Miracle-dz/UniFAR-FTUs huggingface dataset:
Preliminary study on heavy metals contamination of soil using solid phase speciation and the influence on groundwater in Bozanta–Baia Mare Area, Romania

Abstract A preliminary study on soil contamination with heavy metals and As based on solid phase speciation according to the Tessier scheme and the influence on groundwater in an area under anthropogenic influence (Bozanta-Baia Mare, Romania) was conducted. The partitioning of Al, As, Cd, Cu, Fe, Mn, Pb and Zn in five fractions is discussed in relation to soil characteristics, pH, organic matter content, mineralogical composition and distribution of the same elements in airborne particulate matter. The airborne particulate matter contains high quantities of As, Cd, Cu, Pb and Zn as exchangeable fraction. The sequential extraction carried out on soil samples revealed the main role of Fe-Mn oxides surface in the immobilization of metals. Organic matter has a specific role in complexation of Cu, Pb, As and Al, since high contents of these metals were recovered in the oxidizable fraction. Cadmium has a high selectivity for carbonate minerals. The amendment of soil with natural fertilizer increases the exchangeable fraction of metals with the highest toxicity. The available fraction for plants (exchangeable + carbonate-bound species) exceeded the alert values in soil, therefore the continuous monitoring of the area is necessary. The soil is unsuitable for agricultural use due to high contamination on surface with toxic elements resulted from anthropogenic activities. Groundwater is contaminated with very toxic elements (As, Cd and Pb) but also with Cu, Mn and Zn and is unsuitable as supply for drinking water.
“Awww, we r sorry wai”: Pragmatic functions of L1 discourse markers in Ghanaians’ English-based WhatsApp conversations

The use of discourse markers (DMs) in written conversations has long been seen as features of oral conversations that chatters transfer into their written conversations when they wish to activate the informal relationships they developed in oral conversational contexts (see e.g. Landone 2012 and Ramón 2015). This paper shows this conclusion to be true of the use of seven DMs (o, wai, saa, paa, waa, koraa and la) by Ghanaians in their in-group English-based WhatsApp conversations. The DMs are from some Ghanaian languages, and using the Markedness Model of Myers-Scotton (1993, 1998, 1999) it is shown that they occur as marked codeswitches in the otherwise English texts where, in addition to informalising interactions, serve as exhibits of chatters’ Ghanaian identity and in-group solidarity; it is unlikely that such forms as wai, saa, paa, waa, koraa and la will appear in chats of non-Ghanaians. Data analysed for the study were extracts from WhatsApp platforms with only Ghanaian participants.
Synthetic Approaches to Functionalized Lipids for Protein Monolayer Crystallizations

The use of lipid monolayers to bind and adsorb proteins is an attractive and increasingly important method for generating high localized concentrations of oriented proteins and protein complexes. These bound proteins can be imaged directly, or they may form 2-D crystalline arrays that are amenable to structure determination by single particle analysis or 2-D electron crystallography. 2-D crystals grown by this technique can also be used to initiate the growth of 3-D crystals for X-ray diffraction analysis. Many derivatized lipids have been prepared for use with this technique, incorporating a diverse range of ligands to enable binding to specific proteins. Synthetic lipids containing functionalized head groups that chelate Ni2+ or Cu2+ have also been prepared to bind and orient expressed proteins that contain His-tags. Protein-binding monolayer-forming lipids generally consist of two distinct components: (1) a branched hydrocarbon tail to confer fluidity to the monolayer and (2) a functionalized hydrophilic head group to facilitate binding of protein molecules at the air-water interface. Newer examples of these compounds also incorporate perfluorinated hydrocarbon moieties to confer detergent resistance to these lipids. This review focuses on synthetic approaches to functionalized lipids for protein monolayer crystallizations.
EFEK MENGUNYAH PERMEN KARET YANG MENGANDUNG SUKROSA, XYLITOL, PROBIOTIK TERHADAP KARAKTERISTIK SALIVA

