Miracle-dz/UniFAR-FTUs huggingface dataset:
A new interatomic potential model for calcite; applications to lattice dynamics studies, phase transition, and isotope fractionation

A microscopic model for calcite and aragonite has been developed that includes short range repulsive atom-atom interactions; two-, three-, and four-body potentials; and longrange Coulomb interactions. The structures and elastic constants of both phases are reproduced satisfactorily, as are the phonon frequencies for calcite. The observed softening of a transverse acoustic phonon in the [1,0,4] direction in calcite is reproduced by our model. Applications of the model include the calculation of reduced fractionation coefficients for 160/180 of calcite and isotope exchange coefficients of calcite and H20 that are in reasonably good agreement with experimental data. The lattice parameters of the hightemperature disordered phase of calcite have been calculated and are in good agreement with experimental data. It is inferred that the temperature dependence of the spontaneous strain accompanying the phase transition in calcite is due to short range order of the C03 groups, which also explains the anomalous negative thermal expansion along [100].
EFFECTS OF HOT‐WATER EXTRACTS FROM MYRTLE, ROSEMARY, NETTLE AND LEMON BALM LEAVES ON LIPID OXIDATION AND COLOR OF BEEF PATTIES DURING FROZEN STORAGE

ABSTRACT The effects of hot-water extracts from myrtle, rosemary, nettle and lemon balm leaves on lipid oxidation and the color properties of beef patties during frozen storage were studied. Ground beef was treated with salt (1.5%) and five types of samples were prepared: control (no extract), 10% myrtle extract added, 10% rosemary extract added, 10% nettle extract added and 10% lemon balm extract added. Each group was adjusted to a fat content of 20% by the addition of backfat. Patties (25 g) were wrapped with polyethylene film and stored at −20 ± 2C for 120 days. Oxidative and sensory changes were evaluated after 0, 30, 60, 90 and 120 days of storage. Hot-water extracts from myrtle, rosemary, nettle and lemon balm leaves affected peroxide value (POV), thiobarbituric acid-reactive substances (TBARS), color (except L value) and sensory properties of beef patties. Hot-water extracts from myrtle, rosemary, nettle and lemon balm leaves slowed down the lipid oxidation of beef patties. While myrtle and rosemary extracts showed the highest antioxidant effects, the effects of nettle and lemon balm extracts were lower. Myrtle extract protected the color properties of frozen beef patties. In terms of overall acceptability, myrtle and rosemary extracts were given the highest points by the panelists. Storage time affected pH, POV, TBARS, color (except L and b values) and sensory properties of beef patties. The addition of hot-water extracts from myrtle leaves at 10% ratio to the frozen storage of beef patties prevents development of oxidative processes in lipids and changes in color. PRACTICAL APPLICATIONS Lipid oxidation is one of the primary causes of quality losses in frozen stored meat and meat products. One of the methods for protection against oxidation is to use antioxidants. Hot-water extracts from myrtle and rosemary slowed down the lipid oxidation and prevented color changes of beef patties. According to these results, hot-water extracts of myrtle and rosemary can be used to extend the shelf life of meat patties and other meat products.
Oil-mineral fine interactions facilitate oil biodegradation in seawater

An interaction with fine mineral particles accelerates the removal and dispersion of stranded oil from spill impacted coastal regions. Shaker flask experiments under simulated environmental conditions were conducted to measure the significance of this intrinsic oil spill remediation process for the coastal marine environment. Results show that numerous crude and refined oil products produce stable micro-aggregates. Experiments conducted with a weathered crude oil over a 56 day period (10 °C) indicated that oil-mineral fine interactions stimulated bacterial growth and the rate and extent of hydrocarbon degradation. At the end of the experimental period, only 25% compared to 48% of the n-alkane fraction (n-C15 to n-C35) remained in flasks treated with and without mineral fines, respectively. Similarly, the percent total target aromatics remaining was substantially lower in mineral fine amended samples (8%) than in oiled controls (25%). These results support the application of shoreline clean-up techniques b.
Microbioreactor design for 3‐D cell cultivation to create a pharmacological screening system

