Miracle-dz/UniFAR-FTUs huggingface dataset:
FORMULATION AND EVALUATION OF PECTIN-CALCIUM CHLORIDE BEADS OF AZATHIOPRINE FOR COLON TARGETED DRUG DELIVERY SYSTEM

Objective: Calcium pectinate is an insoluble hydrophilic material used for sustained release delivery. The objective of the study was formulation and evaluation pectin-calcium chloride beads of azathioprine. Methods: Calibration curves of azathioprine were prepared in 0.1N HCl solution (pH-1.2) and phosphate buffer (pH-6.8 and pH-7.4). Fourier transform infrared spectroscopy and differential scanning calorimetry was used to determine compatibility between azathioprine and excipients. Formulation and optimization of calcium-pectinate beads were performed. The coating of the optimized batch was performed with eudragit S100. Micrometric properties, scanning electron microscopy, in vitro azathioprine release, and stability study was performed. Dissolution kinetic study was assessed for various kinetics models of the optimized batch. The Wilcoxon test followed by the Dunnett’s multiple comparison tests were performed between uncoated and coated beads in vitro dissolution profile of optimized batch in 0.1N HCl after 2 h. Results: Fourier transform infrared spectroscopy and differential scanning calorimetry had identical peaks with that of pure azathioprine in compatibility study. Scanning electron microscopy of an uncoated optimized batch of beads indicated the smooth and uniform surface of prepared beads. Eudragit S100 coating was decreased release of azathioprine release in 0.1N HCl after 2 h ( p = 0.049, q = 3.533). Korsmeyer/Peppa's model was applied with release exponent higher than 1. In vitro percentage cumulative azathioprine release was identical before and after stability study. Conclusion: Calcium pectinate beads of azathioprine, a multi-particulate dosage form using pH-dependent approaches were prepared.
Évaluation de l'impact des antibiotiques sur la formation de biofilms par P. aeruginosa : place de l'Antibiofilmogramme®

Les patients mucoviscidosiques sont predisposes a une colonisation chronique de l’arbre bronchique par P. aeruginosa. Ce pathogene opportuniste se caracterise par sa capacite a adherer a une surface et a y former un biofilm protecteur, hautement tolerant aux agents antimicrobiens. En routine, les antibiogrammes sont effectues sur des cultures bacteriennes planctoniques. L’efficacite des antibiotherapies ainsi selectionnees est donc peu probante pour l’eradication des biofilms bacteriens. La realisation d’Antibiofilmogrammes® sur des isolats cliniques mucoviscidosiques (nouvel outil evaluant la sensibilite des bacteries sessiles aux antibiotiques) a permis de mettre en evidence des phenomenes d’inhibition et d’induction de la formation du biofilm. Plus precisement, les aminosides sont capables de retarder l’adherence bacterienne. A l’inverse, la famille des β-lactamines presente la capacite de stimuler l’adhesion precoce des micro-organismes. Ces differents effets de l’antibiotherapie generale sur le comportement microbien se verifient par l’intermediaire de techniques conventionnelles in vitro (Cristal Violet, traitement enzymatique a la DNase I) et cellulaires (modele de co-culture statique cellules eucaryotes/bacteries). La pertinence clinique de l’Antibiofilmogramme® se confirme donc par sa capacite a detecter l’initiation precoce de l’adhesion bacterienne, a selectionner les molecules l’inhibant et a ecarter celles pouvant l’induire. Associee aux antibiogrammes traditionnels, son application peu permettre d’affiner les strategies therapeutiques pour le traitement des infections pulmonaires chroniques developpees au cours de la mucoviscidose.
Attitudes of parents and children toward housing inheritance in a Tokyo suburb

ABSTRACT In detached housing estates in the suburbs of Tokyo, increasing vacancies in inherited houses have become a problem. This study aimed to assess the risk of vacant house generation and identify risk factors through analyses focusing on parent–child discussions. A questionnaire survey of parents in Koma-Musashidai, Saitama Prefecture, and their children who lived apart regarding their future intentions of inheritance of the parents’ houses using cross and logistic regression analyses revealed that 66.5% of the parent–child pairs had had no discussion, 20.5% had different impressions of the results of the discussion, and 7.8% were at high risk of producing vacant houses. Furthermore, the analyses identified the factors associated with parents’ intention to bequeath their houses: discussions with their children, old age, high age of the house, lack of proactive measures, anxiety about renting, and stronger community attachment; and the factors associated with children’s intention to leave their parents’ houses: inadequate discussions with their parents, home ownership, and lack of relationships with neighbors. These results suggest that it could be beneficial to encourage parents and children to participate together in seminars and consult with experts before parents become older to reduce the risk of vacant houses. GRAPHICAL ABSTRACT
Statistical methods for tracking data in sports