Abstract Chewing gum can stimulate saliva secretion and increase saliva component. Chewing gum contains of different substances such as sucrose, xylitol and probiotic. The purpose of this study was to analyze the flow rate, volume, vis-cosity, pH and the number of Streptococcus mutans colonies before and after chewing gum containing sucrosa, xylitol and probiotic. The research was a quasi-experimental research using a random sampling method. Sample was 30 pre-clinical students of the Faculty of Dentistry, Padjadjaran University. To analyze the difference of characteristic of saliva used Student t test and one way Anova. The results showed that after chewing gum there were significants increasing of saliva volume, saliva flow rate and saliva pH, and significant decreasing of saliva viscosity and the total Streptococcus mutans colony. The difference of the increasing saliva volume, flow rate, pH and decreasing of total Streptococcus mutans colony and viscositas saliva Statistically there were no differences (p>0,005). In conclusion, chewing gum can increase the saliva volume, flow rate, and decrease the saliva viscosity and the total Streptococcus mutans colony. Key words: sucrose, xylitol, probiotic. saliva, Streptococcus mutans colony
Determination of single‐crystal elasticity constants in a cubic phase within a multiphase alloy: X‐ray diffraction measurements and inverse‐scale transition modelling

The scope of this work is the determination of single-crystal elastic properties from X-ray diffraction stress analysis performed on multiphase polycrystals. An explicit three-scale multiphase inverse self-consistent model is developed in order to express the single-crystal elasticity constants of a cubic phase as a function of its X-ray elasticity constants. The model is verified in the case of single-phase materials. Finally, it is applied to a two-phase (α+β) titanium-based alloy (Ti-17) and, as a result, the Ti-17 β-phase single-crystal elasticity tensor is estimated.
Green tea induced gold nanostar synthesis mediated by Ag(I) ions

We report a synthesis of tea components conjugated gold nanostars (AuNSs) with strong near infrared absorption by reducing an aqueous solution of chloroauric acid trihydrate via green tea in association with Ag(I) ions. Green tea acts as a reducing agent by providing electrons for the gold (III) reduction as well as a stabilizing agent by conjugating some of its components on the surfaces of AuNSs. Moreover, the Ag(I) ions play an important role in mediating the branched growth of the resultant AuNSs by inducing anisotropic growth on the surfaces of initially formed spherical gold nanoparticles.
The Application of a Simple and Inexpensive Modified Carbon Wire Adsorption/Solvent Extraction Technique to the Analysis of Accelerants and Volatile Organic Compounds in Arson Debris

A simple, inexpensive carbon wire adsorption/solvent extraction (CWSE) technique that allows for sensitive and reproducible analysis of organic volatiles from arson debris is described. The technique requires a minimum of expensive equipment and is particularly suited to those laboratories without a thermal desorption unit or pyrolyzer. The technique combines static headspace sampling with solvent extraction and analysis by capillary column gas chromatography.
Energetics of Photoinduced Electron-Transfer Reactions Decided by Quantum Confinement

The photophysics of linear CdSe−CdTe nanorod heterostructures are reported. Charge-transfer emission and absorption bands are identified. Analysis of these bands reveals the factors governing photoinduced electron transfer from CdTe to CdSe, and it is thereby shown how quantum confinement effects decide the thermodynamic parameters of the Marcus−Hush theory. An important finding is the very small reorganization energy associated with the nuclear degrees of freedom (∼20 meV in toluene), which seems to be a characteristic of these nanoscale donor−acceptor systems and differentiates them from most analogous molecular systems. Therefore Marcus “inverted region” behavior is found to be typical for these systems. By analyzing the mixing between the CdTe exciton and the charge-transfer states for one sample, we find the electronic coupling matrix element that promotes the charge separation to be ∼50 meV.
EXTRACTION ET ETUDE DES HUILES ESSENTIELLES DE Rosmarinus Officinalis cueillie DANS TROIS REGIONS DIFFERENTES DE LA TUNISIE

L'huile essentielle obtenue par hydrodistillation de la partie aerienne de Rosmarinus Officinalis cueillie dans trois regions geographiquement differentes en Tunisie ont ete analyse par GC/MS. Les huiles de la phase organique et celles de la phase aqueuse, extraites des trois matieres vegetales etudiees, presentent des compositions chimiques et caracteristiques physico-chimiques differentes. Plus de 90% des composants sont detectes. L'etude de l'activite antibacterienne de ces huiles essentielles sur des (.)
Metastable Liquids: Concepts and Principles

