Miracle-dz/UniFAR-FTUs huggingface dataset:
Influência de diferentes manejos agrícolas na distribuição de metais pesados no solo e em plantas de tomate

Paty do Alferes in the State of Rio de Janeiro, Brazil, is a county with agricultural tradition, whose main economical source is horticulture. Topography and rainfall regime of the region are favorable for erosion. Due to the lack of an appropriate soil management, besides excessive application of agrochemicals, physical and chemical soil degradation processes are favored, causing serious environmental impacts. With the objective to evaluate accumulated heavy metals in soil and in tomato plants (Lycopersicon esculentum Mill), raised in different soil tillage systems, a study was carried out in the county of Paty do Alferes (RJ), in the months from August to December 1999. Wischmeier plots of 22.0 x 4.0 m (with runoff and sediment collectors) were installed on a Red-Yellow Latosol with 30 % incline. Each tillage system represented a treatment: (a) conventional tillage: downhill furrows and burning of vegetal residues (PC); (b) tillage along contour lines: contour plowing by animal traction with strips of cropping grass every 7.0 m (PN); (c) minimum tillage: opening of ditches for plants only, under preservation of the vegetal residues (CM). Soil and tomato plant samples were collected for analyses of heavy metal contents, plant productivity and soil fertility. Productivity in the minimum tillage treatment was significantly lower than in the others, although this system benefited the highest soil fertility. It provided the greatest accumulation of heavy metals in the aerial part of the plants as well, and Cu and Zn contents lay above the permitted heavy metal levels in plants. The fruits of all three soil tillage systems presented Pb concentrations near the limits allowed for fresh food.
Components of Essential Oil from Woods of Prunus mume Sieb. et Zucc.

The compositions of the essential oil from woods of Prunus mume Sieb. et Zucc. (ume), have been investigated by capillary GC and GC/MS. The oil was found to contain 97 components, representing 92.41% of the total oil. The main constituents were 6,10,14-trimethyl-2-pentadecanone (15.83%), α-acorenol (9.36%), (Z)-α-bisabolene (7.49%), benzaldehyde (3.87%), isopropyltiglate (3.84%), terpinen-4-ol (3.41%).
Ready-to-Serve Crab Sandwich Spread in Retort Pouch: Product Development and Process Optimization

A ready-to-serve sandwich spread was developed from the meat of mud crab, Scylla serrata, by thermal processing in retortable pouches in an overpressure retort at temperatures 111.1, 116.1, and 121.1°C; and F0 values 5, 6, and 7 min. Process optimization was done by evaluating the samples for texture, color, commercial sterility, thiobarbituric acid (TBA) value, and sensory evaluation. All samples were found to be acceptable based on these quality evaluations, and together with principal component analysis (PCA), the sample processed at 116.1°C, 6 min was found to be the best, with cook value of 84.29 and total process time of 42.59 min.
Reduction Behavior of CeO2−ZrO2 Solid Solution Prepared from Cerium Zirconyl Oxalate

CeO2−ZrO2 solid solutions were prepared by means of thermal decomposition of cerium zirconyl oxalate in an argon flow at 1273 K followed by oxidation at 673−873 K in air. The reduction behavior of the obtained CeO2−ZrO2 powders was investigated and compared with the samples prepared by the other methods already reported to yield CeO2−ZrO2 powders with high redox activity. The CeO2−ZrO2 samples prepared from the oxalate showed excellent reduction behavior, despite their very low surface areas. The reason for the excellent oxygen evolution behavior of the powders was discussed, from the viewpoints of the structure and the preparation process, and was attributed to both the appearance of a cubic phase with a different oxygen arrangement and the reduction by carbon formed in the sample preparation process.
Phosphorus-Doped p-Type ZnO Nanorods and ZnO Nanorod p−n Homojunction LED Fabricated by Hydrothermal Method

