Total Energy Values Research Articles

Effect of Schwertmannite Surface Modification by Surfactants on Adhesion of Acidophilic Bacteria.

Bacterial cell adhesion onto mineral surfaces is important in a broad spectrum of processes, including bioweathering, bioleaching, and bacterial cell transport in the soil. Despite many research efforts, a detailed explanation is still lacking. This work investigates the role of surface-active compounds, cetyltrimethylammonium bromide (CTAB), sodium dodecyl sulfate (SDS), and pure rhamnolipid (RH), in the process of bacteria attachment on the schwertmannite surface. The surface energy was calculated based on the wettability of the tested systems, and for bacteria it was 54.8 mJ/m2, schwertmannite-SDS 54.4 mJ/m2, schwertmannite-CTAB 55.4 mJ/m2, and schwertmannite-RH 39.7 mJ/m2. The total energy of adhesion estimated based on thermodynamic data was found to be negative, suggesting favorable conditions for adhesion for all examined suspensions. However, including electrostatic interactions allowed for a more precise description of bacterial adhesion under the tested conditions. The theoretical analysis using the extended Derjaguin-Landau-Verwey-Overbeek (DLVO) approach showed a negative value of total adsorption energy only in bacteria-mineral suspensions, where SDS and rhamnolipid were added. The calculated data were in good agreement with experimental results indicating the significance of electrostatic forces in adsorption.

Observations of lightning in relation to transitions in volcanic activity during the 3 June 2018 Fuego Eruption

Satellite and ground-based remote sensing are combined to characterize lightning occurrence during the 3 June 2018 Volcán de Fuego eruption in Guatemala. The combination of the space-based Geostationary Lightning Mapper (GLM) and ground-based Earth Networks Total Lightning Network observed two distinct periods of lightning during this eruption totaling 75 unique lightning flash occurrences over five hours (57 in cloud, 18 cloud-to-ground). The first period of lightning coincided with the rapid growth of the ash cloud, while the second maxima occurred near the time of a deadly pyroclastic density current (PDC) and thunderstorm. Ninety-one percent of the lightning during the event was observed by only one of the lightning sensors, thus showing the importance of combining lightning datasets across multiple frequencies to characterize electrical activity in volcanic eruptions. GLM flashes during the event had a median total optical energy and flash length of 16 fJ, and 12 km, respectively. These median GLM flash energies and lengths observed in the volcanic plume are on the lower end of the flash spectrum because flashes observed in surrounding thunderstorms on 3 June had larger median total optical energy values (130 fJ) and longer median flash lengths (20 km). All 18 cloud-to-ground flashes were negative polarity, supportive of net negative charge within the plume. Mechanisms for the generation of the secondary lightning maxima are discussed based on the presence and potential interaction between ash plume, thunderstorm, and PDC transport during this secondary period of observed lightning.

Determination of Commercially Available Biogas Production Capacity and Effects on Methane Capture in Tekirdağ Province

This research was carried out in farms which have 100 and more cows with commercial biogas production capacity, in 2019 in Tekirdağ. This is because it is stated that if the livestock enterprises have at least 100 animals, biogas production can be realized economically. The distribution and number of farms with this feature in districts were provided from Tekirdağ Food, Agriculture and Livestock Provincial Directorate. Biogas is generally used by converting it to heat and electrical energy. While it is used mostly for heating purposes in small farms, electricity and heat energy are provided in CHP units in large farms. Total methane production potential and energy value were calculated as 22466 Nm3day-1 and 81756.4 MWhyear-1, respectively. The highest methane production potential and energy value is in Muratlı district and the least is in Çerkezköy district. It was determined that 42512.48 MWhyear-1 useful heat energy and in CHP unit 28614.17 MWhyear-1 electricity energy and 19784.65 MWhyear-1additional heat energy could be obtained from methane produced by anaerobic fermentation. It is determined that 19067.56 tonsCO2eyear-1 of methane will be released if the manure is stored outdoors. It was determined that methane emission could be reduced by 1087.13 tons CO2eyear-1 if the nitrogen was used in fermentation residues instead of the chemical fertilizer. Total methane retention in the use of methane for heat purposes will be 31590.55 tons CO2eyear-1. Methane emissions will be reduced by 12522.99 tons CO2eyear-1 when used for heat purposes, than the conditions in which the manure is stored outdoors. When methane is used in the CHP unit to provide electricity and heat energy, total methane retention is calculated as 38467.6 tons CO2eyear-1, and the decrease in methane emission is calculated as 19400 tons CO2eyear-1. In animal husbandry enterprises that are located in Tekirdağ and are commercially producing, evaluation of manure without long-term storage by means of anaerobic digestion is important in terms of meeting of the energy requirement and reducing methane emission and the government should encourage enterprises in this regard.