Preface and Acknowledgments1Introduction: Metastable Liquids in Nature and Technology12Thermodynamics633Kinetics1474Supercooled Liquids2355Outlook363App. 1Stability of Fluids: Thermodynamic and Mathematical Proofs367App. 2Thermodynamics of Fluid Interfaces377App. 3Definitions of Microscopic and Statistical Quantities389Index397
Magnetism and electronic structure at hybrid manganese-phthalocyanine/metal interfaces

Nous avons etudie le mecanisme d'adsorption de la molecule MnPc sur le Co(001) ou le Cu (001) et les interactions d’interface qui en decoulent. Nos calculs GGA montrent que la molecule MnPc est chimisorbee sur Co et conduit a de fortes interactions magnetiques a l’interface, notamment au couplage magnetique entre la molecule MnPc et le substrat de Co, et a une polarisation magnetique induite au niveau de Fermi sur les sites N et C. En raison de la chimisorption de MnPc sur Co, l'introduction des interactions faibles de vdW n'apporte aucun changement significatif a la structure electronique d’interface. Toutefois, le calcul GGA montre que la molecule MnPc sur Cu est physisorbee en raison des interactions chimiques tres faibles. Nos calculs montrent qu’a l'oppose de MnPc sur Co, les interactions vdW modifient fortement la structure electronique d’interface de MnPc/ Cu. Cela conduit a un changement significatif du mecanisme d'adsorption de MnPc sur Cu (de la physisorption a une faible chimisorption). Du point de vue de la spintronique, la polarisation de spin sur MnPc, induite et modulee par des substrats ferromagnetiques souligne la pertinence des interfaces hybrides MPc/metalferromagnetique pour l'injection de spin et le transport de spins.
Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements

The room-temperature electron-density distribution in natural anhydrite, CaSO4, has been studied by both X-ray and neutron diffraction. Conventional refinements of the data sets yielded RXw -0.020 and RNw = 0.025. The X-ray intensities were also used for high-order refinements, a refinement based on a point-charge model for the representation of positive residual charge accumulations, and a multipole expansion refinement. All these refinements were performed to study and to reduce parameter bias arising from bonding effects. The multipole expansion model yielded the significantly improved R w = 0.0116. The resulting (X--X) and (X-N) dynamic deformation density maps showed features qualitatively in agreement. Special attention was given to the charge distribution within and around the [SO4] 2anion. The observed bond density distribution is different from earlier results obtained from comparable sulfate derivatives and from the [8206 ]2anion, indicating a considerable 3d population of the S atom.
Evaluating oxygen fluxes using microprofiles from both sides of the sediment‐water interface

Sediment‐water fluxes are influenced by both hydrodynamics and sediment biogeochemical processes. However, fluxes at the sediment‐water interface (SWI) are almost always analyzed from either a water‐ or sediment‐side perspective. This study expands on previous work by comparing water‐side (hydrodynamics and resulting diffusive boundary layer thickness, δDBL) and sediment‐side (oxygen consumption and resulting sediment oxic zone) approaches for evaluating diffusive sediment oxygen uptake rate (JO2) and δDBL from microprofiles. Dissolved oxygen microprofile and current velocity data were analyzed using five common methods to estimate JO2 and δDBL and to assess the robustness of the approaches. Comparable values for JO2 and δDBL were obtained (agreement within 20%), and turbulence‐induced variations in these parameters were uniformly characterized with the five methods. JO2 estimates based on water‐side data were consistently higher (+1.8 mmol m−2 d−1 or 25% on average) and δDBL estimates correspondingly lower (−0.4 mm or 35% on average) than those obtained using sediment‐side data. This deviation may be attributed to definition of the sediment‐water interface location, artifacts of the methods themselves, assumptions made on sediment properties, and/or variability in sediment oxygen‐uptake processes. Our work emphasizes that sediment‐side microprofile data may more accurately describe oxygen uptake at a particular location, whereas water‐side data are representative of oxygen uptake over a broader sediment area. Regardless, our overall results show clearly that estimates of JO2 and δDBL are not strongly dependent on the method chosen for analysis.
The Survey of Physical Education Teachers’ Viewpoints on Causes and Prevalence of Sport Injuries at Schools