In this thesis, we examine player tracking data in basketball and soccer and explore statistical methods and applications related to this type of data. First, we present a method for nonparametric estimation of continuous-state Markov transition densities, using as our foundation a Poisson process representation of the joint inputoutput space of the Markovian transitions. Modeling a transition density as a point process creates a general framework that admits a variety of implementations and includes some historical methods for nonparametric transition density estimation as a special case. Representing transition densities with a nonstationary point process allows the form of the transition density to vary rapidly over the space, resulting in a very flexible estimator of the transition mechanism. A key feature of this point process representation is that it allows the presence of spatial structure to inform transition density estimation. We illustrate this by using our method to model ball movement in the National Basketball Association, enabling us to capture the effects of spatial features, such as the three point line, that impact transition density values. Next, we consider a sports science application. Sports science has seen substantial benefit from player tracking data, as high resolution coordinate data permits sports scientists to have to-the-second estimates of external load metrics, such as acceleration load and high speed running distance, traditionally used to understand the physical toll a game takes on an athlete. Unfortunately, collecting this data requires installation of expensive hardware and paying costly licensing fees to data providers, restricting its availability. Algorithms have been developed that allow a traditional broadcast feed to be converted to x-y coordinate data, making tracking data easier to acquire, but coordinates are available for an athlete only when that player is within the camera frame. Obviously, this leads to inaccuracies in player load estimates, limiting the usefulness of this data for sports scientists. In this research, we develop models that predict offscreen load metrics and demonstrate the viability of broadcast-derived tracking data for understanding external load in soccer. Finally, we address a tactics question in soccer. A key piece of information when evaluating a matchup in soccer is understanding the formations utilized by the different teams. For example, a weaker team playing against a stronger opponent may choose to play a highly iii defensive formation with five defenders, four midfielders, and one attacker, commonly referred to as a 5-4-1. Multiple researchers have developed methodology for learning these formations from tracking data, but they do not work when faced with the heavy censoring inherent to broadcast tracking data. We present an algorithm for aligning broadcast tracking data with the origin, and then show how the aligned data can be used to learn formations, with performance comparable to formations learned from the full tracking data.
Efficient photocatalysis with graphene oxide/Ag/Ag2S–TiO2 nanocomposites under visible light irradiation

Lack of visible light response and low quantum yield hinder the practical application of TiO2 as a high-performance photocatalyst. Herein, we present a rational design of TiO2 nanorod arrays (NRAs) decorated with Ag/Ag2S nanoparticles (NPs) synthesized through successive ion layer adsorption and reaction (SILAR) and covered by graphene oxide (GO) at room temperature. Ag/Ag2S NPs with uniform sizes are well-dispersed on the TiO2 nanorods (NRs) as evidenced by electron microscopic analyses. The photocatalyst GO/Ag/Ag2S decorated TiO2 NRAs shows much higher visible light absorption response, which leads to remarkably enhanced photocatalytic activities on both dye degradation and photoelectrochemical (PEC) performance. Its photocatalytic reaction efficiency is 600% higher than that of pure TiO2 sample under visible light. This remarkable enhancement can be attributed to a synergy of electron-sink function and surface plasmon resonance (SPR) of Ag NPs, band matching of Ag2S NPs, and rapid charge carrier transport by GO, which significantly improves charge separation of the photoexcited TiO2. The photocurrent density of GO/Ag/Ag2S–TiO2 NRAs reached to maximum (i.e. 6.77 mA cm−2vs. 0 V). Our study proves that the rational design of composite nanostructures enhances the photocatalytic activity under visible light, and efficiently utilizes the complete solar spectrum for pollutant degradation.
Fiber enhanced Raman sensing of levofloxacin by PCF bandgap-shifting into the visible range

Fiber enhanced Raman spectroscopy is introduced for chemically selective and sensitive monitoring of antibiotics in aqueous media. The bandgap of a hollow core photonic crystal was blue shifted, in order to provide low loss light guidance in the important visible range in a water filled central core of the fiber. Such a sensor fiber provides a spectral window for light guidance for a complete Raman spectrum up to 4000 cm−1 with λexc = 532 nm and enables an extremely strong light–analyte interaction within the liquid-filled fiber core. It was shown that a precise optical coupling must be guaranteed, in order to provide strong analyte signals and to avoid background noise. The fiber itself was used as an optical waveguide and also as a miniaturized sample container for antibiotic solutions. A strongly improved analytical sensitivity could be achieved and it was possible to improve the limit-of-detection for the frequently used broad spectrum antibiotic levofloxacin down to clinically relevant concentrations of 20 μM with only 8 nL sample volume in the fiber core. Fiber enhanced Raman spectroscopy has great potential as a new point of care tool for chemical selective and ultrasensitive monitoring of antibiotic levels, enabling rapid dose adjustment in critically ill patients with severe infections, who require individual dosing due to large inter- and intra-individual changes in pharmacokinetic properties.
Las políticas basadas en evidencia como plataformas para la innovación de políticas públicas

