Miracle-dz/UniFAR-FTUs huggingface dataset:
A study on the behavior of a cylindrical type Li‐Ion secondary battery under abnormal conditions

Li‐ion (lithium ion) secondary batteries are rechargeable batteries in which lithium ions move between the cathode and the anode. Lithium is not as safe as nickel cadmium (NiCd), and the Li‐ion battery can under some conditions increase in temperature and ignite abnormal conditions which includes overcharging, being subjected to an impact, or being hit by a projectile. Before studying causes of Li‐ion battery explosions, the term “abnormal condition” was defined. Next, to check the mechanical conditions, an impact test by a free falling object of 9.1 kg weight made of steel was carried out. After the impact test, the damage of the separator around the hollow of the jelly roll in the cell was observed. Following this, the same cell's electrochemical conditions were assessed through a heating test to determine the potential thermal runaway. Finally, to analyze the mechanical damage to the Li‐ion batteries during the charging and the impact test, a finite element analysis was performed using LS‐DYNA and ABAQUS software. A cylindrical type Li‐ion secondary battery was selected for the impact test, heating test, and simulation. The test and simulation results provided insights into the extent to which cylindrical cells can endure abnormal conditions.
Sur les carbonates basiques de fer (III): I. Carbonate basique de fer (III) amorphe

The preparation of a non-stoichiometric basic carbonate of iron (III) is described. The amounts of carbon dioxide and water can vary in large limits, depending on the way the samples are dried. The ratio of Fe2O3:CO2 in a fresh product is nearly one, but decomposition takes place already at room temperature and ambient humidity. When heated slowly, the carbon dioxide is given of in two clear steps, an intermediate product being formed at about 200°C. The basic iron (III) carbonate decomposes between 400° and 500°C to an α-Fe2O3 with still a small amount of carbon dioxide. The infrared spectra show that in the freshly prepared products the greater part of the CO ions are linked by two oxygen atoms to two iron atoms, and a smaller part probably only by one oxygen to one iron atom. In the intermediate product, part of the CO2_3 ions are linked by two oxygen atoms to one iron atom, or a hydrogenocarbonate group may be formed. The X-ray diagrams taken with Mo Kα rays show only two broad lines.
Rydberg–valence interactions in the Πg states of O2

Multiphoton ionization spectroscopy is used to characterize the (3sσ) 3Πg Rydberg state of O2. It is found that the 3Πg Rydberg state is very diffuse and has rotationally resolved structure for the v’=2 level only. The FWHM of rotational lines for both the (3sσ) 3,1Πg states is greater than the excitation bandwidth, indicating strong radiationless decay of the two states. Interactions with the nearby 3Πg and 1Πg valence states are invoked to explain the observed behavior.
Chemical, Lutein and Zeaxanthin Composition of Wheat-yellow Maize Bread for the Prevention of Atherosclerosis

The study examined the effect of substitution of wheat flour with yellow maize flour on the Lutein, Zeaxanthin and proximate composition as well as sensory properties of their bread samples. Standard procedures were used in the production of yellow maize flour. The blend ratios of wheat-yellow maize composite flour used in the production of the bread samples were 100:0 (control), 90:10, 80:20, 70:30, 60:40 and 50:50%, respectively. Results revealed that there were significant (p≤0.05) increases in the lutein 92.4 μg (100:0%) to 132.4 μg (50:50%) and zeaxanthin 225.0 μg (100:0%) to 580.3 μg (50:50%) content of the bread samples. The proximate composition of the bread samples however, revealed that the carbohydrate, protein and ash content of the bread samples decreased with increase in yellow maize flour. The increase in yellow maize flour however, significantly (p≤0.05) increased the fiber, fat and moisture content of the bread samples. Bread sample B (90:10) was generally the most accepted with an organoleptic score of 8.11, however, sample F (50:50) was the most preferred on the basis of color (7.78), flavor (7.78) and texture (7.58). It would be concluded that substitution of wheat flour with yellow maize flour could be employed to improve on the carotenoids composition of bread, increase their intake and confer protection on consumers against atherosclerosis. The low carbohydrate content of the bread samples could be employed to control spike in blood glucose levels, weight gain and in the management of diabetes. The high fibre content could be harnessed in the prevention and management of obesity and hyperlipideamia.
Chemical Composition and Antibacterial Activity of the Essential Oil of Callistemon viminalis (Gaertn.) G. Don Leaves from Colombia

