Miracle-dz/UniFAR-FTUs huggingface dataset:
Investigation of Zr and Si diffusion behaviors during reactive diffusion – a molecular dynamics study

Molecular dynamics simulation was used to investigate the diffusion behaviors of Zr and Si atoms during a reactive diffusion which produces Zr silicide. The simulation results were compared with those in Roy's experimental results. The profiles of mean square displacements (MSDs) of Zr and Si atoms at different temperatures were first used to evaluate the melting point above which the significant inter-diffusions of Zr and Si atom occur. The diffusion coefficients near the melting point were derived by the Einstein equation from MSD profiles. On the basis of diffusion coefficients at different temperatures, the diffusion barriers of Zr and Si atoms can be calculated by the Arrhenius equation. Compared to the corresponding experimental values, the predicted diffusion barriers at the Zr–Si interface were 23 times lower than the measured values in Roy's study. The main reason for this is that the Zr and Si atoms within the inter-diffusion region form different local ZrSi crystal alloys in the experiment, resulting in the lower diffusion coefficients and higher diffusion barriers found in the experimental observation.
A new route to the antitumour drug temozolomide, but not thiotemozolomide

Interaction of 5-aminoimidazole-4-carboxamide with alkyl isocyanates yields N-substituted 1-carbamoylimidazoles which can be cyclised to imidazo[5,1-d][1,2,3,5]tetrazin-4(3H)-ones, including temozolomide 3a, on nitrosation; a similar reaction with methyl isothiocyanate, followed by nitrosation, affords the nitrosomethylamino derivative 11 of a new ring-system, imidazo[1,5-b][1,2,4]thiadiazole.
Determination of Endogenous Neurotoxin 1-Acetyl-6,7-Dihydroxyl-1,2,3,4-Tetrahydroisoquinoline in Rat Substantia Nigra by High Performance Liquid Chromatography-Electrospray Ionization-Tandem Mass Spectrometry

The endogenous neurotoxin, 1-acetyl-6,7-dihydroxyl-1,2,3,4 –tetrahydro isoquinoline (ADTIQ), is acatecholamine isoquinoline, indicating its possible involvement in Parkinson's disease. Moreover, it has been assumed to be a bridge between diabetes and Parkinson's disease because metabolic synthesis resembles glucose metabolism. Therefore, the accurate determination of ADTIQ could play an important role in diagnosis of diabetes and Parkinson's disease. Herein, a sensitive and precise method was established to determine ADTIQ by high performance liquid chromatography-electrospray ionization-tandem mass spectrometry in multiple reaction monitoring mode. The [M+H]+ precursor product ions for ADTIQ were 208.1/190.1 and linear range of calibration curve was from 1.0 to 250.0 nM. The limit of detection and limit of quantification of the developed method were 0.2 nM and 1 nM, respectively. The inter-day, intra-day precision, accuracy, and recoveries were acceptable for biological samples. Furthermore, the reported method was used to determine ADTIQ levels in the substantia nigra of rats. The results indicated that the developed method was highly sensitive and accurate for the determination of ADTIQ.
Effects of V Substitution on Dielectric and Polarization Properties for Sr0.5Bi2.25Na1.25(Nb3−xVx)O12 Ceramics

The effects of V substitution for Nb on the dielectric and polarization properties of Sr 0.5 Bi 2.25 Na 1.25 Nb 3-x V x )O 12 ceramics were investigated in this study. From the X-ray powder diffraction results, no secondary phase was detected in the composition range of 0-0.075. The remanent polarizations (P r ) of the samples in the composition range of 0-0.03 were improved by the V substitution for Nb and the highest P r value of approximately 15 μC/cm 2 was obtained at x = 0.03; it was noted that the V substitution for Nb was effective in improving the P r values in this ceramics. On the other hand, the coercive fields (E c ) of the samples were on the order of approximately 40 kV/cm in such a composition range. Moreover, the anomalous variations in the dielectric constant were observed in the composition range of 0-0.075. Also, it was observed that the dielectric loss increased drastically at the temperature of approximately 500°C.
CO Adsorption on Mo(110) Studied Using Thermal Desorption Spectroscopy (TDS) and Ultraviolet Photoelectron Spectroscopy (UPS)