Phosphorus-doped ZnO nanorods and ZnO nanorod homojunctions were prepared by a hydrothermal method. The structural and photoluminescent (PL) characterizations showed the P atoms doped into the ZnO crystal lattice. In low-temperature PL spectra the emission peaks located at 3.310 and 3.241 eV were observed, which could be attributed to a conduction band to the phosphorus-related acceptor transition and a donor−acceptor pair transition, respectively. ZnO homojunctions were synthesized by P-doped ZnO nanorods grown on undoped ZnO nanorods. The current−voltage (I−V) measurement based on the ZnO nanorod p−n homojunctions showed a typical semiconductor rectification characteristic with a turn-on voltage of about 3.14 V, which meant the conductivity of the P-doped ZnO nanorod might be a p-type conductivity. The electroluminescence was observed at room temperature for this homojunction, which contained a violet-blue emission and a broad visible band emission.
Determination of saturate, aromatic, resin, and asphaltenic (SARA) components in crude oils by means of infrared and near-infrared spectroscopy

Eighteen crude oils and condensates have been investigated by means of infrared (IR) and near-infrared spectroscopy (NIR) and high-performance liquid chromatography (HPLC). By means of HPLC the samples have been separated into four chemical group classes, namely saturates, aromatics, resins, and asphaltenes, the so-called SARA fractions. Using multivariate analysis techniques such as principal component analysis (PCA) and partial least-squares analysis (PLS), the predictive ability of the spectroscopic techniques with regard to the SARA components have been explored. The results show that the SARA distribution of crude oils and related materials can be determined both from infrared and near-infrared spectroscopy. The uncertainties in the prediction models based on IR spectroscopy have been found to be 2.5, 2.2, 1.4, and 1.3 wt % for the saturate, aromatic, resin, and asphaltene fraction, respectively. For NIR the equivalent uncertainties are 2.8, 2.4, 1.4, and 1.0 wt %. These values are in the same range .
Distributed multipole moments in atomistic force fields. implementation and applications

The accuracy of atomistic force fields depends on the complexity of the interatomic potential function as well as on the parametrization of the potential. In conventional force fields, the electrostatic potential is represented by atom-centered point charges. Point charges can be understood as the first term of multipole expansions, which converge with increasing number of terms towards the accurate representation of the molecular potential given by the electron density distribution. Here, the distributed multipole analysis (DMA) is used to obtain atomic multipole moments. The accuracy of distributed multipole potentials is tested for several molecules and compared to point charge potentials. The investigation is focused on convergence of the multipole expansion and conformational dependence. Energies and forces required for molecular dynamics (MD) simulations with atomic multipole potentials are implemented into the CHARMM program. Important points to consider for the implementation are the orientation of the multipole moments and the conformational dependence of multipole parameters. The implementation is applied to different systems: The splitting of the infrared (IR) absorption band for photodissociated CO in Myoglobin is analyzed comparing different multipole models for CO. A relationship is established between the IR frequency and the CO orientation in the binding pocket. The experimental IR spectrum of CO in amorphous ice is reproduced using multipole potentials for CO and water. The relationship between infrared frequencies and ice structures is analyzed. Furthermore, atomic multipole moments are applied to methane and CO clathrate hydrates. Lattice modes are calculated and compared to experiment. The influence of different guest molecules on lattice modes and structure is characterized.
Theory of thermal unimolecular reactions at low pressures. I. Solutions of the master equation

The master equation for a thermal unimolecular reaction in gases at low pressures is formulated. Steady‐state solutions are derived in analytical form with an exponential model of collisional transition probabilities, (i) for vibrational energy transfer in molecules with variable densities of states, and (ii) for combined rotational and vibrational energy transfer in molecules with variable heights of the centrifugal barriers. Other models of transition probabilities are treated numerically. The diffusion limit of energy transfer is discussed. In all cases, the nonequilibrium populations of excited states and the weak collision efficiency factors βc are calculated.
The influence of anthropogenic disturbances and watershed morphological characteristics on Hg dynamics in Northern Quebec large boreal lakes