Functional product enriched with the microencapsulated extract of cupuassu (Theobroma grandiflorum Schum.) seed by-product

Abstract This work deals with the application of microencapsulated extract of cupuassu seed by-product to functionally enrich a food multimixture. The methodological bases applied were those of the Official Methods of Analysis of AOAC. Multimixture enrichment with the extract led to 54 and 19% increases in total dietary fiber and total fat contents, to slight decreases in carbohydrate and protein contents, while the total energy value was reduced by 6.4% due to the increase in unsaturated fatty acids content. The enriched multimixture showed a significant antioxidant activity and high levels of Ca2+, Fe2+, Zn2+ and ω-9 and ω-6 unsaturated fatty acids. Nutritional and functional qualities of this multimixture, as well as its excellent stability against progressive temperature increases frequently occurring in food preparations, suggest its use as a basic ingredient for food supplementation. The results also indicate excellent technological properties of the multimixture to formulate new food products.

The Role of Depth and Flatness of a Potential Energy Surface in Chemical Reaction Dynamics

In this study, we analyze how changes in the geometry of a potential energy surface in terms of depth and flatness can affect the reaction dynamics. We formulate depth and flatness in the context of one and two degree-of-freedom (DOF) Hamiltonian normal form for the saddle-node bifurcation and quantify their influence on chemical reaction dynamics. In a recent work, Garc\'ia-Garrido, Naik, and Wiggins illustrated how changing the well-depth of a potential energy surface (PES) can lead to a saddle-node bifurcation. They have shown how the geometry of cylindrical manifolds associated with the rank-1 saddle changes en route to the saddle-node bifurcation. Using the formulation presented here, we show how changes in the parameters of the potential energy control the depth and flatness and show their role in the quantitative measures of a chemical reaction. We quantify this role of the depth and flatness by calculating the ratio of the bottleneck-width and well-width, reaction probability (also known as transition fraction or population fraction), gap time (or first passage time) distribution, and directional flux through the dividing surface (DS) for small to high values of total energy. The results obtained for these quantitative measures are in agreement with the qualitative understanding of the reaction dynamics.

Wettability of Asphalt Concrete with Natural and Recycled Aggregates from Sanitary Ceramics.

In line with the current trend of seeking alternative methods for modification of the existing building composites, such as mineral–asphalt mixtures (MAMs), the materials from concrete and ceramics recycling are being used in increasingly wider applications. When added to MAMs as an aggregate, ceramic building material, which has different properties than the raw material (clay), may significantly influence the aggregate properties, including the wettability, porosity, asphalt adhesion, and consequently the mixture durability. The material’s microstructure was found using SEM. The wetting properties of mineral–asphalt mixtures were determined by measuring the contact angles (CA) of their surfaces, using water as the measuring liquid. The total surface free energy (SFE) values were determined using the Neumann method. When analyzing the research results, it can be noticed that the chemical composition of the ceramic aggregate has a significant influence on the adhesion of asphalt to its surface due to the chemical affinity. Waste ceramic aggregate, despite its acidic pH value being connected with its elevated silica content, exhibits good adhesive properties.

Impact of processing, packages, and storage on quality of mangaba ( Hancornia speciosa Gomes) jelly