This study examined the adsorption of CO on a Mo(110) surface by Thermal Desorption Spectroscopy (TDS) and synchrotron-radiation based photoemission spectroscopy (SRPES). CO desorption was observed at approximately 400 K (α-CO) and > 900 K (β-CO). When CO was exposed to Mo(110) at 100 K, it showed a tilted structure at low CO coverage and a vertical structure after saturation of the tilted CO. After heating the CO-precovered sample to 900 K, a broad peak at 12 eV below the Fermi level was identified in the valence level spectra, which was assigned to either the 4σ-molecular orbital of CO, or 2s of dissociated carbon. TDS results of the β-CO showed a first order desorption. These results are in a good agreement with the observations of CO adsorption on W(110) surfaces.
Surface plasmon resonance of gold nano-sea-urchin

The authors synthesized high-quality gold nano-sea-urchin in aqueous solution with an environment-friendly method. They found that the gold nano-sea-urchin can induce the interaction of surface plasmon resonance (SPR) mode with substrate. The SPR peak splits and blueshifts from 630to440nm and the result has potential application for enhanced-Raman scattering, optical communications, and solar cells.
Health Literacy of Kerman Province Educa ti onal

Background and Objective: The purpose of this study was to examine the health literacy of Kerman province educational staff due to the significant influence of teachers on the level of education in society. Materials and Methods: In this descriptive cross-sectional study, the research population included Kerman ministry of education teachers who were selected using sample size formula of Cochran and with a confidence level of 95%. Three hundred seventy-eight subjects were selected using available sampling method. The Health Literacy for Iranian Adults (HELIA) which has been confirmed in other studies regarding its validity and reliability was used. Data were analyzed using descriptive statistics and SPSS software. Results: Most of the study sample included women (85%) with a bachelor’s degree (52%). Most participants acquired the required information through the healthcare staff (26%) and internet (21%). The level of health literacy in reading skills was not sufficient (59.9%), access to information (76.4%) was sufficient, insight and understanding (65%) was not sufficient, information evaluation (46.5%) was insufficient and decision making (63.2%) was not sufficient. On the whole, the level of literacy of the sample was average (61.3%) which was not sufficient. Discussion: Low level of health literacy is one of the main problems of community health. Meanwhile, due to the critical role of teachers in the growth of the community, improving the level of health literacy of this stratum is important. Therefore, empowering teachers and designing programs appropriate to healthrelated variables is essential and it is necessary to design and use sectors, such as educational centers, medical science and media universities, comprehensive educational programs and educational materials. Paper Type: Research Article
A trial of ignition innovation of gasoline engine by nanosecond pulsed low temperature plasma ignition

Application of nanosecond pulsed low temperature plasma as an ignition technique for automotive gasoline engines, which require a discharge under conditions of high back pressure, has been studied experimentally using a single-cylinder engine. The nanosecond pulsed plasma refers to the transient (non-equilibrated) phase of a plasma before the formation of an arc discharge; it was obtained by applying a high voltage with a nanosecond pulse (FWHM of approximately 80 or 25 ns) between coaxial cylindrical electrodes. It was confirmed that nanosecond pulsed plasma can form a volumetric multi-channel streamer discharge at an energy consumption of 60 mJ cycle−1 under a high back pressure of 1400 kPa. It was found that the initial combustion period was shortened compared with the conventional spark ignition. The initial flame visualization suggested that the nanosecond pulsed plasma ignition results in the formation of a spatially dispersed initial flame kernel at a position of high electric field strength around the central electrode. It was observed that the electric field strength in the air gap between the coaxial cylindrical electrodes was increased further by applying a shorter pulse. It was also clarified that the shorter pulse improved ignitability even further.
Transient Absorption Spectroscopy of Anatase and Rutile: The Impact of Morphology and Phase on Photocatalytic Activity

We employed transient absorption spectroscopy (TAS) to investigate the kinetic dependences of photocatalysis in anatase and rutile TiO2 films of varying morphology. In mesoporous films, anatase was ∼30 times more efficient than rutile in the photocatalytic degradation of an intelligent ink model system. Independent of phase, up to 100 lower levels of photocatalysis were found in dense films. Charge carrier lifetimes were probed by TAS on the microsecond to second time scale. For both rutile and anatase, recombination was independent of morphology. Rutile exhibited up to 10 times slower recombination kinetics than anatase. Efficient, irreversible hole scavenging by alcohols was present in mesoporous anatase alone, resulting in the generation of long-lived electrons (τ ≈ 0.7 s) which, upon the addition of the dye reduction target resazurin, enabled efficient electron transfer (τ ≈ 3 ms). Hole scavenging by alcohols on mesoporous rutile was substantially less efficient and more reversible than anatase, resul.
Surface-surface phonon scattering by surface inhomogeneities