Abstract The volatile constituents from leaves of Callistemon viminalis (Gaertn.) G Don grown in Colombia was studied by GC and GC-MS. Eighty-nine compounds were identified, of which the most prominent were 1,8-cineole (39.4 %), α-pinene (8.9 %), α-phellandrene (8.6 %) and α-terpineol (6.1 %). The in vitro antibacterial activity of the essential oil was studied against seven bacteria strains using the disc diffusion method. The essential oil exhibited strong zone of inhibitions against some bacteria such as Staphylococcus aureus (>20 mm), Listeria innocua (14 mm), and Enterobacter sakazakii (18 mm).
Volatile Secondary Metabolites from Colombian Croton malambo (Karst) by Different Extraction Methods and Repellent Activity of its Essential Oil

Abstract Croton malambo (Karst), is a small tree that grows in the northern Colombian coast and eastern Venezuela. Hydrodistillation (HD), microwave-assisted hydrodistillation (MWHD), simultaneous distillation-solvent extraction (SDE) and supercritical fluid (CO2) extraction (SFE), were employed to isolate volatile secondary metabolites from Colombian C. malambo (Karst) barks. The essential oil and extracts were analyzed by GC-MS. More than 20 individual components in the various extracts were identified. Methyl eugenol was the main component found in the HD and MWHD essential oils (63.5, 74.6 %), SDE and SFE extracts (67.1 and ca. 67.9 %<, respectively), followed by linalool (5.6, 3.4, 4.0 %), trans-β-caryophyllene (2.5, 2.6, 2.1 and 6.5 %) and trans-methyl isoeugenol (1.5, 1.9, 3.2 and 4.2 %). The oil obtained by HD presented a mean lethal concentration (LC50) against Artemia franciscana of 15.32 µg/mL and 2.20 µg/mL after 24 and 48 h exposition, respectively. These results show that C. malambo essential oil is an excellent source of methyl eugenol, but it is moderately cytotoxic. In addition, was evaluated the repellent activity of C. malambo essential oils against an important stored-product insect pest: Tribolium castaneum Herbst. These oils had high repellent effects on T. castaneum (92 % ± 3) at 0.2 µL/cm2 after 4 h of exposure.
Characterizing thermophotovoltaic cells

Performance of photovoltaic cells is often expressed in terms of conversion efficiency. For flat-plate and concentrator cells operating under natural sunlight, procedures have been established and standardized for determining their efficiency. These procedures rate the efficiency in terms of a reference temperature, reference total irradiance, reference spectral irradiance and a defined area. However, for thermophotovoltaic (TPV) devices, such reference conditions have not been established, resulting in large differences in efficiencies measured among various technologies and research groups. We discuss a strategy for determining a limited set of reference conditions to help compare TPV performance among technologies and groups. First, we measure the quantum efficiency and the current versus voltage (I–V) curves as a function of light-level and temperature. From this information, we can then determine the I–V characteristics at any current density for an arbitrary light source. We also present an alternative procedure to characterize PV cells in terms of the power produced divided by absorbed power. The discussion covers temperature, contacting, reference conditions and other measurement issues.
Vacuum-thermal-evaporation: the route for roll-to-roll production of large-area organic electronic circuits