A biocompatible cell culture environment that enables continued existence of three dimensionally aggregated cells in a polycarbonate‐based scaffold structure was developed. A micro structured polymeric scaffold allows perfusion of cells due to a microporous structure generated by ion track etching and micro thermoforming. Biocompatibility and sterilizability was approved for the whole system. As oxygenation and mass transport within a closed system is most relevant for 3‐D cell culture, two approaches of pumping systems were tested. The human hepatocarcinoma cell line HepG2 was used to examine basic cytological parameters in response to the enviroment. Our data indicate that an actively perfused 3‐D cell culture induces a more differentiated phenotype in HepG2 cells than the 2‐D setup. Thus, our results provide further support to the theory that 3‐D‐cultivated cells display a non‐proliferative behavior. In this respect, 3‐D cultures resemble in vivo conditions more closely. Microreactors are widely applied for organic syntheses, but can also be used for screening applications in drug discovery and medical research. The bioreactor versions presented here were equipped with active fluidic components.
GROWTH AND PHYSIOLOGICAL RESPONSE OF HYDROPONICALLY-GROWN SUNFLOWER AS AFFECTED BY SALINITY AND MAGNESIUM LEVELS

The effects of NaCl and magnesium levels (Mg2+) on the physiological response of sunflower were investigated. Plants were grown for 54 days in hydroponic culture with NaCl (100 mM) or without NaCl and four concentrations of Mg2+: 0, 0.4, 1.0 and 5.0 mM. At the end of the vegetative growing cycle of sunflower, salt stress reduced leaf area development by 51% and dry matter accumulation by 37% as compared to non saline-treated plants; at this stage, considering the percent reduction of partitioned plant dry matter, roots (42%) and leaves (35%) showed to be more salt-sensitive than stem. Growth reduction was related to the drop in net CO2 assimilation rate and stomatal conductance, which started declining later during the vegetative growth period when leaf ion concentration started increasing. The investigated genotype was unable to exclude ions and significant amounts of Cl− (about 1700 μmol g−1 DW) and lesser Na+ (700 μmol g−1 DW) accumulated in the leaves. The decline in net CO2 assimilation was well correlated to the increase in leaf Cl− concentration (r2 = 0.71) and not to leaf Na+ concentration (r2 = 0.33). The results suggest that, though sunflower develops an endogenous protection system by which it redistributes this ions in the whole plant, with more ions accumulating in roots and older leaves, growth reduction may be attributed to specific toxic effects of Cl− on photosynthetic functionality. In both saline and non saline conditions, little or no significant differences in growth parameters of plants exposed to a range from 0.4 to 5 mM of Mg2+ were observed. Whereas, its deficiency caused a drastic reduction of dry matter accumulation up to 90%, due to progressive decline in CO2 assimilation rate and chlorophyll content, with imbalances in Ca2+, Mg2+ and K+.
Densification of silica glass under pressure

We present the results of a simulation study of the effects of pressure on structural changes in silica glass. We observe structural relaxations in glass under pressure that involve large atomic displacements and are accompanied by breaking of the original bonds and forming of new ones. A large proportion of the new topological arrangements formed during pressurizing are preserved in structures on decompression, resulting in the irreversibility of topological changes. Substantial rebonding makes the mechanism of densification in glass essentially different from that present in transitions between crystalline silicas. We find that higher temperature promotes the degree of rebonding and densification in decompressed structure.
MIXED CONVECTION IN A COUPLE STRESS FLUID WITH SORET AND DUFOUR EFFECTS

An analysis is presented to investigate the Soret and Dufour effects on the mixed convection heat and mass transfer along a semi-infinite vertical plate embedded in a couple stress fluid. The governing non-linear partial differential equations are transformed into a system of ordinary differential equations using similarity transformations and then solved numerically. Special cases of the present investigation are compared with previously published work and found to be in good agreement. Profiles of dimensionless velocity, temperature and concentration are shown graphically for various values of Dufour number (Df), Soret number (Sr) and Couple stress parameter (Cα). In addition, the numerical values of physical quantities such as the local Nusselt number and the local sherwood numbers are presented in tabular form.
Effect of Cilostazol in Alleviating Cardiovascular Complications through Regulation of Type 1 Plasminogen Activator Inhibitor and Transforming Growth Factor-β1 Overexpression in Experimental Rats