A one-dimensional model is presented for surface phonon scattering into surface phonon channels by atomic inhomogeneities along a high symmetry direction in a solid surface. The model yields characteristic resonances over the full Brillouin zone of the model linear chain, for a monoatomic step and an adatom, at the limit of low concentrations where the approximation of an isolated inhomogeneity holds. Additional resonances are found near the step edges for a symmetric double step, these indicate weak localization of surface phonons on a slightly disordered surface. The theoretical results can, in principle, be tested by electron energy loss spectroscopy and He atom surface scattering.
Study on the Barrier Properties of Blends Made with Polyamide 6 and γ-Ray Irradiated HDPE in Oxygen Atmosphere

Abstract Blends composed of polyamide 6 (PA6) and high-density polyethylene (HDPE) irradiated by γ-ray with different irradiation times in oxygen atmosphere were prepared. Fourier transform infrared spectroscopy (FT-IR), differential scanning colorimetry (DSC), and scanning electron microscopy (SEM) results of blends are presented. The polar oxidized groups on the HDPE chains produced via γ-ray irradiation induce a more uniform distribution of polyamide 6 phase in the polythene matrix in comparison with that in nonirradiated HDPE matrix. This effect can be attributed to the interactions among the functional polar groups of the HDPE and PA6. Testing results show that a moderate radiation for HDPE is good to the barrier and mechanical properties of the blends.
Synthesis of highly conductive EDOT copolymer films via oxidative chemical in situ polymerization

Poly(3,4-ethylenedioxythiophene)s (PEDOT) represent a class of conjugated polymers that can be potentially used as an electrode material for flexible organic electronics due to their superior conductivity and transparency. In this study, we demonstrate that the conductivity of a PEDOT containing copolymer film can be further enhanced by the oxidative chemical in situ copolymerization of a liquid film spun coated from monomer mixture (3,4-ethylenedioxythiophene (EDOT) and 3-thienyl ethoxybutanesulfonate (TEBS)), oxidant (iron(III) p-toluenesulfonate (Fe(OTs)3)), weak base (imidazole), and solvent (methanol). We investigated that the effect of the processing parameters such as the molar ratios TEBS/EDOT, IM/EDOT, and Fe(OTs)3/EDOT on the surface morphology, optical property, and the conductivity of the resulting copolymer films. These parameters have been optimized to achieve conductivities for the copolymer films as high as 170 S/cm compared with a conductivity of 30 S/cm for the pure PEDOT film synthesized using the same fabrication method. This conductivity enhancement for the copolymer films was found to be resulted from the fact that the addition of TEBS monomer reduces the copolymerization rate, leading to the formation of much more uniform film surface without defects and copolymers of higher molecular weight which increase the conductivity of the resulting copolymer film. The composition of two monomers in the copolymer film is not related to the variation of conductivity. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 1662–1673, 2008
Concomitant Co-Infections Of Malaria And Schistosomiasis Among School Going Children In The Mining And Agricultural Concession Areas Of Kwale County, Kenya

