Miracle-dz/UniFAR-FTUs huggingface dataset:
Frequency analysis and filtering processing of gravity gradients data from GOCE

How to remove the low frequency error is a very critical job for GOCE data processing,since the error is so huge.This paper firstly analyzes the frequency characteristics of the gradients data in time domain,and derives the formula which can show the relationship between the degree and frequency;then two main filtering strategies which are remove-restore method and forward-backward filtering technique will be introduced.The former can solve the problem of low frequency signal loss in filtering processing and the latter can solve the phase drift problem.The final result shows that the formula given by this paper can show the relationship between the maximum cut-off frequency and degree of spherical harmonic model correctly.It also shows that the filtering method given by this paper is effective and can remove low frequency error but save signal in measurement band width.
Prediction of Intramolecular Charge-Transfer Excitation for Thermally Activated Delayed Fluorescence Molecules from a Descriptor-Tuned Density Functional

The reliability of time-dependent density functional theory (TDDFT) for the calculation of the charge-transfer (CT) excitation energy depends on the proportion of the Hartree–Fock (HF) exchange (α) in a hybrid functional. Here, we develop a new descriptor-tuning methodology to determine the optimal α (OHF) in a hybrid PBE functional (PBEα). The conventional transition-density-based descriptors are shown to be inappropriate to measure the degree of CT for our approach because of the functional-dependence. A new functional-independent descriptor K, defined as the negative growth rate of the exciton binding energy upon α, is then developed and found to be highly correlated with the OHF in the PBEα. Applying the so-called K-OHF method, the lowest singlet excitation energy and singlet–triplet energy splitting of various reported thermally activated delayed fluorescence (TADF) materials are successfully reproduced with mean absolute deviations of 0.07 and 0.09 eV, respectively, compared to the carefully measure.
Forecasting the One-period-ahead Volatility of the International Stock Indices: GARCH Model vs. GM(1,1)-GARCH Model

In this paper, we propose a hybrid model, denoted as GM(1,1)-GARCH, that combines the grey forecasting model with the GARCH model to enhance the one-step-ahead variance forecasting ability as compared to the traditional GARCH model. Due to the trite underlying volatility process is not observed, a range-based measure of ex post volatility is employed as a proxy for the unobservable volatility process in evaluating the forecasting ability. Four international stock indices are illustrated to carry out the empirical investigation, and out-of-sample periods are divided into all data, up-trending and down-trending ones. The results indicate that the one-step-ahead variance forecasts produced by GM(1,1)-GARCH(1,1) model have higher R^2 and lower MAE, RMSE and MAPE for most cases as compared to GARCH(1,1) model. As a whole, this results provides the evidences that the hybrid GM(1,1)-GARCH model could enhance one-period-ahead volatility forecasting ability of the traditional GARCH model.
Contributions of Centrality of Events and Personality to the relationship between Traumatic Events and Mental Disorders

t present, numerous studies research the integration of traumatic events to one´s identity, as well as their relationship with the development of mental disorders. Also, several investigations link this connection with centrality of events and with personality traits from the five-factor model. The aim of the present article is to conduct a literature review about explanations that underlie these theorized and empirically evidenced associations. The results of the review show that two of the events most frequently referred to as traumatic are the loss of a loved one and the experience of child maltreatment. At the same time, these are related to the subsequent development of complex bereavement and post-traumatic stress disorder (PTSD) respectively. Both centrality of events and personality traits have been shown to influence the development of mental disorders.
Selective production of glycols from xylitol over Ru on covalent triazine frameworks – suppressing decarbonylation reactions

Ru on covaltent triazine frameworks (CTF) are highly active and selective catalysts for the conversion of xylitol to glycols (80% C-yield) in basic media. With increasing N-content decarbonylation reactions are suppressed leading to high glycol selectivity. The suppression can be attributed to the presence of N in the support and to metal-support interactions. The catalysts exhibit high stability and could be recycled 5 times with minor loss of activity.
DEVELOPMENT AND VALIDATION OF DOUBLE DIVISOR RATIO SPECTRA DERIVATIVE SPECTROPHOTOMETRY METHOD FOR TERNARY MIXTURE OF GUAIFENESIN, DEXTROMETHORPHAN HBR, AND DIPHENHYDRAMINE HCL IN TABLET DOSAGE FORM

