Miracle-dz/UniFAR-FTUs huggingface dataset:
Specific and exchange adsorption of mercury (II) on Ca-saturated kaolinitic soils in Central Nigeria

We studied the adsorption of Hg (II) in typical tropical soils in Central Nigeria. Results suggest that more Hg (II) is adsorbed specifically than by the reversible, cation exchange process, with the adsorption isotherms predominantly Langmuirian in form. Considering the acid, low organic matter content and kaolinitic clay nature of the soils, the specific adsorption is traceable to outer-sphere and inner-sphere complexes of Hg (II) involving silanol (≡SiOH) and aluminol (≡AlOH) sites on the clay mineral surfaces, and complexation with the organic matter. Thus, inputs of Hg (II) in these soils could lead to its accumulation to definite toxic levels.
Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane

A conformational study of diethyldichlorosilane and the elucidation of the gas-phase molecular structures of its four conformers have been performed using the combined approach of gas-phase electron diffraction and computational techniques. Moreover, the Raman spectrum of the liquid and the IR spectra of the gas and liquid phases have been recorded and thoroughly analyzed on the basis of the scaled quantum-mechanical force field methodology. The results of the vibrational assignment have given spectroscopic evidence of the presence of the different conformers in the samples. Copyright c � 2009 John Wiley & Sons, Ltd.
IDENTIFICATION OF PHYTO - COMPONENTS AND ITS BIOLOG ICAL ACTIVITIES OF ALOE VERA THROUGH THE G AS C HROMATOGRAPHY - M ASS S PECTROMETRY

In this study, the bioactive components of Aloe vera leaves have been evaluated using GC/MS. The chemical compositions of the n - hexane extract of Aloe vera were investigated using Perkin - Elmer Gas Chromatography – Mass Spectrometry, while the mass spectra of th e compounds found in the extract was matched with the National Institute of Standards and Technology (NIST) library. GC/MS anal ysis of n hexane extract of Alo e vera revealed the existence of twenty six bioactive compounds. The results of this study offer a p latform of using Aloe vera as herbal drug for cancer studies .
Strain effects on the spectra of spontaneously ordered GaxIn1−xP

Spontaneous (111) CuPt‐like ordering has been widely observed in GaxIn1−xP lattice matched (x=x0) to a GaAs(001) substrate. This leads to a band‐gap reduction ΔEg and to a valence‐band splitting ΔE12. We explore here the consequence of the coexistence of (001) epitaxial strain (produced by selecting x≠x0) and (111) chemical ordering. This leads to distinct changes in ΔEg and ΔE12 which could serve as new fingerprints of ordering.
Electrochemical behavior of a pheochromocytoma cell suspension and the effect of acrylamide on the voltammetric response

The electrochemical behavior of electroactive species in a pheochromocytoma cell (PC-12) suspension was studied to establish a simple and rapid measurement method to obtain strong and direct electrochemical responses that objectively reflect cell viability. Two electrochemical signals of the PC-12 suspension, caused by the oxidation of guanine, xanthine, adenine and hypoxanthine, were simultaneously detected by using a glass carbon electrode modified with a multi-walled carbon nanotube–graphene nanosheet hybrid film. The presence of the four purines in the PC-12 cell cytoplasm was verified by HPLC assay using a DAD system and LC-MS analysis. Additionally, a linear relationship between the peak currents of purines in the cell suspension and culture time was found, which is in accord with the cell counts. The cytotoxic effect of acrylamide (0.1 mM to 10 mM) on cells was evaluated by differential pulse voltammetry (DPV) analysis, which detected a decrease in the voltammetric response of purines in the cytoplasm, in agreement with that obtained by the MTT test and with morphological analysis. Therefore, the voltammetric response of the ultrasonicated PC-12 cell suspension could be used to monitor cell growth and to evaluate the effects of potential toxic hazards on cells, and in drug screening.
Synthesis and Characterisation of Carbide Derived Carbons