This work investigated the impact of processing, packages, and storage time on quality of mangaba jelly (p < .05). Therefore, mangaba fresh jelly was compared to the mangaba pulp, before processing. Besides, mangaba jelly packed in ambar and transparent glass jars was evaluated at 0, 3, 6, 9, and 12 months of storage. The mangaba jelly presented lower averages of proximate components, water activity, titratable acidity, and color variables (L*, C*, and °hue) and higher averages of total soluble solids, pH, pectin, carbohydrate levels, and total energy value. Storage time significantly influenced all the variables studied except ash, fiber, springiness, sensory attributes (color and aroma), although the packages have not affected differently any variable studied. Mangaba jelly behaved as shear thinning fluid that fitted better to the Herschel–Bulkley model. The results of this study have potential to expand the consumption of mangaba as new product all year round. Practical applications Exotic fruit consumption has been growing steadily over the last decades due to consumer awareness of health benefits. The Cerrado biome presents a huge variety of native species whose exotic fruits have a great potential because they supply functional properties that impart health benefits beyond basic nutrition. The mangaba, an exotic fruit from Cerrado, is an excellent source of nutritional and bioactive compounds that have been implicated in reducing the risk of diseases such as tuberculosis as well as inflammatory disorders. However, it has short postharvest life and it is still commercial underexplored. Therefore, jelly processing can increase the marketing period as well as the aggregate economic value and extend the shelf life.

Botanical origin, microbiological quality and physicochemical composition of the Melipona scutellaris pot-pollen (“samburá”) from Bahia (Brazil) Region

Melipona scutellaris Latreille, 1811 is of economic importance for local beekeepers, besides its relevance in the pollination of native plant species of the Brazilian Atlantic forest. Currently, data on the use of floral resources by Meliponini colonies are scarce, particularly in urban environments. We evaluated the botanical origin, the microbiological and physicochemical characteristics of pollen stored by M. scutellaris in colonies in an urban environment. The samples (n = 44) were obtained from the metropolitan region of Salvador, Bahia, Brazil, a region of intense urban and industrial activities. We identified 52 pollen types belonging to 21 botanical families. The botanical families Fabaceae, Myrtaceae, and Anacardiaceae represented most pollen types. Aerobic psychrotrophic bacteria, Bacillus spp., molds and yeasts, fecal coliforms, Escherichia coli, Staphylococcus aureus, sulfite-reducing Clostridium, and Salmonella spp. were not found in the samples. We identified and quantified fatty acids with carbon numbers varying from C4 to C20. For the physicochemical parameters, the following variations were verified: moisture (47.3% to 55.70%), ash (3.45% to 5.90%), protein (10.19 to 24.02%), pH (3.28 to 3.99), acidity (237.20 to 557.10 meq/kg), lipids (2.43 to 7.94%), carbohydrates (10.85 to 28.89%) and total energy value (170.60 to 216.99 kcal/100g). Pollen stored (“samburá”) by bees is a complete food and a source of nutrients with therapeutic potential. Pollen stored by M. scutellaris consists of a heterofloral pollen with physicochemical and microbiological qualities, considered safe for human consumption. Moreover, it contains linoleic and linolenic essential fatty acids making it a potential nutraceutical product.

Dermaseptin-Based Antiviral Peptides to Prevent COVID-19 through In Silico Molecular Docking Studies against SARS-CoV-2 Spike Protein

A pandemic coronavirus disease of 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has now been declared a global pandemic by the World Health Organization. The search for new drugs, especially by utilizing antiviral peptides is a very potential area. Through this study, protein-peptide docking and protein-protein docking simulations were conducted using in silico methods to identify, evaluate, and explore the molecular affinity and interaction of dermaseptin peptide molecules produced by frogs of the genus Phyllomedusa against the SARS-CoV-2 spike protein macromolecule, and its effect on attachment to the surface of the ACE-2 (Angiotensin Converting Enzyme-2) receptor. Protein-peptide docking simulation results show that dermaseptin-S9 peptide molecule has the best affinity to the active site of SARS- CoV-2 spike protein macromolecule binding site, with a binding free energy value of −792.93 kJ/mol. Then the results of protein-protein docking simulations proved that dermaseptin-S9 peptide molecule was able to prevent the attachment of SARS-CoV-2 spike protein to the surface of the ACE-2 receptor, with a total energy value of 517.85 kJ/mol. Therefore, it is hoped that dermaseptin-S9 peptide molecule can be further studied in the development of novel antiviral peptide candidates for the control of COVID-19 infectious disease.