Objective: This study aimed to develop spectrophotometry method by double divisor ratio spectra derivative to determine the levels of guaifenesin (GUA), dextromethorphan hydrobromide (DMP), and diphenhydramine hydrochloride (DPH) in tablet dosage form using ethanol as solvent. Methods: The method is based on the use of the coincident spectra of the derivative of the ratio spectra obtained using a double divisor (sum of two spectra) and measuring at either the maximum or minimum wavelengths. Then, the method was applied to determine the levels of GUA, DMP, and DPH in tablet dosage form. Results: The application of double divisor ratio spectra derivative spectrophotometry method for the determination of GUA, DMP, and DPH was performed on the first derivative at Δλ 2 (λ 280.0 nm, λ 286.1 nm, and 260.2 nm, respectively). The selection of wavelengths based on wavelengths gives the best result. The mean % recoveries were found to be in 100.60%, 99.95%, and 101.74% for GUA, DMP, and DPH, respectively. Conclusion: The method is successfully applied to analyze GUA, DMP, and DPH in pharmaceutical formulation with no interference from excipients as indicated by the recovery study. All validation parameters were within the acceptable range.
Method for the separation of acids from chemical reaction mixtures by means of ionic fluids

The invention as to amino by removing the acid in the presence of an auxiliary base, a phosphine, Dia to unexposed to phosphine, phosphine trihaloalkyl, amino, phosphorous ester diamide, amino, phosphine, diamino-phosphine, phosphorous ester amide halogen and provides a method of producing goods, and amino-phosphine halide, in the method of the sub-base, and b) forming a salt at temperatures acids that desired product is not substantially decomposed during the process of separating the liquid salt and c) the auxiliary base salt forms of the desired product or the solution of the desired product and the immiscible two liquid phases in an appropriate solvent.
Large-signal modulation characteristics of a GaN-based micro-LED for Gbps visible-light communication

The large-signal modulation characteristics of a GaN-based micro-LED have been studied for Gbps visible-light communication. With an increasing signal modulation depth the modulation bandwidth decreases, which matches up with the increase in the sum of the signal rise time and fall time. By simulating the band diagram and the carrier recombination rate of the micro-LED under large-signal modulation, carrier recombination and the carrier sweep-out effect are analyzed and found to be the dominant mechanisms behind the variation of modulation bandwidth. These results give further insight into improving the modulation bandwidth for high-speed visible-light communication.
The Effect of Ionic Liquids With (–)-Menthol Derivative Containing a Chloride Anion to Weed

Abstract Weeds constitute a huge group of undesirable plants, widespread throughout the world. They represent a big problem for most farmers, who implement different methods to fight against them. Thanks to their wide occurrence, weeds however, can be an excellent indicator of the quality of soil and the whole environment where they are present. In this paper, we present the impact of four alkylimidazolium chlorides with a natural terpene component introduced into the soil: (1R,2S,5R)-(–)-menthol and alkyl substituents containing 1, 4, 9 or 12 carbon atoms, on the growth and development of selected weed species. Compounds with the highest phytotoxic activity towards gallant soldier, white goosefoot and common sorrel were chlorides with methyl and butyl substituents, while compounds with nonyl and dodecyl substituents demonstrated a weak effect on these weeds. Phytotoxicity of the salts tested was largely dependent on the applied concentration of the compound and the genetic make-up of plant species used in the experiment. This was reflected in the inhibition of plants’ length and their roots, as well as changes in the content of dry matter and photosynthetic pigments.
Elucidating the effect of different amino-functionalized spherical mesoporous silica characteristics on ribonucleic acid selectivity and adsorption capacity