Carbide derived carbons (CDCs) have been synthesized from VC, WC, TaC, NbC, HfC and ZrC at T = 1000 °C, and from TiC at T = 700–1200 °C via a chlorination reaction. The CDCs have been studied by means of high resolution transmission electron microscopy and electron energy-loss spectroscopy (EELS). These studies show that the structures of CDCs are strongly dependent upon the nature of the starting carbide and the synthesis temperature. The structures range from very disordered nanoporous carbon, consisting of randomly curved graphene layers, to compact spherical entities of compactly packed graphitic layers. EELS studies of carbon core-loss spectra show that the relative sp2 content in these carbons varies between 83% and 98%. The low-loss part of the EEL spectra shows that the positions of the π-plasmons and the bulk plasmons are more dependent on the carbide precursor, than the synthesis temperature. The densities of the CDC particles have been estimated using the bulk plasmon positions as well as the sp3 content determined from the C-K edge spectra. The densities calculated from sp3 are close to the pycnometric ones, while the densities calculated from bulk plasmon positions are lower and reflects the nanostructure of CDCs.
Pure Sulfide Cu2ZnSnS4 Thin Film Solar Cells Fabricated by Preheating an Electrodeposited Metallic Stack

Cu 2 ZnSnS 4 (CZTS) thin fi lm solar cells have attracted considerable interest as renewable energy devices and have shown potential as an alternative technology due to the use of earthabundant and environmentally friendly elements. [ 1,2 ] CZTS is a p-type semiconductor with a direct band gap of about 1.5 eV and a high optical absorption effi cient. [ 3–5 ] Thus, promising sunlight conversion effi ciency ( η ) of more than 15% can be expected in the near future, indicating that a CZTS solar cells have potential for industrial production. CZTS absorbers have been fabricated using various processes. [ 6–29 ] The processes can be roughly divided into two groups: vacuum and non-vacuum processes. Evaporation and sputtering are currently used for the preparation of high-effi ciency CZTS solar cells in vacuum processes. In 2008, Katagiri et al. reported η of 6.77% using a CZTS thin fi lm fabricated by sputtering metallic precursors followed by annealing in H 2 S. [ 21 ]
Evaluation of Chlorophyll Content, Antioxidant Activity and Phenolic Compounds in the Seedlings of Rice-type Tartary Buckwheat

Rice type tartary buckwheat is used as a substitute for rice in many Asian countries due to its easy dehulling character. The objective of the present study was to determine the chlorophyll, total polyphenol (TP), total flavonoid (TF), antioxidant activity and to quantify the bioactive compounds rutin, quercetin and chlorogenic acid in the seedlings of rice-type tartary buckwheat (RTTB). Young seedlings exhibited higher antioxidant (DPPH radical inhibition) activity in dose dependent manner. TP and TF content were highest (3017.46 ± 201.84 ㎍ TAE /100 ㎎ dw and 1916.0 ± 102.95 ㎍ QE / 100 ㎎ dw respectively) in 3 days after germination (DAG) seedlings compare to 6 and 9 DAG. The contents of rutin and quercetin increased with growing stage of seedlings. However, the chlorogenic acid decreased with increasing growth. Overall, RTTB seedlings can be regarded as a strong source of phenolics and have high possibility for food and nutraceutical application due to their efficient antioxidant properties, higher chlorophyll and phytochemical content.
Dynamical Behavior of Anion−Water and Water−Water Hydrogen Bonds in Aqueous Electrolyte Solutions: A Molecular Dynamics Study

The dynamics of breaking and structural relaxation of Cl-−water, Br-−water and water−water hydrogen bonds in aqueous alkali halide solutions are investigated by means of molecular dynamics simulations. The hydrogen bonds are defined by using a set of configurational criteria with respect to the anion(oxygen)−oxygen and anion(oxygen)−hydrogen distances and the anion(oxygen)−oxygen−hydrogen angle for an anion(water)−water pair. The results of the hydrogen bond dynamics are obtained for a smaller cutoff and also for a larger cutoff for the angular criterion. In both cases, the dynamics of anion−water hydrogen bonds are found to be slower than that of water−water hydrogen bonds. However, the extent of slowing down is not as great as observed in recent experiments. The relaxation of anion−water hydrogen bonds is found to slow with an increase of ion concentration which is in agreement with the trend observed in experiments. The diffusion coefficients and the orientational relaxation times of water molecules in.
ANTIMICROBIAL AND PHYTOCHEMICAL ANAL YSIS OF CASSIA TORA LEAF EXTRACTS

