Miracle-dz/UniFAR-FTUs huggingface dataset:
Hydrogen Peroxide Radical Scavenging and Total Antioxidant Activity of Hawthorn

The aim of this research is to determine H 2O2 radical scavenging and total antioxidant activity of Crataegus monogyna (hawthorn) water and ethanol extracts of leaves, fl owers and fruits. Hawthorn leaves, flowers, and ber ries are used in traditional medicine in the treatment of chronic heart fa ilure, high blood pressure, arrhythmia, and various digestive ailments, as well as geriatric and antiarteriosclerosis remedies . In this study, ethanol and water extracts were pr epared from powdered C. monogyna flowers, leaves and fruits. Antioxidant activities were measured by ferric thiocyanate method, H 2O2 radical scavenging assays with UV-Vis spectrophotometer. In conclusion, C. monogyna flowers, leaves and fruits had H 2O2 radical scavenging, total antioxidant activity, and these a ntioxidant activities were compared with BHA and α-tocopherol as reference antioxidants. The results of this study s how that the water and ethanol extracts of C. monogyna can be used as easily accessible source of natural antioxidants an d as a possible food supplement or in pharmaceutica l industry.
Effect of air-drying on phosphorus fractions in clay soil

Despite the publication of a number of papers dealing with the effect of drying on the soil labile P pool, less attention has been paid to the possible drying-evoked changes in the more stable P pools. We applied Hedley's sequential fractionation procedure that aims at quantifying soil P reserves according to their decreasing plant availability to examine the effects of drying on soil P fractions in clayey soil samples of different cultivation history. To further investigate the contribution of organic matter disruption to the solubility of soil P, the P extracted in each fractionation step was divided into two size classes by filtering the suspension through a 0.2 μm membrane filter. There were no air-drying-induced changes in the total amount of P extracted in each fractionation step. However, air-drying changed the distribution of water-extractable P in size fractions ; increase in the small-sized P took place at the expense of large-sized P. Air-drying increased also small-sized molybdate-unreactive P (MUP) in the NaOH fraction giving evidence that drying-induced alterations take place also in less labile P forms. The results revealed that air-drying alters the extractability and distribution of P in various pools rather than the total amount of extracted P and that a large proportion of H 2 O- and NaOH-extractable large-sized MUP may remain undetected if only filtered samples are analyzed.
Data Analysis with the Vogel−Fulcher−Tammann−Hesse Equation

The Vogel−Fulcher−Tammann−Hesse (VFTH) equation has been the most widespread tool for describing the temperature dependence of the characteristic times of the cooperative dynamics of glass-forming liquids, both in low-molecular-weight and macromolecular systems near and above the glass transition temperature. Previous arguments have shown that statistical correlation could exist between the three parameters. The analysis of a representative experimental data set of poly(vinyl acetate) dielectric relaxation (Richert, R. Physica A 2000, 287, 26) allowed us to conclude that correlation exists mainly between the B and T0 parameters. It was found that the best fitting procedure should use a singular value decomposition implementation of the Levenberg−Marquardt nonlinear fitting algorithm. Simple criteria to diagnose (fitting matrix singular values) and minimize (linear combinations of fitting parameters responsible for instabilities edited to zero) ill-conditioned problems are given. The constant χ2 confidence.
Radicals in the mechanochemical dechlorination of hazardous organochlorine compounds using CaO nanoparticles

For the first time, we detected paramagnetic products generated during the grinding of 3-chlorobiphenyl (BP-Cl) with calcium oxide (CaO) nanoparticles by a ball mill method, which is one of the promising ways to detoxify hazardous chlorinated organic compounds. Those products were assigned to oxygen-centered aromatic radicals coming from BP-Cl and trapped electrons in oxygen vacancies on the surfaces of the CaO reactants using high-frequency and pulsed electron paramagnetic resonance spectroscopies. The observed good correlation between the dechlorination efficiency and the radical yield suggests that a radical mechanism plays an important role in the destruction of organochlorine compounds. The mechanochemical dechlorination could be interpreted by the following mechanism. First of all, the mechanical stressing induces the electron transfer from O2− sites on the surface of the CaO particle to the organic compounds. The produced organic anion radicals then undergo the effective self-dissociation of a chlo.
Response of linseed (Linum usitatissimum L.) to fertilizer nitrogen, phosphorus and sulphur, and their effect on the removal of soil sulphur