Cilostazol is a potent phosphodiesterase inhibitor; its major effects are prevention of platelet aggregation and dilation of blood vessels via an increase in tissue cAMP levels. This study examined the effect of cilostazol on serum cAMP, type 1 plasminogen activator inhibitor and transforming growth factor-β1 in relation to alleviating cardiovascular complications. This was achieved in rats through administration of L-NAME (0.1 mg/ml) for two weeks, and then followed by i.p. single dose of streptozotocin (65mg/kg). Rats were classified to three groups; normal rats, control diabetic hypertensive rats and the third group was treated with cilostazol (1.8 mg daily, orally) for six weeks. Cilostazol improved serum cAMP level and increased plasma NO concentration leading to dilation of blood vessels. In addition, cilostazol has beneficial lipoprotein-modifying effect. Cilostazol treatment confirmed the positive correlation between plasma PAI-1 activity and serum TGF-β1 which is beneficial in reducing the hazards of cardiovascular complications. Thus, cilostazol therapy provides a broad spectrum of effects in alleviating cardiovascular complications induced in experimental animals.
Comparative evaluation of copper, cobalt, cadmium and iron scavenging efficiency by in-vivo and in-vitro grown Momordica charantia using atomic absorption spectroscopy.

Phytoextraction, the use of hyperaccumulator plant species to scavenge toxic heavy metals from contaminated soils are considered as an emerging technique for cost effective and environment friendly detoxification. The present study was conducted to evaluate and compare the scavenging efficiency of in-vivo and in-vitro grown Momordica charantia for the uptake of copper , cobalt, cadmium and iron using atomic absorption spectroscopy (AAS). In-vitro plants were cultured on a mixture of 2,4D (2.5 mg/L) and NAA (2.0 mg/L) in MS basal medium. Bioassays of in-vitro and field grown (In-vivo ) M. charantia plants were subjected to atomic absorption spectrophotometer for the analysis of scavenging efficiency of the aforementioned four elements, after a 30 days of growth in soils, contaminated with each of these, separately. The in-vitro M. charantia absorbed much lesser amounts, that is, 0.79, 1.05, 0.45 and 1.61 ppm as compared to field grown plants which showed higher ranges of uptake, that is, 2.09, 10.39, 4.77 and 8.29 ppm for Cu, Co, Cd and Fe, respectively. The metal uptake ratios were proportional to their concentrations in the contaminated soils. Maximum uptake for all the four heavy metals was observed by the roots in all plants, due to localization of their ions in the apoplasm. Nodes also showed high heavy metal accumulation in the aerial region of the plant exhibiting their role during xylem-phloem transportation. Higher concentration of heavy metals in the soil showed a negative effect on their growth.
Further evidence of elemental composition as an indicator of the bioavailability of humic substances to bacteria

Batch culture experiments examined the ability of an isolated bacterial community to utilize four humic substances with similar molecular size but variable elemental composition. Univariate and multivariate linear regression analysis of the results provided evidence of a significant positive relationship between the N:C ratio and bacterial concentrations. In contrast, neither H:C nor O:C ratios were significant predictors of humic substances bioavailability, and their inclusion in the multivariate model provided no further explanatory power compared with the univariate model using N:C as the single independent variable. These findings suggest that N:C ratios provide the best indicator of bioavailability for complex, recalcitrant carbon moieties typical of many aquatic systems.
Degradation of AR 97 aqueous solution by combination of ultrasound and Fenton reagent