The purpose of this study was to survey physical education teachers’ viewpoints on sport injuries at schools. Viewpoints of 83 physical education teachers (mean age: 35.32±2.58 years, mean work experience: 12±6.42 years) who were directly working with students at schools were collected by a researcher-made questioner and interview. Data were analyzed by descriptive statistics. The results showed that most physical education teachers (38.6%) believed that contusion was the most prevalent injury at schools. Also, most physical education teachers (67.5%) believed that most injuries happened in lower limbs at schools. 40.9% believed that the most important external factor of injuries was non-standard playground and 37.4% believed that the most important internal factor of injuries was a lack of body fitness. 72.2% of teachers believed that the most important factor of injuries was traumatic mechanism at schools.
Strong Enhancement of Thermal Properties of Copper Films after Chemical Vapor Deposition of Graphene

We demonstrated that chemical vapor deposition of graphene on Cu films strongly enhances their thermal diffusivity and thermal conductivity. Deposition of graphene increases the thermal conductivity of 9-m (25-m) thick Cu films by up to 24% (16%) near room temperature. Interestingly, the observed improvement of thermal properties of graphene coated Cu films is primarily due to changes in Cu morphology during graphene deposition and associated with it temperature treatment rather than graphene’s action as an additional heat conducting channel. Enhancement of thermal properties of metal films via graphene coating may lead to applications in electronic circuits and metallurgy.
Syntheses and characterizations of polymeric silver iodoplumbates, and iodoplumbates with lanthanide complexes

Novel heterometallic Ag–iodoplumbates [Ln(DMSO)8]Pb2Ag2I9 [Ln = La(1), Gd(2), Tm(3)] were prepared by reactions of LnCl3, PbI2, AgNO3 and KI in dimethyl sulfoxide (DMSO). The same reactions without reactant AgNO3 produced new iodoplumbates [Ln(DMSO)8][(DMSO)Pb4I11] [Ln = La(4), Pr(5), Nd(6)]. All Ln3+ ions are solvated with eight DMSO molecules in the reactions, forming [Ln(DMSO)8]3+ complex cations to act as counterions to the iodometallate anions. In compounds 1–3, two AgI4 tetrahedra and two PbI6 octahedra are connected into the 1D heterometallic Ag–Pb iodometallate [Ag2Pb2I9]n3n−via face-sharing. The [Ag2Pb2I9]n3n− anionic chains run parallel along the b axis in 1, and along the a axis in 2 and 3. The [Ln(DMSO)8]3+ cations are located between the chains. In compounds 4–6, two PbI6 and two PbI5O octahedra are interlinked end to end via sharing common faces to generate a 1D [(DMSO)Pb4I11]n3n− chain, which represents a new member of iodoplumbate aggregates. In the [(DMSO)Pb4I11]n3n− chain, the Pb2+ ions are joined not only via μ-I bridges, but also via μ-O bridges. The μ-O oxygen bridging has never been observed in iodoplumbates. Solid state optical absorption spectral analyses show optical band gaps in the range of 2.25–2.88 eV for compounds 1–6. Blue shift of the absorption edge caused by copolymerization of the AgI4 unit occurs on the iodoplumbates.
Bilateral Versus Unilateral Internal Thoracic Artery Revascularization in Patients with Multivessel Coronary Artery Disease

Since its introduction into the recommendations, left internal mammary artery use became a quality control measure for CABG surgery [1, 2]. LIMA to left anterior descending artery grafting can improve patients survival compared with use of an SVG. Initially patients with double IMA grafts can be at greater risk group before operation, but on 10-yeyar follow-up period their survival rate was similar to that of patients with a single IMA graft [3]. Arterial grafting of the non–left anterior descending vessels, in patients undergoing isolated coronary artery bypass graft surgery with LIMA to left anterior descending artery, can improve a 15 years survival rate compared with SV grafting [4].
An investigation of 2,4'-dihydroxy-3,3'-dimethoxy-5'-methylstilbene using X-ray crystallography and NMR spectroscopy

The E and Z forms of the title compound, C 17 H 18 O 4 , were examined by 3 C NMR and H NMR spectroscopy, and the crystal structure of the E form (m.p. 397-398 K) was determined by X-ray crystallography. Earlier reported spectral data for these two isomeric stilbenes are complemented or revised on the basis of these results.
The Role of Social Media in Development of English Language Writing Skill at School Level