Cassia tora L. (Leguminosae), used as a leafy vegetable in various parts of India, believed to have medicinal properties. Antimicrobial assay of hexane, chloroform and methanol extracts as well as ethyl acetate fraction of methanolic extract was performed against five bacterial strains and four fungal strains by disc diffusion method. The results obtained were compared with that of standard antibiotic discs. Extracts showed activity were quantitatively analyzed for their potential with the respective bacteria, by measuring MIC and MBC values. Among the extracts, ethyl acetate fraction was found to be more active while, the hexane and methanol extracts showed moderate activity. Proteus valgarius was found to be the resistant strain towards all the extracts tested. The respective minimum inhibitory concentration and bacteriocidal concentration of the extracts were found to be varied between 6.5 - 25mg/ml and 12.5-100mg/ml. The phytochemical analysis of the extracts showed the presence of flavonoids, tannins , anthr aquinons and terpenoids, which can be the active principle. Activity of the extracts towards E. coli confirms the traditional belief of curative property of C. tora for stomach related aliments. Key w ords: Cassia tora, antimicrobial activity, ph ytochemicals, MIC and MBC
Adsorption of Cobalt(II) Ions from Aqueous Solution onto Activated Carbon Prepared from Hazelnut Shells

Activated carbon prepared from hazelnut shells was used to remove Co(II) from aqueous solution by adsorption. Batch-mode adsorption experiments were carried out varying parameters such as the initial metal ion concentration (13.30–45.55 mg/l), agitation speed (50–200 rpm), pH (2–8), temperature (293–323 K) and particle size (0.80–1.60 mm). The kinetics of the adsorption of Co(II) followed the pseudo-second-order equation, being pH-dependent since the removal rate increased with the pH value of the aqueous solution. The adsorption equilibrium data obeyed the Langmuir isotherm. The adsorption capacity (Q0) calculated from the Langmuir isotherm was 13.88 mg Co(II)/g carbon at 303 K employing a pH value of 6 and a particle size of 1.00–1.20 mm. The thermodynamic parameters evaluated for the carbon revealed that the adsorption of Co(II) was endothermic in nature.
Degradation of 2-hydroxybenzoic acid by advanced oxidation processes

In this study, advanced oxidation processes (AOPs) such as the UV/H2O2 and Fenton processes were investigated for the degradation of 2-hydroxybenzoic acid (2-HBA) in lab-scale experiments. Different [H2O2]/[2-HBA] molar ratios and pH values were used in order to establish the most favorable experimental conditions for the Fenton process. For comparison purposes, degradation of 2-HBA was carried out by the UV/H2O2 process under Fenton experimental conditions. The study showed that the Fenton process (a mixture of hydrogen peroxide and Fe2+ ion) was the most effective under acidic conditions, leading to the highest rate of 2-hydroxybenzoic acid degradation in a very short time interval. This same process led to a six-fold acceleration of the oxidation rate compared with the UV/H2O2 process. The degradation of 2-hydroxybenzoic acid was found to follow first-order kinetics and to be influenced by the type of process and the experimental conditions. The experimental results showed that the most favorable conditions for 2-HBA degradation by the Fenton process are pH around 4-5, [Fe2+] = 0.6 mmol.L-1, and [H2O2]/[2-HBA] molar ratio = 7. The hydroxylation route is explained here for the two processes, and the results are discussed in the light of literature information.
Characteristics of the Surface‐State Charge (Qss) of Thermally Oxidized Silicon

The nature of the surface-state charge (Qss) associated with thermally oxidized silicon has been studied experimentally using MOS structures. The effects of oxidation conditions, silicon orientation, annealing treatments, oxide thickness, and electric field were examined, as well as the physical location of the surface-state charge. The results indicate that the surface-state charge can be reproducibly controlled over a range 1010-1012 cm -2, and that it is an intrinsic property of the silicon dioxide-silicon system. It appears to be due to an excess silicon species introduced into the oxide layer near the silicon during the oxidation process.
Strain induced phase transitions in silicene bilayers: a first principles and tight-binding study