Surprisingly little consideration is apparently being given to vacuum-evaporation as the route for the roll-to-roll (R2R) production of large-area organic electronic circuits. While considerable progress has been made by combining silicon lithographic approaches with solution processing, it is not obvious that these will be compatible with a low-cost, high-speed R2R process. Most efforts at achieving this ambition are directed at conventional solution printing approaches such as inkjet and gravure. This is surprising considering that vacuum-evaporation of organic semiconductors (OSCs) is already used commercially in the production of organic light emitting diode displays. Beginning from a discussion of the materials and geometrical parameters determining transistor performance and drawing on results from numerous publications, this review makes a case for vacuum-evaporation as an enabler of R2R organic circuit production. The potential of the vacuum route is benchmarked against solution approaches and found to be highly competitive. For example, evaporated small molecules tend to have higher mobility than printed OSCs. High resolution metal patterning on plastic films is already a low-cost commercial process for high-volume packaging applications. Similarly, solvent-free flash-evaporation and polymerization of thin films on plastic substrates is also a high-volume commercial process and has been shown capable of producing robust gate dielectrics. Reports of basic logic circuit elements produced in a vacuum R2R environment are reviewed and shown to be superior to all-solution printing approaches. Finally, the main issues that need to be resolved in order to fully develop the vacuum route to R2R circuit production are highlighted.
Multinuclear Magnetic Resonance and DFT Studies of the Poly(chlorotrifluoroethylene-alt-ethyl vinyl ether) Copolymers

Chlorotrifluoroethylene (CTFE) and ethyl vinyl ether (EVE) were reacted under radical conditions to produce the poly(CTFE-co-EVE) alternating copolymer, and a full 13C, 1H, and 19F NMR structural interpretation is offered. All spectra were characterized by broad signals resulting from the overlapping of different chemical shifts. This observation was rationalized by considering a complex mixture of diastereomerically related compounds, hence allowing an average assignment to be determined. A density functional theory (DFT) computational study of the isotropic magnetic shieldings with the GIAO and CSGT methods was performed to explore the diasteriomeric relationships between the single building blocks and their mutual influences along the polymer chain. The calculated results totally support the assignment of the experimental chemical shifts of two diasteriomeric sets of resonances indicating chiral center inversion, and not spin−spin J coupling interactions, as the main cause of spectral complexity.
Asymmetric Dihydroxylation of Cinnamonitrile to trans-3-((5S,6R)-5,6-Dihydroxycyclohexa-1,3-dienyl)-acrylonitrile using Chlorobenzene Dioxygenase in Escherichia coli (pTEZ30)

Asymmetric cis-dihydroxylations of aromat- ic compounds are catalyzed by bacterial dioxygenases. In order to prevent through conversion, either dihy- drodiol dehydrogenase blocked mutant strains or re- combinant bacterial cells are used as biocatalysts for synthetic purposes. We characterized the cis-dihy- droxylation of cinnamonitrile by chlorobenzene dioxy- genase (CDO) in recombinant E. coli on different reaction scales. The absolute stereochemistry of the product was determined to be trans-3-((5S,6R)-5,6-di- hydroxycyclohexa-1,3-dienyl)-acrylonitrile. The cells showed a maximum specific activity of 3.76 U/gcdw in shake-flask experiments. Stable expression of the dioxygenase genes in E. coli JM101 (pTEZ30) result- ed in increasingvolumetric productivities. The maxi- mum volumetric productivities of 80 and 92 mgprod- uct/L/h were achieved on 2-L and 30-L scales, respec- tively. The specific growth rate correlated with the volumetric productivity duringthe biotransforma- tions. An average volumetric productivity of 40 mg product/L/h in reactors on 2-L and 30-L scales result- ed in 0.96 and 16.4 gof isolated product at the end of the biotransformations. This points out the need for metabolically active cells and controllable expression systems for achievinghig h volumetric productivities for cofactor dependent biooxidations. We have now applied this concept for the asymmetric dihydroxyla- tion of the non-natural substrate cinnamonitrile using multicomponent CDO in tailored E. coli JM101 in long-term reactions.
Catalyst deactivation by coke in the transformation of aqueous ethanol into hydrocarbons. Kinetic modeling and acidity deterioration of the catalyst

Basic aspects (coke deposition, acidity deterioration) of the deactivation by coke of a catalyst (prepared from a HZSM-5 zeolite) used in the transformation of aqueous ethanol into hydrocarbons in the 350−450 °C range have been studied. The experiments were carried out in an isothermal fixed-bed reactor with feeds of ethene, mixtures of ethanol and water at different mass ratios, and diethyl ether. The importance of temperature and water content in the reaction medium on the mechanism of coke evolution is demonstrated. The effect of these variables on deactivation is explained by a kinetic model in which the role of coke precursors (ethene, light olefins, and gasoline) is considered. This role depends on the operating conditions, particularly the temperature.
An investigation of the polytypical structure of Sr0.2Ba0.8CoO3–δ by neutron powder diffraction