Between 1981 and 1987 field experiments were made on loam and sandy loam soils to test the effects of nitrogen, phosphorus and sulphur fertilizers on the yield and quality of linseed, and the uptake of S by the crop. In one experiment, all through the six years, the application of fertilizers up to 60 kg N, 40 kg P2O5 and 30 kg S ha-1 increased yields. In the second experiment, the same combination of N, P and S maximized crop yield, uptake of P and S, % oil and oil production. These balanced and optimum rates of fertilizers decreased the percentage of stearic, oleic and linoleic acids but increased that of linolenic acid by accelerating the metabolic pathway of linolenic acid synthesis. Applying P decreased the removal of native S in the soil but when more S was applied, more native S was taken up. Large dressings of P diminished crop yield and quality as well as the availability of native soil S.
Folding Mechanism of All‐β Globular Proteins

Abstract Elucidating the mechanism for the fast folding of proteins is a challenging task. In our earlier work, we introduced the concept of “long‐range order” and related it successfully to protein folding rates. In this article, we propose a new hypothesis for the folding of two‐state all‐β proteins. The mechanism is based on the formation of a hydrophobic core, propagation of β‐strands, and the establishment of hydrogen bonds. Our hypothesis has been strengthened by the observation of a folding nucleus in β‐strands and the hydrogen‐bonding network between residues in β‐strands. Our insights on protein folding show an excellent agreement with experimental observations.
Preparation of Newly Modified DIOP Bearing Bis(4-dimethylamino-3,5-dimethylphenyl)phosphino Groups and Its Application to Efficient Asymmetric Hydrogenation of Itaconic Acid Derivatives

We prepared a modified DIOP analogue bearing bis(4-dimethylamino-3,5-dimethylphenyl)phosphino groups. Its rhodium complex was found to be a useful catalysts for asymmetric hydrogenation of dimethyl itaconate and itaconic acid derivatives bearing β-aryl groups
Preparation and characterization of platinum-based electrocatalysts on multiwalled carbon nanotubes for proton exchange membrane fuel cells

A higher yield of functionalized carbon nanotubes (CNTs) was obtained by treatment of CNTs in HNO3 or H2SO4−K2Cr2O7. The deposition of platinum nanoparticles and nanoclusters on these functionalized multiwalled carbon nanotubes by electroless plating was facilitated by a two-step sensitization-activation pretreatment. The deposition was sensitive to the aging time of the sensitizing solution and the pH of the plating solution. The resulting electrocatalysts were characterized by transmission electron microscopy, X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry. XPS analysis showed that the Pt/CNT electrocatalysts contained 67.3% of Pt(0) and 32.7% of Pt(IV). Test runs on a single stack polymer electrolyte membrane fuel cell showed that these electrocatalysts are very promising for fuel cell applications.
Membrane Retrofit Option for Paraffin/Olefin Separation—A Technoeconomic Evaluation

The technical and economic feasibility of a hybrid separation process in which gas separation membranes are combined with conventional distillation are assessed for the separation of ethylene from ethane and of butadiene from a C4-mixture. The potentials for increased energy efficiency and debottlenecking were determined in relation to the required membrane performances. The energy saving potential for the separation of ethylene from ethane is rather low owing to the required very high membrane selectivity. Energy savings can be expected when the membrane selectivity for ethylene is >60. However, the possibility to increase the column capacity in an existing plant by using a membrane is very high. This can become economically attractive if the membrane has a selectivity for ethylene of ≥10. In the case of butadiene separation, the energy savings can be as high as 30% depending on membrane selectivity and process configuration. This high value can be reached when the membrane selectivity for butadiene rela.
Removal of bentonite causing turbidity by electro‐coagulation