Using first principles and tight-binding calculations, we have investigated the structures of silicene bilayers under the isotropic tensile strain. We find that (i) the strain induce several barrierless phase transitions. (ii) After the phase transitions, the bilayer structures become planar, similar with the AA-stacking graphene bilayers, but combined with the strong covalent interlayer bonds. The tight-binding results demonstrate that this silicene bilayer is characterized by intralayer sp2 hybridization and the interlayer sp1 hybridization. (iii) The electronic properties of the silicene bilayers change from semiconducting to metallic with the increase of strain.
Highly cytotoxic diruthenium trithiolato complexes of the type [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+: synthesis, characterization, molecular structure and in vitro anticancer activity

A new series of cationic dinuclear p-cymene ruthenium complexes bridged by three thiophenolato ligands containing various substituents mainly in meta and ortho positions, [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+ (R = 3-C6H4Me: 1; R = 3-C6H4OMe: 2; R = 3-C6H4OEt: 3; R = 3-C6H4CF3: 4; R = 3-C6H4NH2: 5; R = 3-C6H4Cl: 6; R = 2-C6H4Me: 7; R = 2-C6H4OMe: 8; R = 2-C6H4Pri: 9; R = 2-C6H4CF3: 10; R = npt: 11 (npt = 2-naphthyl); R = mco: 12 (mco = 4-methylcoumarinyl); R = 3,5-C6H3Me2: 13; R = 3,5-C6H3(CF3)2: 14; R = 3,5-C6H3Cl2: 15; R = 3,4-C6H3(OMe)2: 16), have been prepared from the reaction of the neutral p-cymene diruthenium dichloride dimer, [(η6-p-MeC6H4Pri)2Ru2Cl4], with the corresponding thiophenol RSH. All cationic complexes have been isolated as their chloride salts and fully characterized by spectroscopic and analytical methods. The molecular structures of 10 and 15 have been solved by a single-crystal X-ray structure analysis of [10]Cl and [15]Cl, which show that the two ruthenium atoms adopt a pseudo-octahedral geometry without a metal–metal bond in accordance with the noble gas rule. All complexes are highly cytotoxic towards human ovarian cancer cells, the IC50 values being mostly in the nanomolar range. Complex 9 shows the highest cytotoxicity with an IC50 value of 0.03 μM towards the A2780 cell line and the cisplatin-resistant mutant A2780cisR. The cytotoxicity of these complexes, which belong to the most active ruthenium anticancer compounds reported so far, can be correlated with the lipophilicity of the corresponding thiols. In comparison with the previous series, the results demonstrate that the positions of the substituents in the thiopenolato bridges are not as important as the nature of the substituents, alkyl substituents being the best ones in line with their lipophilic character.
Organic components in leachates from hazardous waste disposal sites

Organic compounds and inorganic elements were determined in leachates from 11 landfill sites in Japan. With regard to the inorganic elements, the concentration of boron was found to be fairly high. More than 100 organic compounds were detected and several important compounds such as organic phosphates, 1,4-dioxane, phthalates, and bisphenol A were present at high concentrations. Waste plastics are a possible origin for these compounds. The ratio of characterized compounds to total organic carbon was unexpectedly low. Phenols and ethers were the main components as deduced from the carbon contents. Most of the chlorine appears to be present as non-volatile substances.
A Novel Fusion Between MOZand the Nuclear Receptor Coactivator TIF2in Acute Myeloid Leukemia

Abstract Chromosomal abnormalities of band 8p11 are associated with a distinct subtype of acute myeloid leukemia with French-American-British M4/5 morphology and prominent erythrophagocytosis by the blast cells. This subtype is usually associated with the t(8;16)(p11;p13), a translocation that has recently been shown to result in a fusion between the MOZand CBPgenes. We have cloned the inv(8)(p11q13), an abnormality associated with the same leukemia phenotype, and found a novel fusion between MOZand the nuclear receptor transcriptional coactivatorTIF2/GRIP-1/NCoA-2.This gene has not previously been implicated in the pathogenesis of leukemia or other malignancies. MOZ-TIF2 retains the histone acetyltransferase homology domains of both proteins and also the CBP binding domain of TIF2. We speculate that the apparently identical leukemia cell phenotype observed in cases with the t(8;16) and the inv(8) arises by recruitment of CBP by MOZ-TIF2, resulting in modulation of the transcriptional activity of target genes by a mechanism involving abnormal histone acetylation.
Periodically driven atomic systems