Abstract The preparation and characterization of two polymorphs of the title composition are described. One hexagonal perovskite, labeled as “H”, was synthesized by thermal treatment of reactive citrate precursor at 900 °C in high oxygen pressure (20 MPa) followed by slow cooling (10 °C/min) to room temperature. This 1D-structure displays a P63/mmc hexagonal space group with a thermal expansion of 13 × 10–6 K–1 between 100 and 900 °C. On the other hand, for the first time in such a Ba-rich composition, a highly oxygen-defective perovskite oxide cubic polymorph, labeled as “C”, was obtained from the citrate precursor heated in air and quenched in liquid N2 from 1000 °C and completely characterized. Neutron powder diffraction evidence that the obtained “C” phase posses a cubic Pm-3m space group and antiferromagnetic order at room temperature. The material can be formulated as Sr0.2Ba0. 8CoO2.27(1) where the high number of oxygen vacancies are random distributed with large thermal factors of 3.6 Å2 suggesting a considerable mobility. The evolution of the crystal structure of the 3C phase has been explored in situ by XRD thermo-diffractometry in complement with thermal analysis and thermal expansion. At approx.500 °C this phase irreversibly transforms to a hexagonal “H” phase and at 925 °C a new cubic perovskite “C” is identified, which is transformed again, upon cooling, into the “H” phase at 840 °C.
Macroscopic Pipe Flow of Micellar Solutions Investigated by Ultrasound Doppler Velocimetry

Abstract Macroscopic flow properties of viscoelastic surfactant solution are investigated in pressure driven pipe flow condition. We focus on an equimolar aqueous solution of cetylpyridinium chloride – sodium salicylate, which in simple shear flow exhibits a shear thinning, and at higher shear rates, a pronounced shear-thickening behavior associated with the formation of shear bands [1–6]. An ultrasound Doppler velocimetry method is used to detect these shear bands in pipe flow. The emitted ultrasonic beam is scattered by the moving sample and the time delay between emitted pulse and received echoes as well as the frequency shift is determined. This Doppler shift is related to the speed and the direction of the moving scatters and with this information, the velocity profile across the pipe is calculated [7]. The shape of the obtained velocity profile is used to determine the flow properties of the sample and the formation of shear bands at the tube's wall or within the bulk phase. For the investigated solution we do not observe shear band phenomena. This is contrary to previous investigations [5, 6, 8] where shear bands in the order of few tenth of a millimeter were found. Our results suggesting that the banded region is not detectable by the utilized UVP technique.
Determination of volatile carboxylic acids in animal wastes by (GC)2 of their benzyl esters

The C1 -C6 fatty acids present in various types of heterogeneous animal wastes were isolated by steam distillation and determined as benzyl esters by high resolution gas chromatography. Glass capillary columns, deactivated with barium carbonate and coated with UCON HB 5100, allowed the analysis of benzyl formate, acetate, propionate, isobutyrate, butyrate, isovalerate, valerate, and caproate in less than 20 minutes. Recovery tests, performed on more than 50 different samples, indicated a benzylation yield and an overall efficiency higher than 99%, with a standard deviation of 2.6% (C5) to 6.0% (C1). The absolute detection limit ranged from 0.3 picomole (caproic acid) to 1.0 picomole (formic acid).
Estimation of Linear Models of Coregionalization by Residual Maximum Likelihood

Observations of ancillary soil properties spatially correlated to a soil property of interest may be used to increase the precision and reduce the sampling costs of a geostatistical survey. The relationship between such coregionalized properties must be expressed as a linear model of coregionalization but the conventional estimator of the linear model of coregionalization is biased unless the mean value of each property is constant across the study region. However, the mean value of a soil property may vary according to a spatial trend or a deterministic relationship with other factors which vary within the study region. We therefore propose that a linear mixed model should be fitted to coregionalized soil properties by residual maximum likelihood. This approach simultaneously fits spatial trends or deterministic relationships and random effects to the observations with minimum bias. We implement a residual maximum likelihood estimator for coregionalized properties and suggest a criterion to decide what order of spatial trend and which deterministic relationships should be included in the model. The effectiveness of the estimator is proved upon simulated data and upon observations of zinc and cadmium concentrations from the Swiss Jura.
The effect of kisspeptin-10 on angiogenesis and tumor growth