Mercury (Hg) dynamics in the boreal environment have been a subject of concern in recent decades, due to the exposure of local populations to the contaminant. Land use, because of its impact on mercury inputs, has been highlighted as a key player in the sources and eventual concentrations of the heavy metal. In order to evaluate the impact of watershed disturbances on Hg dynamics in frequently fished, large boreal lakes, we studied sediment cores retrieved at the focal point of eight large lakes of Quebec (Canada), six with watersheds affected by land uses such as logging and/or mining, and two with pristine watersheds, considered as reference lakes. Using a Geographical Information System (GIS), we correlated the recent evolution of land uses (e.g., logging and mining activities) and morphological characteristics of the watershed (e.g., mean slope of the drainage area, vegetation cover) to total Hg concentrations (THg) in sedimentary records. In each core, THg gradually increased over recent years with maximum values between 70 and 370 ng/g, the lowest mercury concentrations corresponding to the pristine lake cores. The Hg Anthropogenic Sedimentary Enrichment Factor (ASEF) values range from 2 to 15. Surprisingly, we noticed that the presence of intense land uses in the watershed does not necessarily correspond to noticeable increases of THg in lake sediments, beyond the normal increment that can be attributed to Hg atmospheric deposition since the beginning of the industrial era. Rather, the terrestrial Hg inputs of boreal lakes appear to be influenced by watershed characteristics such as mean slopes and vegetation cover.
Synthesis, Characterization, and Thermal Properties of Nanoscale Lead-Free Solders on Multisegmented Metal Nanowires

Nanoscale lead-free solders (“nanosolders”) have been synthesized directly onto multisegmented metal nanowires using an electrodeposition method in nanoporous templates. The nanosolders fabricated include tin (Sn), tin/silver (Sn/Ag), and indium (In), and the diameter of the nanosolder nanowires ranges from 30 nm to 200 nm and the length from 1 to 10 μm. The microstructures of the lead-free nanosolders on nanowires have been characterized using optical microscopy and electron microscopy including a field-emission scanning electron microscope (FESEM) and a transmission electron microscope (TEM), along with energy-dispersive X-ray spectroscopy (EDS). Thermal properties of lead-free nanosolders on nanowires were characterized using a temperature-programmable furnace tube under a controlled atmosphere. It was found that nitrogen plays an important role in the nanosolder reflow process. The effect of base layer, barrier layer, and wetting layer on nanosolder reflow was studied, and an optimal nanowire nanosold.
Highly Efficient Phosphorescent Green Organic Light-Emitting Diodes with High Energy Gap Host Materials

We investigated the electroluminescent characteristics of three devices which were fabricated with a green phosphorescent emitter bis[2-(o-terphen-3-yl)pyridinato-C,N]iridium(III) (acetylacetonate) [(tppy)2Ir(acac)] doped in triphenylsilane-based host materials, such as 4,4′-bis(triphenylsilyl)biphenyl (BSB), 9,9′-spirobifluorene-2-yltriphenylsilane (SFS) and (4-(10-(naphthalene-2-yl)anthracen-9-yl)phenyl)triphenylsilane (ANPTPS), which have the different the triplet energy levels (E T) of 2.61 eV, 2.64 eV and <1.91 eV, respectively. Among those, two devices using BSB and SFS hosts with the suitable E T energy levels to green phosphorescent dopant exhibited the highly efficient green electrophosphorescence with the maximum luminous efficiencies of 51.3 cd/A and 46.6 cd/A, respectively, and the maximum quantum efficiencies of 13.9% and 12.4%, respectively.
Interlaboratory CEC and Exchangeable Cation Study of Bentonite Buffer Materials: II. Alternative Methods

Bentonites are candidate materials for encapsulation of radioactive waste. The cation exchange capacity (CEC) has proven to be one of the most sensitive parameters for detecting changes in mineral properties in bentonite-alteration experiments. An interlaboratory study of CECs and exchangeable cations for three reference bentonite buffer materials that were used in the Alternative Buffer Material test (ABM) project in Äspö, Sweden, was conducted to create a suitable database. The present study focused on CEC accuracy and compared CEC methods where care was taken to prevent dissolution of soluble minerals such as calcite and gypsum. The overall quality of the CEC and exchangeable cation values measured using non-Cu-trien CEC methods were good, with CECs of 74–91±0.5–3.3 meq/100 g and exchangeable cation values of 22–61±1.2–3.9 meq/100 g Na+, 7–23±0.8–1.5 meq/100 g Mg2+, and 19–39±0.8–1.6 meq/ 100 g Ca2+. The precision was comparable to the standard Cu-trien method even for exchangeable Ca2+, although the laboratories used different solution/solid ratios and reaction-time parameters for Cu-trien which affect carbonate dissolution. The MX80 and Dep.CAN bentonite exchangeable Ca2+ values were more accurate than standard-Cu-trien values. Using the optimized methods of this study, MX80 and Dep.CAN exchangeable Ca2+ values averaged 20.2±1.6 and 38.8±1.4 meq/100 g which amounts to ~70% of the inflated Cu-trien values. A more complex analysis of the CEC data using different methods, anion analyses, and mineralogical analysis is necessary to obtain plausible and accurate CEC values. Even with a more complicated analytical procedure, the CEC and exchangeable cation values were still not accurate enough because of excess anions. Chloride, sulfate, and dolomite might have increased the exchangeable Na+, Mg2+, and Ca2+ values.
Heavy metal concentration in water, sediments, freshwater mussels and fishes of the River Shitalakhya, Bangladesh.