Balancing biodiversity and agriculture: Conservation scenarios for the Dutch dairy sector

Biodiversity is declining and current strategies to halt biodiversity loss have not succeeded. In preparing the EU’s Biodiversity Strategy 2030, it is essential to unravel different visions about conservation targets for agriculture, and to understand potential trade-offs with food production. In this research, we translated the narratives of experts into two conservation scenarios on a case study area resembling the Dutch dairy sector. The scenarios reflected a targeted versus a generic approach towards conservation. In the targeted conservation (TC) scenario, extensive grassland, reduced drainage and delayed mowing were applied in core areas to enhance meadow bird abundance, whereas in the generic conservation (GC) scenario, networks of nature and extensive agriculture were created and no feed was imported, which required a change in local agricultural land use. Subsequently, total feed and food (milk and meat) production and potential impacts on biodiversity were assessed, using the total energy and protein value for dairy, dairy productivity and the potentially disappeared fraction (PDF) of plant species richness. Land use changed on 6% of the case study area in the TC scenario, and 69 % in the GC scenario. Feed production per ha (net energy for lactation) was reduced by 3% for the TC and 41 % for the GC scenario. Food production on the case study area reduced to the same extent in TC, and to a larger extent (by about two thirds) in GC because no feed was imported. In consequence, biodiversity increased, thus reducing the PDF from 0.17 in the baseline scenario to 0.16 in the TC scenario and 0.10 in the GC scenario. In both scenarios, extensive grassland offset part of the loss in plant species richness caused by cropland and intensive grassland. Implementing these opposing scenarios requires different policy approaches or incentives for the dairy sector. Moreover, judging whether measures are worth the expected benefits for biodiversity depends on stakeholders’ values. Lastly, potential displacement of food production and associated impact on biodiversity needs to be considered.

Consumo alimentar de indivíduos com ortorexia e sua relação com nível de atividade física

Objetivo: Comparar o consumo alimentar entre indivíduos identificados com e sem ortorexia, e suas diferenças em relação ao nível de atividade física. Métodos: Estudo transversal, com uma amostra de 59 indivíduos adultos (30 mulheres e 29 homens), com idade entre 18 e 50 anos, de ambos os sexos. Os participantes foram avaliados e divididos segundo nível e tipo de atividade física (fisicamente ativos: &gt; 150min de exercício por semana). A presença de ortorexia foi avaliada pelo questionário ORTO-15, e o consumo alimentar avaliado por recordatório habitual de um dia. A análise estatística foi feita por teste t Student ou U de Mann-Whitney, para comparação entre os grupos com e sem ortorexia. A comparação dos dados descritos como frequências absolutas e percentuais foi realizada por qui-quadrado. Resultados: A média de idade dos indivíduos avaliados foi de 31, 2 ± 8,9 anos. Houve prevalência de ortorexia de 78%, sendo maior nos indivíduos fisicamente ativos (86% vs 65%; p=0,05). Indivíduos com ortorexia consumiam mais proteínas em relação às gramas por dia, por kg, percentual do valor energético total e kcal (p&lt;0,05); e tinham um consumo mais baixo de carboidratos em relação ao percentual do valor energético total (p&lt;0,05), em comparação aos sem ortorexia. Esse padrão se manteve significativo apenas dentro do grupo fisicamente ativo. Conclusão: Os resultados deste estudo sugerem que a ortorexia pode estar associada à prática de exercício físico e a um comportamento alimentar com maior consumo de proteínas e baixo em carboidratos.

First Principles Calculations of Electronic, Structural and Optical Properties of (PMMA–ZrO2–Au) and (PMMA–Al2O3–Au) Nanocomposites for Optoelectronics Applications