ABSTRACT Purifying ribonucleic acid (RNA) obtained from cells is an essential process in gene analysis and is generally performed using a polythymine oligonucleotide column and an organic solvent. However, these procedures are expensive and complicated. In the present study, we discovered that amino silica with a particle size of 50 nm was able to selectively adsorb RNA and investigated how varying the parameters of this material (i.e. mesopore existence, particle size, surface amino content, and pore diameter) affected the amount of RNA it could adsorb and its selective adsorption ability. Particle size and surface amino content were found to be important factors for RNA/deoxyribonucleic acid (DNA) value (RNA adsorption amount/DNA adsorption amount), and the presence of mesopores was found to promote the amount of nucleic acid that could be adsorbed. Mesoporous silica (MPS) with a particle size of 50 nm was synthesized using a 12/1 ratio of tetraethoxysilne/aminopropyltriethoxysilane, which acts as a silica source. The MPS was also found to have a high RNA adsorption capacity (272.6 μg/mg) and RNA selective adsorption ability (RNA/DNA value = 11.1). GRAPHICAL ABSTRACT
Use of Different Bioadsorbents for the Nitrate Removal from Water

Our life is very precious and water is one of the most important natural resource for the existence of our life. For the last two decades; there is an increased interest in the study of nitrate in the ground water . Earlier the nitrate concentration in the ground water was very low nearly 5ppm. However due to pollution the nitrate concentration in the water has increased considerably. In the environment, nitrogen is found in different forms like Nitrate (No3-), Nitrite (No2-), and Ammonia (NH3) and Nitrogen gas (N2). Nitrate pollution of water is mainly due to excessive use of fertilizers, human sewage and livestock manure. Nitrates presence in the potable water beyond permissible limits is the major issue today for the people living in the western Rajasthan. It is affecting their health badly. Infants, less than six months can be victim of nitrate poisoning “Methemoglobinemia”. (blue baby syndrome), Beside this gastric cancer , hypothyroidism, ,hormonal imbalance disorder, birth malformations and growing hypertension in the human beings is also attributed to the increased concentration of nitrate in the water. Therefore our prime objective was to remove nitrate from the contaminated water by an affordable and easy method. In this paper we have used activated charcoals of dried and fresh biomass of different bio adsorbents to remove nitrate from contaminated water . With the increase in pH the % removal efficiency was found to first increase and then decrease for different bioadsorbents. As bio adsorbents dose was increased from 0 . 1 to 0 . 5 gm, there was a general increase in the nitrate removal efficiency. There was an increase in the nitrate removal efficiency with the increase in the temperature. Normal contact time was 30 to 40 minutes for the maximum adsorption. The order for nitrate removal was Bael leaves >Mausambi Peel >Khejri leaves>orange peel>Lemon Peel>Ashok leaves. We used biochar of Bael leaves for further studies and it showed significant capacity for the nitrate removal . By kinetic study it was found to follow pseudo second first order kinetics and the analysis for isotherm equilibrium data using Freundlich, Langmuir and Tepkin equations by linear methods showed that it fitted well with all the three equations. Due to the high efficiency and economic consideration adsorbents technique is best among different methods and biochar of Bael leaf was found to be a great option for nitrate removal.
A self-assembly route to porous polyaniline/reduced graphene oxide composite materials with molecular-level uniformity for high-performance supercapacitors

Polyaniline/graphene composites constitute an important class of electrode materials for supercapacitors. In this paper, we designed a new self-assembly method for preparing polyaniline/reduced graphene oxide three-dimensional porous composite gels with molecular-level uniformity even at a very high PANI content (>80%). The method involves two successive self-assembly processes, namely, two-dimensional assembly of polyaniline on graphene oxide sheets in a water/N-methyl-2-pyrrolidone blend solvent, and three-dimensional reduction-assembly of the obtained polyaniline/graphene oxide composite sheets. The prepared polyaniline/reduced graphene oxide composite gels possess a three-dimensional porous network composed of reduced graphene oxide sheets, which are covered by polyaniline molecules with controlled content. Because of this favorable microstructure, the composite shows a high specific capacitance of 808 F g−1 (5717 mF cm−2) at a current density of 53.33 A g−1 (377.4 mA cm−2), as well as excellent rate performance. These results demonstrate that two-step self-assembly is a promising method for precisely controlling the microstructure of reduced graphene oxide based composite electrode materials.
Crystallization kinetics and Avrami index of Sb-doped Se–Te–Sn chalcogenide glasses