An efficient and convenient degradation of AR 97 (C.I. Acid Red 97) in aqueous solution by the combination of ultrasound and Fenton reagent was reported. The various affecting factors were studied. Under ultrasound, the degradation ratio is 99.9% for the initial concentration of 50 mg L−1 using 1.57 mmol L−1 H2O2, 0.054 mmol L−1 Fe2+ at 40°C within 140 min. The combination method was more effective than sonolysis or Fenton reagent process treatment individually. In the combined process, the effect of the kind of anions (Cl−, SO42−, and H2PO4−) and Fenton‐like reagents (Cu2+/H2O2, Co2+/H2O2, and Mn2+/H2O2) on degradation was also observed. Except for SO42−, others had a negative effect on degradation. © 2009 American Institute of Chemical Engineers Environ Prog, 2010
Macronutrients released during the decomposition of pruning residues used as plant cover and their effect on soil fertility

SUMMARY The arrival on the market of various types of mulchers and chippers has boosted the use of pruning residues as plant cover among olive growers. In order to increase knowledge regarding the decomposition of these types of residues and their effect on soil fertility, an experiment was performed using different doses and sizes of pruning residues applied on the areas between the lines of olive trees in an organic olive grove. Experiments were conducted over a period of two growing seasons (2009/10 and 2010/11). Treatments consisted of fine (⩽8 cm in diameter) and thick (>8 cm in diameter) pruning residues in the amounts indicated, I=2·65 kg/m2 fine; II=2·65 kg/m2 fine+1·12 kg/m2 thick; III=5·30 kg/m2 fine; IV=5·30 kg/m2 fine+2·24 kg/m2 thick; and a control without residues. As regards the loss of biomass and nutrients during the decomposition of residues, two phases were observed. First, soluble compounds were degraded during a rapid initial phase, while in a second and slower phase, lignocellulosic compounds were decomposed. As a result, the pattern over time of nitrogen (N), phosphorus (P) and potassium (K) release fitted a double exponential model better, regardless of the treatment considered, registering in most cases determination coefficients close to one. The favourable results observed in terms of augmentation in N, P and K soil content following the application of pruning residues confirmed a greater improvement in soil fertility than the soil covered by spontaneous weeds, which is the option most frequently adopted by organic olive growers. The initial amount of pruning residues has influenced the amount of soil nutrients. Considering the entirety of the soil profile (0–40 cm) and the content of these elements in the soil, treatment III, which contained the largest amount of fine residues, was the most efficient in terms of improving soil fertility, recording increases in the concentration of N, P and K of 1805·4, 53·1 and 598·7 kg/ha, respectively. The most unfavourable results were recorded by treatment I, with increases of 480·9 kg/ha in the case of N and a decrease in P content with regard to the control sample. Treatment II increased K (recording 215·2 kg/ha) which was the least in comparison to the control sample.
Sliding mode control in a two-axis gimbal system

This paper considers the performance of a two-axis gimbal system, which is typical of surface-to-air, air-to-air, and air-to-surface tactical missiles, when Sliding Mode Control is utilized. A representative gimbal system consisting of a flat planar antenna, pitch/yaw gimbals, connecting push rods, and separate armature controlled DC drive motors for the pitch and yaw gimbals is utilized to develop the theory and to serve as a testbed for digital simulation. The equations describing the gimbal system under consideration are highly nonlinear and include terms which are not accurately known or can not be accurately measured during the missile's flight. It is shown that the use of variable structure control or sliding mode control can be used to provide robust seeker performance in the face of nonlinearities and uncertainties.
Physical Properties of Quenched Glasses in the Li2O‐ZrO2‐SiO2 System

The behavior and some physical and thermal properties of a 30 Li{sub 2}O-70SiO{sub 2} base glass composition with addition of ZrSiO{sub 4} in the as-quenched state was investigated with the aid of X-ray diffraction (XRD), differential thermal analysis (DTA), thermal expansion and microhardness measurements, as well as density measurements. Transparent glasses prepared by the addition of ZrSiO{sub 4} up to 10.30 mol% were obtained. ZrSiO{sub 4} was found to decrease the expansion coefficient of the investigated glasses from 11.0 {times} 10{sup {minus}6} to 7.96 {times} 10{sup {minus}6}C{sup {minus}1}. The glass transition and softening point temperatures of the glasses showed a reverse behavior. On the other hand, both hardness and density increased for successive increases of the ZrSiO{sub 4} amounts, with the highest values of 6.3 GPa and 2.65 g/cm{sup 3}, respectively.
Chemical and biological analysis of endocrine‐disrupting hormones and estrogenic activity in an advanced sewage treatment plant