This study focuses on the quantum mechanical treatment of the geometrical optimization and the electronic structure problems of a nanomaterial PMMA and nanocomposites. The hybrid functional B3LYP/6-31G level of DFT is used to investigate four molecules divided into two groups, they are PMMA as an original basis molecule and (PMMA–Au), (PMMA–Al2O3–Au), (PMMA–ZrO2–Au) nanocomposites as the two group. The DFT calculations have been performed using Gaussian 09 package of programs. The geometrical optimization included both bonds in °A and angles in deg. The calculated electronic properties included the total energy, HOMO and LUMO energies, energy gap, ionization energy, electron affinity, electronegativity, electrochemical hardness, electronic softness and Electrophilic index. The geometrical optimization of PMMA and nanocomposites has been found in good agreement with the experimental data because of its relaxed geometrical parameters. One of the important results was obtain in this study, is the decreasing of the energy gap. This states that these nanocomposites are the nearest to semiconductor due to the both HOMO and LUMO levels become more adjacent. These consequences mention to construct new structures with new electronic properties. All nanocomposites need small energy to become cationdue to ionization potential is decrease with addition nanoparticles to the pure PMMA, but the electronic affinity is an increase with with addition nanoparticles to the pure PMMA. The total ground state energy of the PMMA have largest value of total energy compared for other nanocomposites, where ET decreased with addition nanoparticles to pure PMMA. The hardness decrease with addition nanoparticles to the pure PMMA, therefore all the nanocomposites are softer, and this reduces the resistance of a species to lose electrons. Good relax for the structures of the studied PMMA was obtained theoretically, in which, the angles C–C, C=O and C–H in pure PMMA are remain in the same ranges for other nanocomposites. In general, most of the studied nonocomposites direct electronic transition from the valence to conduction band with wave length lies in the range of solar spectrum. The obtained results showed that the (PMMA–ZrO2–Au) and (PMMA–Al2O3–Au) nanocomposites have huge applications in electronics and photo-electronics fields.

Proximal composition, bioactive compounds content and color preference of Viola x Wittrockiana flowers

Pansy (Viola x wittrockiana) is an edible flower with several colored petals, considered a WEP (wild edible plant). However, little scientific information is available on the chemical composition and bioactive compounds of this plant. Thus, the objective of this study was to characterize chemically and determine the color preference of 22 petals of the edible flowers of Viola x wittrockiana. The total carbohydrates content of 80.27 g, 10.14 g of crude protein, 1.67 g of fat and 7.92 g of ash per 100 g of dry sample were obtained. The total energy value was 376.67 Kcal per 100 g dry sample. Palmitic acid was the major fatty acid, followed by linoleic acid. The phenolic compound contents in the petals with different staining ranged from 73 to 1033.5 mg of gallic acid equivalent per 100 g of sample. The highest levels of phenolic compounds were obtained in colored petals, and the lowest contents were obtained in the petals with lighter colors. The “purple” and “pink” colors had the highest anthocyanin content. The highest levels of flavonoids were obtained in the “orange”, “blue and violet”, “yellow with pink stain”, “White with purple stain”, “yellow”, “blue with purple stain” and “blue” petals. Petals with “blue and white” and “ruby red” colors were preferred by judges of the sensory preference test. These results indicate that the pansy flower serves not only as a decorative ingredient in the culinary dishes, but also as a potential functional food.

Ultrafiltration Membranes Coated by Amphiphilic Copolymers Containing Superhydrophilic Zwitterionic and Hydrophobic POSS Moieties Showing Improved Fouling Resistance/Release Properties

AbstractUltrafiltration membranes coated with amphiphilic copolymers containing superhydrophilic zwitterionic moieties and hydrophobic POSS moieties (PSM‐coated membranes) are prepared. The free radical polymerization of 2‐(dimethylamino)ethyl methacrylate (DMAEMA) and 3‐(3,5,7,9,11,13,15‐heptaisobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane‐1‐yl)propyl methacrylate (MAPOSS) monomers is used to prepare a series of copolymers containing different compositions of DMAEMA and MAPOSS units (PDMs). The DMAEMA units in the PDM‐coated membranes are subsequently converted to sulfobetaine methacrylate (SBMA) units using 1,3‐propane sultone (post‐zwitterionization) to give the PSM‐coated membranes. The PSM‐coated membranes show improved fouling resistance/release properties, compared with a neat polysulfone (PSf) membrane. The improved fouling resistance properties of the PSM‐coated membranes are attributed to the superhydrophilic zwitterionic moieties, which form a hydration layer on the membrane surface via electrostatic interactions between the zwitterions and water molecules. Moreover, the total surface energy (γS) value of the PSM‐coated membrane is smaller than that of the PSf membrane due to the hydrophobic POSS moieties. This results in the superior fouling release properties of the PSM‐coated membranes.

