milk in the diet.

Evaluation of various pre-treatments for the dehydration of banana and selection of suitable drying models

The thin-layer drying behaviour of bananas in a beat pump dehumidifier dryer was examined. Four pre-treatments (blanching, chilling, freezing and combined blanching and freezing) were applied to the bananas, which were dried at 50 degreesC with an air velocity of 3.1 m s(-1) and with the relative humidity of the inlet air of 10-35%. Three drying models, the simple model, the two-term exponential model and the Page model were examined. All models were evaluated using three statistical measures, correlation coefficient, root means square error, and mean absolute percent error. Moisture diffusivity was calculated based on the diffusion equation for an infinite cylindrical shape using the slope method. The rate of drying was higher for the pre-treatments involving freezing. The sample which was blanched only did not show any improvement in drying rate. In fact, a longer drying time resulted due to water absorption during blanching. There was no change in the rate for the chilled sample compared with the control. While all models closely fitted the drying data, the simple model showed greatest deviation from the experimental results. The two-term exponential model was found to be the best model for describing the drying curves of bananas because its parameters represent better the physical characteristics of the drying process. Moisture diffusivities of bananas were in the range 4.3-13.2 x 10(-10) m(2)s(-1). (C) 2002 Published by Elsevier Science Ltd.

Evaluation of the mechanical properties of self compacting concrete using current estimating models. Estimating the modulus of elasticity, tensile strength, and modulus of rupture of self compacting concrete

This study includes an analysis of the applicability of current models used for estimating the mechanical properties of conventional concrete to self-compacting concrete. The mechanical properties evaluated are: modulus of elasticity, tensile strength, and modulus of rupture. An extensive database which included the dosifications and the mechanical properties of 627 mixtures from 138 different references, was used. The models considered are: ACI, EC-2, NZS 3101:2006 (New Zealand code) and the CSA A23.3-04 (Canadian code). The precision in estimating the modulus of elasticity and tensile strength is acceptable for all models; however, all models are less precise in estimating the modulus of rupture.

Evaluation of Antihyperglycemia and Antihypertension Potential of Native Peruvian Fruits Using In Vitro Models

Local food diversity and traditional crops are essential for cost-effective management of the global epidemic of type 2 diabetes and associated complications of hypertension. Water and 12% ethanol extracts of native Peruvian fruits such as Lucuma (Pouteria lucuma), Pacae (Inga feuille), Papayita arequipena (Carica pubescens), Capuli (Prunus capuli), Aguaymanto (Physalis peruviana), and Algarrobo (Prosopis pallida) were evaluated for total phenolics, antioxidant activity based on 2, 2-diphenyl-1-picrylhydrazyl radical scavenging assay, and functionality such as in vitro inhibition of alpha-amylase, alpha-glucosidase, and angiotensin I-converting enzyme (ACE) relevant for potential management of hyperglycemia and hypertension linked to type 2 diabetes. The total phenolic content ranged from 3.2 (Aguaymanto) to 11.4 (Lucuma fruit) mg/g of sample dry weight. A significant positive correlation was found between total phenolic content and antioxidant activity for the ethanolic extracts. No phenolic compound was detected in Lucuma (fruit and powder) and Pacae. Aqueous extracts from Lucuma and Algarrobo had the highest alpha-glucosidase inhibitory activities. Papayita arequipena and Algarrobo had significant ACE inhibitory activities reflecting antihypertensive potential. These in vitro results point to the excellent potential of Peruvian fruits for food-based strategies for complementing effective antidiabetes and antihypertension solutions based on further animal and clinical studies.

Functionality of bioactive compounds in Brazilian strawberry (Fragaria x ananassa Duch.) cultivars: Evaluation of hyperglycemia and hypertension potential using in vitro models

Fruits of seven fully ripened strawberry cultivars grown in Brazil (Dover, Camp Dover, Camarosa, Sweet Charlie, Toyonoka, Oso Grande, and Piedade) were evaluated for total phenolics, antioxidant activity based on DPPH radical scavenging assay, and functionality such as inhibition of alpha-amylase, alpha-glucosidase, and angiotensin I-converting enzyme (ACE) relevant for potentially managing hyperglycemia and hypertension. The total phenolics content ranged from 966 to 1571 mu g of gallic acid/g of fruit fresh weight for Toyonoka and Dover, respectively. No correlation was found between total phenolics and antioxidant activity. The major phenolic compounds in aqueous extracts of strawberries were ellagic acid, quercetin, and chlorogenic acid. Strawberries had high alpha-glucosidase inhibitory activity. However, alpha-amylase inhibitory activity was very low in all cultivars. This suggested that strawberries could be considered as a potential dietary source with anti-hyperglycemic potential. The evaluated cultivars had no significant ACE inhibitory activity, reflecting low anti-hypertensive potential.