In developing countries, parasitic infections are a major cause of morbidity and mortality. Concomitant parasite infections in human are common; this includes infections like schistosomiasis and malaria which are two of the parasitic infections with heavy economical and social burdens. Abstract: Background: The wide and overlapping distribution of parasites in Africa often results in high co-infection rates. The main factors influencing this phenomenon, also known as multiparasitism, include high frequencies of parasites in the same population, similar geographical distribution of parasites, shared risk factors, and common transmission methods. Kwale County has a number of risk factors and a favorable geographical location on the Coast of Kenya. The main risk factors include large fresh water bodies, the ocean, high temperatures, humidity and a high poverty index within the community. Materials and Methods: A malaria/schistosomiasis co-infection prevalence study was carried out between the months of September and October 2015 in areas surrounding mining and sugarcane growing areas of Kwale County. The study was done as part of a Health Impact Assessment (HIA) Study. Children between the ages of 5 and 15 years were selected from schools in the large scale mining areas and were tested for concomitance presence of Schistosomiasis and Malaria. Participants’ demographic data were collected via the administration of questionnaires. Blood and urine samples were collected from the study participant, blood samples were tested for malaria while urine samples were tested for schistosomiasis. A total of 151 children were tested for both malaria and schistosomiasis. Malaria Rapid Diagnostic (MRD) tests were used to assess children for malaria, this was done using blood samples. Urine filtration tests were used to establish presence of Schistosomiasis using urine samples. Chi-square test and Fisher’s exact test were used to test for significance between the independent and dependent variables. Results: Sixty three out of 181 had malaria (35%, n= 181), 18 out of 151 had schistosomiasis (12%, n=151). Conclusion: These findings suggest that malaria-schistosomiasis co-infections exist among school going children between ages 5-15 in Kwale County. Co-infection rate was associated with patient characteristics. Children who had Schistosomiasis had malaria infection too except for few cases 4% (6) that had only Schistosomiasis infection. Malaria cases were higher than Schistosomiasis, which calls for integrated disease control interventions to mitigate both malaria and Schistosomiasis and consequent co-infections.
Seasonal Variability of Iodomethane (CH3I) Production in the Surface Ocean

Methyl iodide is a major carrier of gas phase iodine from the ocean into the atmosphere. In the atmosphere, CH3I is photodissociated by near-UV light, and participate in ozone destruction and aerosol formation in troposphere. In the ocean, the production sources and sinks, inlcuding sea-air flux, of methyl iodide must be investigated to understand the CH3I global cycle.
Contribution of transforming growth factor-β signaling to intestinal cancer development

The Transforming Growth Factor (TGF-β) signaling pathway is a tumor-suppressor pathway that is commonly inactivated in colon cancer. TGF-β is a secreted ligand that mediates its effects through a transmembrane heteromeric receptor complex, which consists of type I (TGFBR1) and type II subunits (TGFBR2). Approximately 25% of colon cancers carry TGFBR2 mutations, demonstrating that it is a common target for mutational inactivation in this cancer. To assess the functional role of TGFBR2 inactivation in the multistep progression sequence of colon cancer, we generated a mouse model that recapitulates two common genetic events observed in human colon cancer by mating Apc mice with mice that are null for Tgfbr2 in the intestinal epithelium, Villin-Cre;Tgfbr2 mice. In this model, we observed a dramatic increase in the number of intestinal adenocarcinomas in the Apc;Villin-Cre;Tgfbr2 mice (referred to as Apc;Tgfbr2) compared to those mice with intact Tgfbr2, (Apc;Tgfbr2). Additionally, in vitro analyses of epithelial tumor cells derived from the Apc;Tgfbr2 mice showed enhanced expression and activity of MMP-2 and MMP-9, as well as increased TGF-β1 secretion in the conditioned medium. Similarly, primary tumor tissues from the Apc;Tgfbr2 mice also showed elevated amounts of TGF-β1 as well as higher MMP-2 activity in comparison to Apc;Tgfbr2-derived tumors. Thus, loss of TGFBR2 in intestinal epithelial
Turing Patterns in Confined Gel and Gel-Free Media

We show that the Turing structures recently discovered with the chlorite-iodide-malonic acid oscillating reaction in open gel-filled reactors depend neither on the chemical nature of the gel nor on the actual presence of gels. In contrast, the concentration of starch (the color indicator) can play a crucial role on the development of these structures. We conclude that the iodide-iodine-starch complex mediates the relative differences in the diffusivity of reacting species necessary to obtain Turing structures
IoT based Anti-Poaching System for Trees and Wildlife Monitoring System in Remote Area

: These days we see a lot of news about how smuggling/theft of most important trees such as sandalwood, sagwan in forests, poses a serious threat to forest resources, and also brings about an economical damage as they are poached for their medicinal values. Even wildlife is endangered due to their differential cost in the wet markets. This project is based on IoT technology and also follows WSN principles to obtain a client-server model. A network of sensors is used in each node (also known as the client) to monitor the surrounding behavior of the trees which detects forest fires and anti-poaching. Each node connects to several other nodes via routing protocols communicating to each other and the status (data) of the sensors is constantly collected by the client. If the monitored data is above the threshold, it immediately sends a notification to the server which will send the message to inter-connected servers. This goes on until it reaches the concerned authority along with the node’s location using a GPS module via the internet. A similar principle adheres to the Animal section. The health of the animal is monitored where, if the temperature of the animal goes beyond the threshold value, the connected node sends a notification to the server and so on until it reaches the concerned authority along with the RFID tag and location of the animal using RFID module and GPS module via the internet.
Characterization of Ti-doped CdTe and Cd1-xHgxTe crystals