The steroid hormones estrone (E1), 17β‐estradiol (E2), estriol (E3), 17α‐ethinylestradiol (EE2), and their conjugated forms were surveyed throughout an advanced sewage treatment plant (STP). The estrogen concentrations in water and sludge samples, collected in October 2004 and April 2005, were determined by gas chromatography‐mass spectrometry and liquid chromatography‐tandem mass spectrometry. Simultaneously, the estrogenic activity was quantified using estrogen‐responsive reporter cell lines (MELN) to investigate the behavior of overall estrogenic compounds. The estrogen concentrations in the inlet ranged from 200 to 500 ng/L, with the contribution of conjugated forms being higher than 50%. The major estrogens in influent were E1 and E3. The estrogenic activity was between 25 and 130 ng/L of E2 equivalents (EEQs). Estrogen concentrations and estrogenicity measured in the inlet and in primary treated sewage were similar, showing a weak impact of primary treatment on hormone removal. In contrast, both estrogen concentration and estrogenicity decreased during biological treatment, with high removal efficiencies (>90%). Estrone, E2, and EE2 persisted in the treated water below 10 ng/L, whereas the estrogenicity was lower than 5 ng/L of EEQs. Estrogen mass flux in the effluent and sludge represented less than 2 and 4%, respectively, of the inlet. Consequently, the fraction of estrogens sorbed into the sludge was very small, and biodegradation was the main vehicle for estrogen elimination. This dual approach, comparing chemical and biological analysis, allowed us to confirm that most of the estrogenic activity occurring in this STP, which receives mainly domestic sewage, resulted from sex hormones.
Vacuum Drying of Barberry Fruit (Berberis vulgaris) and Selection of a Suitable Thin Layer Drying Model

In an investigation on kinetics of seedless barberry drying at 35, 45 and 55°C in vacuum and with water vapor and citric acid pre-treatments, the value of effective moisture Diffusivity (Deff) was calculated using the second Fick's diffusion equation, activation energy was determined and drying process was simulated by 10 common mathematical equations of thin layer-drying models. Results which were obtained from regression analysis of studied models showed that approximation of diffusion model had the best fitting for vacuum-drying of barberries through available data. Drying barberry took place in the falling rate drying period and pre-treated samples had higher drying rate. The effective diffusivity coefficient for vacuum-drying of barberry fruits was evaluated between 0.022810 -10 and 0.253810 -10 m 2 /s, which increased along with temperature rise. An Arrhenius equation for drying of seedless barberry with activation energy values ranged from 27.618 to 92.493 kJ/mol expressed the effect of temperature on moisture diffusivity.
Evaluation of the suitability of using large amounts of urban wastes for degraded arid soil restoration and C fixation

The addition of organic wastes is being used increasingly as a suitable method for the recovery of degraded semiarid soils. This, in turn, can contribute to the disposal of considerable amounts of these wastes. The aim of this work was to study how the application rate and maturity of the added organic waste influence the dynamics of the organic carbon (Corg) and its fixation and partitioning in different soil particle‐size fractions. For this, a semiarid degraded soil (S) was amended, at rates of 1.1 (d1) and 3.3 (d2) g Corg 100 g soil−1, with a mixture of organic domestic waste and aerobic sewage sludge at two different maturities (fresh, FR; composted, MC) and incubated for 9 months under controlled conditions. The association of Corg with different soil particle‐size fractions was determined at the start and end of the incubation period. The organic C mineralization rates were greatest in soils amended at the larger rate. Even so, after 9 months of incubation, the soils amended at the greater rate had significantly (P < 0.05) larger values of Corg than the soils amended at the smaller rate. The greater rate of addition of composted material resulted in the greatest C fixation, although the efficiency of fixation was greatest with the smaller rate; composted material was better than fresh material and the C was associated increasingly with the finer fractions as incubation progressed.