Quality Characteristics and Acceptability of Chin-chin Prepared from Rice and High Quality Cassava Composite Flour

Objective:This study was carried to assess the quality characteristics and acceptability of chin-chin prepared from rice and high-quality cassava composite flour.Methods:Chin-chin samples were made from the blends of rice flour (RF) and high quality cassava composite flour (HQCF) at varying proportions (100:0; 90:10; 80:20; 70:30; 60:40; 50:50; 0:100). The proximate composition, calorific and total energy values, physical quality, crust colour and the sensory properties of various chin-chin samples were analyzed.Results:The results showed that there was an inverse relationship between moisture, protein, fat, crude fibre and the ash of the chin-chin samples as the quantity of the high-quality cassava flour (HQCF) added increased. There was also a decrease in the values of proximate components of the chin-chin from RF. The % moisture, protein, crude fibre and ash ranged from 6.6 to 3.9, 7.9 to 4.6, 0.8 to 0.4 and 1.3 to 0.8 while % fat ranged from 18.4 to 24.7, respectively. The starch, sugar and calorific values of chin-chin samples ranged from 73.6 to 81.3%, 6.8-8.9 mg/100g, 431 to 496 cal/100 g respectively as the quantity of the high-quality cassava flour (HQCF) increased. As the quantity of the high-quality cassava flour increased in the chin-chin samples, the weight and volume ranged from 2.3 to 4.7 g and 1.8 to 0.8 cm3 respectively. The crust colour L*, a* and b* ranged from 68.01 to 78.81, 14.86 to 10.16 and 33.94 to 21.51 respectively. As the proportions of HQCF increased in the chin-chin, lightness of samples increased. The results of sensory evaluation showed that chin-chin samples from rice flour, HQCF and their composite flour had high sensory ratings and were acceptable to the consumers but chin-chin samples from 100% rice flour had highest overall consumer acceptability and were more preferred by the consumers when compared with chin-chin samples from rice and the high-quality cassava composite flour.Conclusion:In conclusion, it was observed that acceptable chin-chin could be prepared from rice and the high-quality cassava composite flour. Acceptable chin-chin samples could be produced optimally from rice-high quality cassava composite flour in a ratio of 60 to 40. However, it was also observed that chin-chin samples from 100% rice flour had the highest overall consumer acceptability and were more preferred by the consumers when compared with chin-chin samples from rice and the high-quality cassava composite flour.

Study of the nutritional, sensory and microbiological properties of food pastes made with baru almonds (Dipteryx alata vog.)

Baru almond is an oilseed native to the Cerrado biome and stands out because of its large nutrient content. The present study sought to perform a centesimal, mineral, microbiological and sensory characterization of food pastes made with different contents of baru almonds: P1 (35%); P2 (17.5%); and P3 (0%). Hazelnuts were used as the control to counterbalance the different percentages of almond. The highest concentrations of moisture, lipids, and calcium and the highest total energy value were observed with the food pastes consisting of 35% baru almond (P1). However, a decrease in ash, protein and carbohydrate contents occurred. Higher concentrations of potassium and zinc were found in the food pastes made with 0% baru almond (P3), indicating that hazelnuts contained a greater quantity of these minerals. As for the microbiological results, no coliforms were found for any of the pastes tested. Low levels of molds and yeasts were observed at the dilutions of 10-1 and 10-2 UFC/g and none at 10-3 UFC/g. For the taste sensorial attributes, global impression and intention to purchase, no significant differences were observed between the formulations. However, the food pastes consisting of 17.5% baru almond and 17.5% hazelnut (P2) received the highest scores for appearance and texture. It is concluded that the food pastes made with different contents of baru almond had satisfactory nutritional, sensory and microbiological characteristics for consumption.

Surface energy characterization of different particulate silica gels at infinite dilution

Porous silica gels are the well-established adsorbent materials used in adsorption cooling, dehumidification, gas separation, and desalination applications. To understand the adsorption characteristics, morphological characterization of the adsorbent is widely used. However, the surface activities of the adsorbent material, which are the most influential parameters for the adsorption process, are still unknown. To determine the surface activities, surface energy analysis has been performed for four silica gel particulates (RD granular silica gel, Chromatorex, Home silica gel, and B-type silica gel) using inverse gas chromatography technique. Experiments have been conducted at infinite dilution (0.008 to 0.1 coverage) with a fixed flowrate (30 sccm) of helium gas. The results showed that RD granular silica gel has the highest value of total surface energy for all the coverages. A correlation between the dispersive component of surface energy and morphological characteristics (variation with specific surface area and pore size distribution) has been discussed. Comparative studies on surface energy components of the studied silica gels and activated carbons have also been presented, which will contribute to fulfilling the knowledge gap between morphological characterization and adsorption phenomenon.