This study was undertaken to study the concentration of some heavy metals in the water and sediment samples and their bioaccumulations in freshwater fish and mussels of the Shitalakhya River. In water samples, concentration of Ni ranged from 4.31 to 7.83 μg/L, Pb 41.24 to 63.15 μg/L, Cd 7.12 to 10.11 μg/L, Cr 192.18 to 234.32 μg/L, and Cu 156.38 to 254.07 μg/L at different sampling stations during pre-monsoon, monsoon and postmonsoon. In sediment samples, Ni ranged from 120.96 to 131.94 mg/kg, Pb 54.52 to 65.90 mg/kg, Cd 1.71 to 2.17 mg/kg, Cr 60.09 to 91.02 mg/kg, and Cu 56.07 to 91.51 mg/kg in dry weight basis at different stations during different seasons. In Puntius sophore, Ni ranged from 9.07 to 13.01 mg/kg, Pb 8.01 to 10.09 mg/kg, Cd 0.85 to 1.13 mg/kg, Cr 2.94 to 4.01 mg/kg, and Cu 4.92 to 5.27 mg/kg in dry weight basis during different seasons. In Glossogobius giuris, Ni ranged from 10.53 to 11.32 mg/kg, Pb 7.17 to 9.17 mg/kg, Cd 0.81 to 1.07 mg/kg, Cr 3.13 to 3.37 mg/kg, and Cu 5.19 to 6.03 mg/kg in dry weight basis during different seasons. In the muscles of the freshwater mussels (Lamellidens marginalis), Ni ranged from 8.19 to 9.07 mg/kg, Pb 9.16 to 13.09 mg/kg, Cd 1.09 to 1.21 mg/kg, Cr 8.12 to 9.07 mg/kg, and Cu 5.47 to 8.19 mg/kg in dry weight basis during different seasons. These variations of metal concentrations in fish and freshwater mussels in our study are likely to be due to the different sampling locations, seasons, weight and age of the organisms. The present study found much higher concentration of heavy metals in water, sediment and aquatic animals than standard value of WHO and EQS.
CHEMICAL CHARACTERISATION OF HIBISCUS SABDARIFFA (ROSELLE) CALYCES AND EVALUATION OF ITS FUNCTIONAL POTENTIAL IN THE FOOD INDUSTRY

Antioxidant capacity, phytochemicals, phyto-nutrients and bioactive compounds, have all become buzzwords in the growing market for natural health food-products and speciality juice drinks. The main objective of this study was to determine the bioactive compounds in the calyces of Hibiscus sabdariffa L. and evaluate its functional potential hence provide an incentive to production, processing and consumption of roselle in Kenya where it is not widely cultivated and utilized. Proximate composition was determined using established AOAC methods. Antioxidant activity (AA) color degradation index (CDI) and were carried using 1-1 diphenyl picryl hydrazyl radical (DPPH) and hunters color meter respectively. HPLC, UV-visible spectrophotometer and atomic absorption spectrophotometer (AAS) were used to determine water soluble vitamins (WSV), total polyphenolic content (TPC) and mineral composition respectively. Product formulations were done and their consumer acceptability determined based on a 9-point hedonic. It was found that the properties of roselle extract before and after pasteurization included pH of 3.88 ± 0.00 and 3.42 ± 0.01, total acidity (as malic acid) of 2.24 ± 0.00 and 2.24 ± 0.03 %, total phenolic contents of 6.06 ± 0.18 and 5.82 ± 0.01 mg/g roselle extract, respectively. The antioxidant activities using DPPH assay with ascorbic acid standard, expressed as EC50 (Efficient Concentration) were 230.01 ± 2.40 and 235.34 ± 0.79 μg/ml, respectively. Iron and calcium were content was 8.59 ± 0.31 and 14.83 ± 0.60 mg/100g respectively. After sensory analysis, the pure roselle drink was generally more acceptable in taste, flavor, aroma, consistency and overall characteristics with an average overall score of 7.6 out of 9 in comparison with Rosela orange drink, rosella apple drink and rosella melon drink. These properties give roselle the potential as a functional ingredient in beverage manufacture and other applications such as utilisation in polymeric natural color development. Roselle can also be applied in the food industry for manufacture of red wine and roselle fruit flavored preserves, thus exhibiting great potential in commercial application in the food and pharmaceutical industry. More studies for in-vivo properties of Roselle extracts are however needed, to further substantiate the health claims of roselle extract in human nutrition.
New chitosan formulation prevents grapevine powdery mildew infection and improves polyphenol content and free radical scavenging activity of grape and wine