Abstract The efficiency of electro‐coagulation as a turbidity removal process has been investigated using bentonite as a turbidity source. The influence of certain operational parameters such as current input, contact time, electrolyte concentration, and initial turbidity on the coagulation efficiency were studied. The process was found to achieve excellent turbidity removals. The lowest residual turbidities were 0.5 and 0.75 NTU for the samples with initial turbidities of 112 and 52 NTU, respectively. This was obtained at a current of 0.5 A, a contact time of 5 minutes, and a calculated dissolved iron concentration of 10.8 mg/l. At a constant current of 0.5 A, a reduction in the contact time from 5 to 2 minutes in the case of turbidity level 1 (52 NTU) and from 5 to 1 minute in the case of turbidity level 2 (112 NTU) resulted in better turbidity removals. The optimal operational parameters for turbidity level 1 are a current of 0.5 A, a contact time of 2 minutes and an NaCl concentration of 2 g/l resulti.
5.75-7.14 GHz All Digital Phase Locked Loop MATLAB model with Novel Filter-to-DCO Frequency Decoder.

Integrated circuit design has been growing for years into what is now a multibillion dollar industry. Behind each fabricated circuit are hundreds of test circuits, and most importantly, simulations to prove product efficacy. The work presented in this thesis provides a straightforward method for simulating an All-Digital Phased Locked Loop. Previous research has been conducted using MATLAB's Simulink environment, however it is shown to be considerably slower than MATLAB's script environment. For this reason, an ADPLL MATLAB Model is presented and shown to provide comparable closed loop results with decreased simulation times. Crucial in initial circuit testing and debugging. Through TIE and modulation peak analysis it is shown that the ADPLL MATLAB model handles modulations of the reference, and presents a correct lowpass-filter behavior. On top, it can lock to all output frequencies allowed by the DCO with the exceptions incurred by the DCO decoder.
Studies on Dehydration of Sapota (Achras zapota)

Sapota (Achras zapota) is a tropical fruit found in several parts of India. It is one of the most popular fruits besides mango, custard apple, and several others. Once ripe, it needs to be consumed within a couple of days due to the highly perishable nature of this exquisite fruit variety. The best way to increase the shelf-life is through the process of dehydration of peeled sapota. In the present study, the convective air drying of sapota pulp was carried out and compared with low-temperature drying techniques such as heat pump–assisted drying and freeze drying. The sapota paste was dried in a convective dryer to study the effect of operating parameters such as air temperature and air velocity. In addition, the effect of additives such as oat and wheat fibers and the paste thickness on drying was also studied. The critical analysis of dehydrated sapota was carried out in terms of water activity, sugar content, color, and rehydration ratio. The drying data were analyzed using Page's model and Newton's model on the basis of root mean square error (RMSE), reduced χ square (χ2) and correlation coefficient (R2).
Single-crystal diamond: a potential gem in neutron instrumentation

Calculations have been performed showing that single-crystal diamond has the highest performance of all materials proposed in the past and presently used as neutron monochromators. If large mosaic crystals were available, the presently available flux on most neutron scattering instruments could be increased by factors of between 1.5 and 4. Thanks to recent progress in chemical vapour deposition technology the growth of diamond single-crystal layers with a suitable mosaic spread has become feasible. Provided an adequate research and development effort is made, it is expected that the high potential of this extraordinary material can be exploited in the not too distant future.
A novel approach to consolidation of historical limestone: the calcium alkoxides