This thesis is concerned with a variety of topics grouped together under the general theme of periodically driven atomic systems . Periodic driving is ubiquitous in most techniques used in atomic physics, be it laser cooling, ion trapping or AC magnetic fields. An in-depth understanding of the behaviour of such systems can be provided through Floquet theory which will develop as a central theme in the following chapters. The thesis is divided in two parts: neutral atoms, and ions and biomolecules. In the first part I discuss a new 41 K- 87 Rb mixture experiment, built during the first year of my DPhil. This species combination has some very broad and low-loss interspecies Feshbach resonances that are instrumental for carrying out the experiments discussed in the first chapter. Unfortunately, the mixture experiment had to be put aside and our attention was shifted to Time-Averaged Adiabatic Potentials (TAAPs) and how these can be extended using multiple Radio-Frequency (RF) fields. This technique opens up the way for precise interferometric measurements. Lastly, the peculiar behaviour of Modulation Transfer Spectroscopy (MTS) of 39 K is investigated and a linearising transformation for four-wave mixing processes is presented. In the second part we turn our attention to charged ions and biomolecules and the techniques of ion trapping. We propose a novel technique for co-trapping charged particles with vastly different mass-to-charge ratios and thoroughly explore its consequences. The behaviour of the trap and the stability of equations with periodic coefficients in general is studied using Floquet theory. The normal modes and symmetries of the system also need to be considered in relation to the effectiveness of the sympathetic cooling of the ions. Small systems were simulated using a Molecular Dynamics (MD) approach in order to capture the effect of micromotion and other heating processes.
Effect of Polymers on the Rheological Properties of KCl/Polymer Type Drilling Fluids

In the course of this research, the effect of two polymers (xanthan gum and polyanionic cellulose) on the rheological properties of KCl/polymer type drilling fluids was investigated. Non-Newtonian drilling fluids are conventionally characterized by rheological models (Bingham Plastic, Power Law, Casson, Herchel-Bulkley and Robertson-Stiff). In this research, forty-five KCl/polymer data sets of varying compositions are prepared. Polymer addition to the system has affected the model and caused a variation of Power Law Model parameters, consistency index and flow behavior index. Consistency index was observed to increase as the polymer concentration increased, supplying more shear stress values. Decrease of flow behavior index due to polymer addition is interpreted as deviating from Newtonian behavior. Gelation for both 10 s and 10 min has increased by polymer addition to the system.
New Fields of Application for Sol-gel Processes: Cold and Vacuum-free ‘Compacting’ of Pharmaceutical Materials to Tablets

Abstract As new field of application for sol-gel processes the cold and vacuum-free ‘compression’ of pharmaceutical tablets is proposed. Suspensions consisting of an active ingredient, a silica sol and an additive are consolidated by freezing and subsequent drying. Depending on the suspensions composition parameters like porosity and pore size, dissolution behaviour and crushing forces were investigated. Dendrite pore structures were formed as negative images of the former ice crystals in the tablet bodies. An increase of the binder ascorbic acid results in a decreasing porosity, a slower dissolution velocity but an increasing crushing force.
Effectiveness of Brief Cognitive Behavioral Therapy in Reducing Psychological Distress in a Client With Social Anxiety Disorder: A Single-Case Study

Social anxiety disorder (SAD) is one of the most common psychological disorders that can happen at some point in one’s life. It is characterized by intense distress that occurs before, during, and after engaging in social situations. SAD can negatively affect an individual’s functioning in many aspects of life. Therefore, SAD is often associated with severe psychological distress. This research aimed to evaluate the effectiveness of brief cognitive behavioral therapy (CBT) combined with counseling techniques in reducing psychological distress in a client with SAD. CBT targeted the maladaptive thoughts, which were considered as the leading cause of SAD. The changes brought by the psychological distress symptoms were quantified using a pre-post design with a single-case study (n = 1). The participant was a 19-year-old first-year female student who had been avoiding many social situations for the last 8 months. She came to the counseling center with complaints of distress and intense anxiety when facing social situations. HSCL-25 measurements reduced from 2.56 to 1.72, indicating that her psychological distress, which included anxiety and depression symptoms, was significantly decreased. The GHQ-12 measures also decreased, showing that psychological distress and adjustment disorder symptoms had diminished. In the last session, the participant also managed to develop a more adaptive way of thinking. Therefore, CBT combined with counseling techniques can effectively reduce psychological distress symptoms on a client with SAD.