Background and Aims: Chitosan, a chitin deacetylated derivative, is a biopolymer able to elicit the plant defence machinery against a variety of pathogens. In crop protection, it is successfully employed for its low toxicity, mainly against virus diseases. In this study, the efficacy of a new chitosan formulation (Kendal Cops® (Kc)) was evaluated in grapevine against powdery mildew infection. Total polyphenol (TP) content and antiradical power of different grape tissues and of experimental wines produced from treated grapes were also assessed. Methods and Results: Field treatments with different Kc dilutions or with Kc alternated or mixed with fungicides, or with fungicides alone (penconazole and methyldinocap) were carried out in an experimental vineyard of the cv. Montepulciano d’Abruzzo. Kc was effective in controlling powdery mildew, particularly at the concentration of 0.1%, even under high disease pressure conditions. In this case, disease severity was 2.39% in treated grapes, compared with 87.5 and 0.92% in untreated and conventional fungicide-treated grapevines, respectively. TP content, measured by Folin‐Ciocalteau colorimetric assay, was significantly higher in all Kc-treated grape tissues, compared with both untreated controls and fungicide-treated grapes. A similar trend was reported with regard to the antioxidant activity, assessed by 2,2-diphenyl-1-pycryl hydrazyl free radical scavenging test. Analysis of wines showed that both TPs and antiradical power were significantly higher in wines made from Kc-treated grapes compared with fungicide-treated ones. Conclusions: Kc not only protected grapevine from powdery mildew but also improved TP content and antioxidant activity in both grapes and wine. Significance of the Study: The possibility of using plant defence inducers in crop protection deserves particular attention because of their low environmental impact and of their ability to improve some quality traits of plant foodstuffs. Furthermore, in contrast to fungicides, they hardly select resistant pathogen strains and do not incur fitness costs for the plant.
Phenolic compounds in some apple (Malus domestica Borkh) cultivars of organic and integrated production

Eleven organically grown apple cultivars and 11 apple cultivars of integrated production from Austria and Slovenia were analyzed by HPLC for the content of phenolic compounds in peel and pulp. We identified chlorogenic acid, p-coumaric acid, procyanidin B3, protocatechuic acid, (−)-epicatechin, phloridzin, rutin and quercetin-3-rhamnoside in apple peel. In apple pulp, (+)-catechin was also identified in all the cultivars. Some other phenols (procyanidin B3, rutin and quercetin-3-rhamnoside) could not be identified or were not properly separated. With regard to the phenolic content in the apple peel, there were no differences between organically grown apple cultivars and apple cultivars of integrated production. Organically grown apples, however, exhibited a higher content of phenolic substances in the apple pulp compared with the apple cultivars of integrated production. This may be due either to the different genotype source or to the growing technology. Higher concentrations of phenolic compounds in organically grown cultivars could be a result of plant response to stress. The apple peel contained higher concentrations of identified phenols than the pulp. The apple peel represents up to 10% of the whole fruit; therefore the phenolsic compounds in the pulp are of greater importance to the consumer than the phenolic compounds in the peel. Copyright © 2005 Society of Chemical Industry