Background and Aim: Kisspeptins (kp) bind to a coupled-G protein receptor, GPR54 or KISS-1R, to perform a variety of functions including modulation of processes involving angiogenesis such as tumor metastasis and invasion of trophoblast. In this study the effects of kp-10, the most active kisspeptin, on angiogenesis and tumor growth have been evaluated. Methods: Human umbilical vein endothelial cells (HUVECs) were treated with 10-100 or 500 nM kp-10 for 24 hours. Tube formation was evaluated in these groups and compared with nontreated cells with Matrigel-precoated 24-well culture dishes. In addition, treated adipose-derived mesenchymal stem cells with 10-100 or 500 nM kp-10 and nontreated cells were transfused via the tail vein to melanoma tumor bearing C57BL/6 mice. After 24 hours, the mice were scarified and number of vessels in tumor sections was evaluated by immunohistochemistry. Tumor size was measured with caliper and tumor volume was estimated. Kruskal-Wallis and Mann-Whitney tests were used to determine the difference between the treated and non-treated groups. Results: The results showed that kp-10 significantly increased angiogenesis at 100 nM compared to the other groups both in vitro and in vivo . Moreover, a significant increase in the tumor growth was observed at 100 nM of kp-10 compared to other groups. Conclusion: Our data demonstrated that kp-10 increases angiogenesis in tumor tissue, which may lead to increase in tumor size.
Investigations of the lysophospholipid composition of human neutrophils under different stimulation conditions by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry

Matrix-assisted laser desorption / ionization time-of-flight mass spectrometry (MALDI-TOF MS) is usually used for the analyses of proteins, carbohydrates and oligonucleotides. In spite of the number of advantages that MALDI-TOF MS exhibits for lipid analysis, this method has not often been applied in this field. In this paper we have extended our previous studies on the suitability of MALDI-TOF MS for the investigation of changes in the content of lipid-derived second messengers in organic extracts of human neutrophils. Qualitative differences in the lysophospholipid composition in organic extracts of the human neutrophils under different stimulation conditions could be easily observed by MALDI-TOF MS. Although there are still some methodological problems to be solved before this method can be routinely applied for the quantification of different lipid classes in complex biological mixtures (such as organic extracts of human neutrophils) it is shown here that MALDI-TOF MS possesses the capability to be used as a simple screening method for the investigation of the content of lipid-derived second messengers and of signalling pathways in cells.
Water Relations of Salvia splendens 'Bonfire' as Influenced by Potassium Nutrition and Moisture Stress Conditioning

The influence of K nutrition (25, 75, 150, 300, 450, and 600 mg K/liter) and moisture stress conditioning (MSC) (exposing plants to four sublethal dry-down cycles) on leaf water relations, evapotranspiration, growth, and nutrient content was determined for salvia (Salvia splendens F. Sellow 'Bonfire'). Potassium concentration and MSC had an interactive influence on osmotic potential at full ( π100) and zero ( π 0) turgor. Differences in osmotic potential between MSC and non-MSC plants for π100 and π0 increased with increasing K concentration. Increasing K concen- tration and MSC resulted in active osmotic adjustment and, consequently, increased cellular turgor potentials. Foliar K content increased with increasing K concentration and MSC. High K concentrations and MSC both reduced plant evapotranspiration on a per-plant and per-unit-leaf-area basis. Greatest shoot dry weight occurred for plants grown with 300 mg K/liter and non-MSC. Total leaf area increased with increasing K concentration, but MSC had little effect. Two ways that plants avoid drought stress and maintain turgor are by minimizing transpirational water loss and by osmotic adjustment (Kramer, 1983). Osmotic adjustment in plants is a decrease in cell osmotic potential (increase in solutes) beyond that explained by the concentrating effect on cell solutes by cellular water loss or reductions in cell volume (Jones and Turner, 1980; Kramer, 1983; Mengel and Kirkby, 1982).