Spin orbit coupling effects on the non-collinear magnetism of structurally relaxed Fe/Cu (001) thin films: First principles calculations

The effect of the spin–orbit coupling interaction and atomic relaxation, on the ground state non-collinear magnetism of deposited Fe thin films, on a Cu (001) surface, is studied by using first principles density functional theory calculations. The total energy values and spin and orbital magnetic local moments are calculated for a Fe film of N = 6 atomic layers deposited on a 12 layer thick Cu film playing the role of substrate. As a first step, we allow the thin film and surface layers to atomically relax. We found important contractions of about 20% between the first and second, the third and fourth, and firth and sixth Fe layers. Then, we obtain collinear and non-collinear magnetic arrangements which agree with the main experimental resultssatte that show a non-collinear configuration at low temperatures (around 40 K). The magnetic properties of the first four Fe layers are well reproduced. The agreement is better than the results obtained ignoring the spin–orbit coupling and the structure relaxation. Although both calculations predict non-collinear configurations with energy values slightly above that of a collinear ground state. In some cases, the energy differences between two collinear (or non-collinear) solutions with different spin orientation axis is only under the value of one meV. The calculated orbital local moment arrangements are clearly similar to the spin magnetic local moment ones and show a correct dependence on the dimensionality aspects of the system when changing the spin axis quantization direction.

Can the pregnant woman's food intake be influenced by her clinical condition during pregnancy?

Abstract Objectives: to evaluate the association between dietary intake during pregnancy and different gestational clinical conditions (hypertensive, diabetics, smokers, having intrauterine growth restriction and a control group) and associated factors. Methods: cross-sectional study nested in a cohort study from 2011 to 2016 that occurred in three hospitals in Porto Alegre (Brazil). Sociodemographic conditions and prenatal were investigated and maternal feeding practices were analyzed by the Food Frequency Questionnaire. To calculate the caloric percentage from food groups, food items were categorized into:unprocessed or minimally processed, processed and ultra-processed foods. The Kruskal-Wallis test with Dunn's post-hoc compared food consumption between the groups and the Poisson regression evaluated the association between the variables. Results: there was no statistical difference in food intake among 303 mothers of different gestational clinical conditions, but diabetic pregnant women had lower caloric contribution value of ultra-processed foods. In addition, pregnant women from all groups showed adequate consumption in relation to the percentage of caloric contribution of macronutrients in the total energy value. Conclusions: there was no difference in energy consumption according to different gestational clinical conditions.In diabetic, smokers and hypertensive pregnant women, associations between total energy intake and different sociodemographic factors were observed between the groups.

Potential Sites for Underground Energy and CO2 Storage in Greece: A Geological and Petrological Approach

Underground geological energy and CO2 storage contribute to mitigation of anthropogenic greenhouse-gas emissions and climate change effects. The present study aims to present specific underground energy and CO2 storage sites in Greece. Thermal capacity calculations from twenty-two studied aquifers (4 × 10−4–25 × 10−3 MJ) indicate that those of Mesohellenic Trough (Northwest Greece), Western Thessaloniki basin and Botsara flysch (Northwestern Greece) exhibit the best performance. Heat capacity was investigated in fourteen aquifers (throughout North and South Greece) and three abandoned mines of Central Greece. Results indicate that aquifers present higher average total heat energy values (up to ~6.05 × 106 MWh(th)), whereas abandoned mines present significantly higher average area heat energy contents (up to ~5.44 × 106 MWh(th)). Estimations indicate that the Sappes, Serres and Komotini aquifers could cover the space heating energy consumption of East Macedonia-Thrace region. Underground gas storage was investigated in eight aquifers, four gas fields and three evaporite sites. Results indicate that Prinos and South Kavala gas fields (North Greece) could cover the electricity needs of households in East Macedonia and Thrace regions. Hydrogen storage capacity of Corfu and Kefalonia islands is 53,200 MWh(e). These values could cover the electricity needs of 6770 households in the Ionian islands. Petrographical and mineralogical studies of sandstone samples from the Mesohellenic Trough and Volos basalts (Central Greece) indicate that they could serve as potential sites for CO2 storage.