ABSTRACT Bulk amorphous samples of Sb-substituted Se78−xTe20Sn2Sbx (0 < x < 6) have been prepared using melt quench technique. The structure of Se78−xTe20Sn2Sbx (x = 0, 2, 4, 6) glassy alloys has been investigated using X-ray diffraction technique. Calorimetric studies of the prepared samples have been performed under non-isothermal conditions using differential scanning calorimetry (DSC) and glass transition temperature as well as crystallization temperature has been evaluated using DSC scans. The activation energy of crystallization kinetics (Ec) has been determined using model-free approaches such as Kissinger, Ozawa, Tang and Starink methods. The Avrami index (n) and frequency factor (Ko) have been calculated by Matusita and Augis–Benett method.
Effect of Drum Drying on the Colour, Functional and Pasting Properties of Sweetpotato-based Complementary Food

This study was conducted to understand the effect of drum drying on colour, functional and pasting properties of a sweetpotato-based complementary food. Four blends of complementary flours made up of Orange fleshed sweetpotato (OFSP), millet and soybean flours were formulated based on the nutrient strength of the individual flours. The functional, pasting properties and colour of the flour blends before and after drum drying was determined. Colour intensity (ΔE) and saturation (ΔC) of formulated products increased after drum drying. Water absorption capacity (WAC) of formulations ranged from 152.5 to 216.7%, swelling index (SI) from 6.65 to 7.73, bulk density (BD) from 0.787 to 0.827 g/ml and solubility from 17.78 to 20.32%. Drum drying conditions used reduced the WAC, SI, BD and solubility of the formulations. Though the drum drying conditions used did not reduce the pasting temperature, it was able to reduce the peak time and further reduce the peak viscosity, breakdown and setback viscosities. OFSP flour could be used to develop a complementary food with improved functional and pasting properties, when complemented with millet and soybean flours and processed through drum drying.
Extension rate of the straight jet in electrospinning of poly(N‐isopropyl acrylamide) solutions in dimethylformamide: Influences of flow rate and applied voltage

In the electrospinning process, the measurement of extension rate of the straight jet is not an easy task. In this study, the diameter profile of the tapering straight jet is determined with a laser light-scattering technique. Afterwards, the jet extension rate (e˙) is derived and used to compare with the solution-intrinsic rates, for example, the terminal relaxation rate and the Rouse relaxation rate. The extension rate of the straight jet depends on position: it is highest near the cone apex (region I) and decays to a constant value in the major jet (region II) until approaching the jet end (region III), at which the extension rate abruptly drops to nearly zero, that is, e˙I >e˙II ≫e˙III ∼ 0. The jet diameter in region III is independent of solution concentration and applied voltage, but is scaled to the flow rate with an exponent of ∼0.37. The derived exponent is consistent with a simple prediction based on the counterbalance between the stretching electric force and the compressive force induced by the air drag force. Provided that air friction becomes overwhelming at the straight jet end, the long electrified jet is likely to buckle, thereby triggering the instability of jet whipping. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017
Design and application of a stratified continuous rumen fermentation system

Two trials were aimed at finding the proper settings of a novel continuous-culture rumen fermenter (CCF) capable of maintaining the protozoa population and reduce the accumulation of undigested materials in the fermentation vessels. The CCF consists of 8 x 2 L glass bottles, warmed at 39°C and placed on a water proof magnetic stirrer. Bottles are closed with a rubber stopper, with an insert for the inflow of artificial saliva, and have the outflow at the base. In Experiment 1 was evaluated the effect of two stirring frequencies (continuous vs intermittent, S1 and S2) and two dilution rates (1.29 vs 1.04) on the pH level and on the counts of the protozoa population in the fermentation fluid. The pH reached a steady state after 4 d of fermentation and S1 bottles had lower pH than those S2 (6.50 vs 6.57, P<0.01). The protozoa in the rumen fluid (from 5.14*10 5 /ml) declined sharply in the first 3 d of fermentation and stabilized at about 13*10 3 /ml in the S2 flasks, while the S1 flasks had lower protozoa concentrations (about 0.8*10 3 /ml, P<0.001). The dilution rates had no effects on pH and protozoa. The Experiment 2 aimed to test the effects of varying the daily feed (F) amount (15, 20, 25, 30 g DM/d of a diet with 50:50 forage: concentrate ratio) on the organic matter (OM) digestibility (OMD) and on the fermentative patterns. In 2 fermentation runs of 8 d each, bottles were inoculated with 450 ml of rumen fluid and 1050 ml of artificial saliva, which was then in flowed at 78 ml/h. Lowering F reduced the OM accumulated inside the vessels (from 5.06 to 0.68 g/d; P<0.0001) but not affected the OMD between dietary treatments (range between 0.460 and 0.510). The reduction of F led to (P<0.001) a linear decrease in volatile fatty acids
Determination of theobromine and caffeine in some Malaysian beverages by liquid chromatography-time-offlight mass spectrometry