Potential utilization of calcium alkoxides as stone consolidants was considered. Reaction of Ca(OCH3)2, Ca(OCH2CH3)2(CH3CH2OH)4 and Ca[OCH(CH3)2]2 with the atmosphere in different experimental conditions was studied. The reaction produced CaCO3 and two different pathways seem to be involved, the first taking place through CO2 insertion into the Ca–O bond of Ca(OR)2 species with formation of an alkylcarbonate derivative, subsequently transformed into CaCO3 through ROH elimination; the second takes place through hydrolysis of Ca(OR)2 to Ca(OH)2, which is then carbonated to CaCO3. The vaterite/calcite ratios found in the final CaCO3 vary considerably with the experimental conditions adopted. Investigations demonstrated the potentiality of Ca(OCH3)2 to act as a stone consolidant. In fact, impregnation of a porous substrate, simulating the deteriorated stone, with a methanol solution of Ca(OCH3)2, produced a crystalline vaterite film, which gradually filled all the pores and cavities of substrate and seems to fulfil the necessary requirements for a consolidant. Copyright © 2008 John Wiley & Sons, Ltd.
Analyses of the Diffraction Efficiencies, Birefringence, and Surface Relief Gratings on Azobenzene-Containing Polymer Films

Dynamical experimental studies on the diffraction efficiencies and the formation of birefringence grating and surface relief grating on doped and/or covalently bonded azobenzene derivatives containing polymer films were carried out using laser beams with different polarizations. From polarization analyses of the first-order (±1) diffracted beams, the contributions to the diffraction efficiency are separated into an anisotropic (or birefringence) part and a surface relief part. During the growth of the gratings the dynamical responses of both contributions appear to be quite distinct, and estimates of the time variations of the anisotropic phase shift, Δφ, due to the induced birefringence and of the surface relief height, 2Δd, due to the polymer mass transport are obtained. Calculations and simulations of the theoretical expressions allow us to confirm the experimental findings and to reproduce all the observed polarized first-order diffraction curves with good agreement, even when the surface relief is im.
Investigation on the Interactions of Gas Explosion Flame and Reflected Pressure Waves in Closed Pipes

In the present research work, the basic concepts of the coupling interaction mechanisms of gas explosion–reflected over pressure and flame were outlined by experiments and theory analysis. During the test processes, high speed cameras were employed for shooting the flame images, and pressure and flame sensors were set along the pipes for the signals detection. The research results show that the reflected reverse pressure wave has a significant influence on the transmission properties of gas explosion flame in the closed pipes. Under the effects of reversed pressure waves, gas explosion flames also present several discontinuous characteristics, such as flame ruptures or extinguishing. Generally, it can be inferred that the main effects of reflected explosion pressure on the flame propagations in the closed pipes are inhibitions. The present research results of these studies are shown to allow for a significant improvement in our ability to address practical problems of coal mine gas explosion mitigations.
Imaging atom‐probe analysis of an aqueous interface

Aqueous solutions of KCl in contact with tungsten and gold surfaces have been examined for the first time by imaging atom‐probe (IAP) mass spectroscopy. The liquid is preserved for IAP analysis by rapidly freezing it on the surface of a field‐emitter tip. The tip and the resulting vitreous layer of ice are cryogenically transferred into vacuum where an electric field of ∼10 V/nm is used to field desorb the ice layer from the tip apex at 80 K. Mass spectra of the resulting ions are dominated by peaks at m/z=18 amu (H2 O+ ) and m/z=40 amu (K+ ). The desorption process is characterized by an abrupt onset of ionization during which the entire layer is removed from the tip apex. Desorption characteristics suggest that a layer of vitreous water ice behaves like an insulating film on the tip surface. Desorption images taken as the ice layer is removed show no ordering of water or salt molecules within the layer on a nanometer scale.
The self and autism : an experimental investigation