Social media have been used for teaching and learning for quite some time. Social media as a learning platform making it possible for students to do self-study, exchange ideas, give comments, and submit the assignments in order to improve their grammar knowledge and writing ability. This study investigated to see how students perceived Social media in terms of ease of use, usefulness, and attitude toward the use of Social media for doing the activities and examined whether these factors were correlated. The sample consisted of 132 secondary school students selected via random sampling technique. The data was tabulated and analyzed by SPSS version 23 and applying descriptive statistical tools. It was found that social media plays a significant role in development of English language writing performance at school level.
Direct Selective Extraction of Actinides (III) from PUREX Raffinate using a Mixture of CyMe4BTBP and TODGA as 1-cycle SANEX Solvent Part III: Demonstration of a Laboratory-Scale Counter-Current Centrifugal Contactor Process

The direct selective separation of the trivalent actinides americium and curium from a simulated Plutonium Uranium Refining by EXtraction (PUREX) raffinate solution by a continuous counter-current solvent extraction process using miniature annular centrifugal contactors was demonstrated on a laboratory scale. In a 32-stage spiked test (12 stages for extraction, 16 stages for scrubbing, and 4 stages for Am/Cm stripping), an extractant mixture of CyMe4BTBP and TODGA in a TPH/1-octanol mixture was used. The co-extraction of some fission and corrosion product elements, such as zirconium and molybdenum, was prevented by using oxalic acid. Co-extracted palladium was selectively stripped using an L-cysteine scrubbing solution and the trivalent actinides were selectively stripped using a glycolic acid-based stripping solution. It was demonstrated that a selective extraction and high recovery of > 99.4% of the trivalent minor actinides was achieved with low contamination by fission and corrosion products. The product contained 99.8% of the initial americium and 99.4% of the initial curium content. The spent solvent still contained high concentrations of Cu, Cd, and Ni. The experimental steady-state concentration profiles of important solutes were determined and compared with those from computer-code calculations.
IDENTIFICATION OF ANCIENT PERSIAN PIGMENTS FROM PERSEPOLIS AND PASARGADAE

AbstractCarefully documented specimens of ancient Persian pigments taken from the surface of the limestone reliefs at Persepolis and Pasargadae, and several bulk specimens excavated at Persepolis, have been identified as Egyptian blue, malachite, hematite, cinnabar and yellow ochre. A separate group of excavated materials, also thought to have been used as pigments, were determined to be Egyptian blue, azurite, the rare green mineral tyrolite, orthorhombic sulfur, a calcite-yellow ochre mixture, and realgar. These materials were studied and identified using a combination of optical and scanning electron microscopic, atomic emission spectrographic, X-ray diffractionand fluorescence, and Fourier transform infrared spectrophotometric techniques.
Kinetic Modeling of the Bioremediation of Diesel Oil Polluted Seawater Using Pseudomonas aeruginosa NH1

In this study, the marine diesel oil-degrading bacterium strain NH1 was isolated and identified with respect to its 16S rDNA sequence as Pseudomonas aeruginosa with accession number KM267644. The ability of NH1 immobilized by entrapment in Ca-alginate gel to degrade different components of diesel oil contaminating seawater was examined in a batch system. The biodegradation rate of different components of diesel oil in free and immobilized cell systems can be ranked in the following decreasing order: total resolvable peaks (normal- and iso-alkanes) > the 16 polyaromatic hydrocarbons listed by the United States Environmental Protection Agency as priority pollutants > polyaromatic sulfur heterocyclic compounds > unresolved complex mixture (naphthenes, cyclo-alkanes, and aromatics). Kinetic modeling was performed to estimate the rate of biodegradation of each hydrocarbon type component. The biodegradation of diesel oil, total resolvable peaks and unresolved complex mixture was found to be best fitted with the second-order, while that of polyaromatic sulfur heterocyclic compounds and polyaromatic hydrocarbons followed the first-order kinetic model equations. The biodegradation rate of different components of diesel oil: aliphatics, polyaromatic sulfur heterocyclic compounds, and biomarkers (pristane, phytane, and 4,6-dimethyldibenzothiophene) was enhanced by immobilization, indicating the improved tolerance of the immobilized cells towards different toxic components of diesel oil. Storage stability and reusability tests revealed that the diesel oil degradation ability of the immobilized cells was stable after storage at 4°C for 30 d and can be effectively reused for two batches of 56 d.