Purpose: To determine the concentration of theobromine (TB) and caffeine (CF) in tea and other beverages using liquid chromatography-time of flight-mass spectrometry (LC-TOF-MS). Methods: The extract of caffeine and theobromine from tea and other beverages was filtered by 0.45 μm nylon micro-syringe and then injected into a LC-ToF-MS system. Theobromine and caffeine were separated using Thermo Scientific C18-column (length 250 mm, width 2.1 mm and diameter 5 μm). Acetonitrile-methanol (ACN – MeOH, 3:1 v/v) was used as mobile phase B, while mobile phase A was 0.1 % FA in DIW. The volume injected was 30 μL at a rate of 0.3 mL/min. Results: Good linearity was obtained in the range of 0.3 – 400 and 0.2 – 200 mg/L for theobromine and caffeine, respectively (regression coefficient (R2) > 0.970). The limits of detection were 0.15 and 0.05 μg/mL for theobromine and caffeine, respectively. The highest concentrations of caffeine and theobromine determined in tea samples were 159.1 and 255.8 mg/L, respectively. Conclusion: Theobromine and caffeine have been successfully analysed in tea, coffee and soft drinks. LC-TOF-MS is an accurate and promising instrument for the determination of the studied compounds in beverages. Keywords: Theobromine, Caffeine, Tea, Coffee, LC-TOF/MS
GAS CHROMATOGRAPHY-MASS SPECTROMETRY ANALYSIS, IN VITRO CYTOTOXIC AND ANTIOXIDANT EFFICACY STUDIES ON CLEOME GYNANDRA L. (LEAVES): A TRADITIONAL DRUG SOURCE

Â Â Objective: This study was aimed to assess the phytoconstituents, cytotoxic, and antioxidant efficacy of ethyl extract of Cleome gynandra leaves.Methods: Qualitative phytochemical analysis with different solvent extracts was performed. Quantitative and gas chromatography-mass spectrometry (GC-MS) analysis of the extract was performed with ethyl acetate extract. The cytotoxic effect of the ethyl acetate extract was determined by 3-[4,5-dimethylthiazol-2-yl]2,5-diphenyltetrazolium bromide (MTT) assay on Michigan Cancer Foundation-7 (MCF-7) cells using taxol as standard and free radical scavenging ability using 1,1-diphenyl-2-picrylhydrazyl (DPPH). Results: Leaves extracts with different solvents revealed the presence of alkaloids, cardiac glycosides, flavonoids, phenols, and tannins. GC-MS analysis of ethyl acetate of the plant leaves showed the presence of n-hexadecanoic acid. The IC50 value of the ethyl acetate extract was found to be 90.2 I¼g/ml on MCF-7 cell line, and the extract was found to possess significant DPPH free radical scavenging activity.Conclusion: From the results, we conclude that the C. gynandra extract possesses antioxidant and antiproliferating activity against MCF-7 cells.
Volume Changes of Graphite Anodes Revisited: A Combined Operando X-ray Diffraction and In Situ Pressure Analysis Study

Lithium intercalation into graphite is one of the electrochemically best studied solid-state reactions, and its application in lithium-ion batteries was a pioneering step in the development of advanced electrochemical storage devices. Therefore, one might expect that virtually any aspect of this important reaction has been examined both qualitatively and quantitatively. All the more, it is surprising that there are only a few experimental studies on the volume expansion of graphite, especially under cycling conditions. To the best of our knowledge, there exists no comprehensive set of structural data as a function of lithium content. Here, we present this missing information using combined results from electrochemical testing and operando X-ray diffraction. The changes in lattice parameters and unit cell volume are examined and related to the different intercalation stages and phase transition regimes. A total volume expansion (from space-group-independent evaluation) of 13.2% is observed when C6 is fully.