The development of the self is primarily dependent on a child's experience of her/himself in relation to others. A cardinal feature of early childhood autism is the child's deficient capacity for, and probably experience of, affectively patterned interpersonal relations. These considerations led to the hypothesis that young people with autism would experience and conceptualise themselves in ways that are qualitatively different from non-autistic people of the same chronological and mental age. This hypothesis was explored by a combination of clinical and experimental methodologies comparing matched autistic and non-autistic subjects; The evaluation of participants' self-descriptions through semi-structured interviews; the assessment of participants' self-depiction through drawings; and the investigation of linguistic self-reference through formal experimental studies of participants' personal pronoun comprehension and use. Broadly speaking, the results were in accord with the predictions derived from the above hypothesis. Young people with autism, although describing themselves with as wide a range of statements as their matched control subjects, were significantly less likely to define themselves in relation to others and significantly less likely to use social reasoning to explicate their statements about themselves. They did use a comparable number of physical, active and p^chological based self-constructs as their matched counterparts. In the drawing tasks, the young people with autism produced drawings and copied geometric figures as competently as their matched controls, but showed significantly less differentiation among their human figure drawings (including those of the self) vis-à-vis non-human figure drawings in terms of their use of features to depict them. In the final set of tasks, designed to explore personal pronoun imderstanding and use, there was no group difference in the participants' comprehension. The autistic group, however, showed a relative propensity to use the pronoun 'T rather than 'me' in certain visuo-spatial tasks, and those of lower ability tended to use proper names instead of 'me' and 'you' for themselves and the experimenter. These findings are discussed within the framework of a theory of the development of self-reflective awareness in normal and autistic children, with special reference to lack of engagement with other people by young people with autism.
Growth of WS2 Nanotubes Phases

Recently, a method to produce bulk quantities of pure multiwall WS2 nanotubes, which could reach several microns in length, has been developed. A detailed study of the growth mechanism of these WS2 nanotubes has been undertaken, which is reported hereby. A series of experiments were conducted to define the key parameters, which determine the shape of the WS2 nanotubes. An alternative approach for the synthesis of WS2 nanotubes, starting from long WO3-x nanowhiskers, which can be extended for the synthesis of other nanotubes, is described as well.
Calorimetric Study of the Glassy State. IV. Heat Capacities of Glassy Water and Cubic Ice

By making use of the vapor-condensation type calorimeter, the heat capacity measurements of amorphous, cubic and hexagonal ices were made between 20°K and 250°K. The glass transition phenomenon was found near 135°K with the sudden change of the heat capacity amounting to 35 J/(mol°K). The drastic crystallization with the exothermic effect which amounts to 1.64 kJ/mol was then followed at this temperature. The transformation of the cubic crystal to the hexagonal one was confirmed to occur in the temperature region from 160 to 210°K and to proceed in two steps with the activation energies of 21.3 and 44.7 kJ/mol, respectively. The amount of the exothermic effect accompanying this transformation was found to be about 160 J/mol.
Hydrogen Bonding-Induced Transformation of Network Aggregates into Vesicles - A Potential Method for the Preparation of Composite Vesicles

While network-like assemblies are formed by amphiphilic polyphosphazenes with poly(N-isopropylacrylamide) and ethyl tryptophan as side groups in aqueous solution, a significant morphology transformation is observed when small molecules that exhibit hydrogen-bonding interactions with amphiphilic copolymers are introduced during the preparation of polymeric assemblies through a dialysis procedure. Depending on copolymer composition and the content of small molecules introduced, aggregates ranging from general vesicles, high-genus vesicles, to well-defined nanospheres can be prepared successfully as clearly evidenced by TEM observation, which suggests this procedure should be a novel approach to prepare composite vesicles.
Calculation of the nonlinear optical properties of molecules

A finite‐field method for the calculation of polarizabilities and hyperpolarizabilities is developed based on both an energy expansion and a dipole moment expansion. This procedure is implemented in the MOPAC semiempirical program. Values and components of the dipole moment (μ), polarizability (α), first hyperpolarizability (β), and second hyperpolarizability (γ) are calculated as an extension of the usual MOPAC run. Applications to benzene and substituted benzenes are shown as test cases utilizing both MNDO and AM1 Hamiltonians.