Studies were carried out of the low-temperature optical and photoelectric properties of Ti-doped CdTe and Cd1-xHgxTe crystals. The absorption is due to intracentral transitions from the main 3A2(3F)-state to excited 3T1(3P)- (1.15 eV) and 3T1(3F)-(0.65 eV) states. It was shown that the maximum of photogalvanic current band corresponds to the energy 1.12 eV. It indicates that the excited 3T1(3P)-state of the Ti2+ ions is in the resonance with the conduction band and is located near the bottom at a distance not more than 50 meV. The analogous structure of the absorption and photogalvanic current spectra appear also the Cd1-xHgxTe:Ti crystals. In this case the long-wave edge of absorption band is some what prolonged. Therefore the use of Cd1-xHgxTe:Ti crystals makes it possible to move the spectral region of their photosensitivity to the long-wave side. On the base of the results of photoluminescence and photogalvanic current spectra it was shown that main structural defects for the investigated crystals are V Cd, and also acceptor complexes of type (V2-Cd + D+)-. These defects participate in compensation of charge in the investigated crystals, which are semiinsulating and therefore suitable for carrying out the photorefractive measurements.
Students’ Multiple Intelligence Profile as a Guidelines for Enhancement of Chemistry Teaching and Learning Quality

Perbedaan jenis kecerdasan mahasiswa merupakan bagian yang sangat mempengaruhi proses pengajaran dan pembelajaran di kelas. Di sisi lain, sebagian besar mahasiswa mengalami kesulitan dalam memahami materi kimia baik secara makroskopis atau multi representasi, sehingga pengajar butuh acuan dalam mendesain suatu konsep pembelajaran yang cocok. Studi ini bertujuan untuk mengetahui profil jenis kecerdasan mahasiswa berbasis multiple intelligence (kecerdasan majemuk). Metode penelitian yang digunakan adalah penelitian deskriptif dengan pendekatan kuantitatif agar memperoleh gambaran isu yang ingin diidentifikasi. Sampel studi yakni seluruh mahasiswa pendidikan kimia angkatan 2014, 2015, 2016, dan 2017. Teknik pengumpulan data menggunakan teknik angket. Hasil studi menunjukkan bahwa jenis multiple intelligence (kecerdasan majemuk) mahasiswa yang paling dominan yakni kinestetik (14.15%), interpersonal (14.94%), intrapersonal (17.13%), dan naturalis (13.69%). Secara tidak langsung, data menunjukkan bahwa rata-rata mahasiswa pendidikan kimia memiliki potensi dan minat belajar yang baik meskipun belajar kimia butuh kecerdasan spasial agar memudahkan mereka paham konten materi. Kesimpulan yang dapat diambil adalah pengidentifikasian profil mahasiswa dalam konteks pembelajaran merupakan unsur penting bagi setiap pengajar, artinya profil tersebut menjadi pedoman dalam meningkatkan kualitas pengajaran dan pembelajaran kimia di kelas.
Structure and dynamics of suspensions of charged rod-like particles

Suspensions of charged rod-like particles are investigated theoretically in a concentration regime where the mean distance between rods is comparable to their length, L. The structure of these systems is studied by Monte Carlo simulations and a perturbation theoretical scheme. Results for the pair distribution function g(12) are obtained, which show the onset of angular correlations at the cross-over concentration c*=L–3. Above c* there is a tendency for local alignments of neighbouring rods, although the systems remain globally isotropic up to c= 4c*, which is the highest concentration investigated. As a consequence, the peak position kmax of the structure factor S(k) scales as kmax∼c1/2 for c > c* in contrast to the c1/3 behaviour for c < c*, where the rods behave as spherical particles. The time-correlation function of quasielastic scattering experiments is derived from a dynamical mean field theory. From it the collective diffusion coefficient and the first cumulant are obtained. The influence of the interaction between rods and of the coupling of translational and rotational diffusion are discussed.