En los ultimos anos, han surgido casos paradigmaticos de vinculacion entre politica publica y evidencia. Estas practicas han dado lugar a incipientes debates academicos que describen sus rasgos y logros, pero que aun no han acordado una definicion normalizada que las identifique. El presente articulo pretende definir que son las politicas basadas en evidencia (PBE) a la luz del naciente debate academico y de las practicas gubernativas mas destacadas. Para ello, se exploraran las distintas definiciones de dicho concepto en la literatura especializada, los metodos para determinar la evidencia, y los riesgos y las limitaciones de este enfoque. Asimismo, se analizaran comparativamente las dos experiencias pioneras en la implementacion de estas politicas: la britanica y la estadounidense. AbstractIn recent years, some paradigmatic cases about the relationship between public policy and evidence have emerged. These practices have raised incipient academic debates describing their features and achievements, but a normalized definition that would identify them has not been agreed upon yet. The present article aims at defining what is, in effect, a policy based upon evidence (PBE), in the light of the emerging debate and the most conspicuous governance practices. To this effect, it will explore various definitions of this concept within the specialized literature; the methods for determining the evidence; and the risks and limitations of this approach. In addition, it will comparatively analyse two pioneering experiences in the implementation of these policies: the British and the American.
Density Function Theory Study of Hydrodesulfurization Mechanism by Molybdenum Sulfide Clusters

In this thesis, we explored the potential energy surfaces of MoSx and Mo3Sx clusters interacting with H2 and methane. We started by looking at the bare MoSx clusters to determine which would most readily combine with other atoms. We narrowed our search down to the MoS3 and MoS4 clusters, then ran geometry optimization calculations on those structures combined with H2 or methane. Once we had a working set of minima structures, we ran calculations to find the transition state structures connecting them. In the 3rd chapter of the thesis we did a similar study on the Mo3Sx clusters. Gold et. al. previously determined that the Mo3Sx clusters with x=6,7,8 are most likely to take part in the hydrodesulfurization reaction. Using the low energy structures from those Mo3Sx clusters as a starting point, we investigated the interactions of methane with the catalyst. We found energetic trends that were consistent with the results of our MoSx calculations. We also found several transition state structures that, along with the corresponding intrinsic reaction coordinate calculations, depicted methanethiol being converted to methane on the Mo3Sx cluster.
Biogas upgrading using single-walled carbon nanotubes by molecular simulation

Abstract Biogas from anaerobic digestion of biological wastes is a renewable energy resource that mainly contains CH4, CO2, trace amounts of H2S and a fraction of H2O vapour. In order to transfer biogas into biomethane to meet the standards for use as vehicle fuel or for injection in the natural gas grid, removing H2S from biogas in advance is necessary. In addition, biogas is usually saturated with water vapour. It is significant to study the effect of the presence of H2O on the biogas separation performance. Adsorption of H2S/CO2/CH4 and H2O/CO2/CH4 ternary mixtures using single-walled carbon nanotubes (SWCNT) were investigated via the Grand Canonical Monte Carlo (GCMC) method. We studied the effects of carbon nanotube diameter, –COOH modification, temperature and pressure on H2S adsorption. The results indicate that the presence of hydrophilic –COOH groups does affect the separation of H2S/CO2/CH4 mixtures. Temperature swing adsorption is more suitable than pressure swing adsorption for the separation of H2S/CO2/CH4 mixtures. The effect of water vapour on the separation of CO2/CH4 was also investigated. The result shows that the presence of H2O has little effect on the selectivity of CO2/CH4 in pristine CNT, but the selectivity of CO2/CH4 with the presence of H2O is markedly enhanced after modification in –COOH modified SWCNT with specific modification degree. It is expected that this work could provide some useful information for biogas upgrading.
Development on porous particles of Pueraria lobatae Radix for improving its compactibility and dissolution

Herein, we report a study on the influence of particles having different porosities on tablet performance. The ethanol extract of Pueraria lobatae Radix (EPL) was chosen as the model drug. A series of porous EPL particles were prepared by co-spray drying EPL with different amounts of ammonium bicarbonate (NH4HCO3), and their powder properties (particle morphology, particle size, porosity, flowability, bulk density, and tap density) and tablet properties (tensile strength, Esp, yield pressure, dissolution, etc.) were comparatively investigated. The results showed that there were significant differences in the fundamental and functional properties of the spray-dried and parent EPLs. First, the irregular and dense primary EPL particles were transformed into loose, hollow, and spheroidal particles via co-spray drying with NH4HCO3. Second, compared to parent EPL, porous EPLs showed a significant improvement (1.80–7.03 times) in compactibility. Third, the dissolution rates of porous EPLs were similar, and all were more than twice as fast as that of parent EPL. The increased porosity, on the one hand, led to the increase in interparticle and intraparticle bonding forces during tableting and, on the other hand, facilitated water intrusion into tablets for disintegration and dissolution. Porous particle design is therefore promising, especially for drugs with both poor compactibility and dissolution.
Antioxidative capacity of hydrolyzed rapeseed cake extract and oxidative stability of fish oil-in-water emulsion added with the extract

Rapeseed cake was extracted with 80% ethanol and then fractionated with H2O (fraction I) as well as with 30% (II), 50% (III), 70% (IV), and 100% ethanol (V). Total phenolic content (TPC), 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity, ferric-reducing antioxidant potential, and Trolox equivalent antioxidant capacity were in the order of fractions II > III > I > IV > V. The three fractions with high antioxidant activities and TPC (I, II, and III) were pooled and hydrolyzed by NaOH solution, resulting in 18.97 mg sinapic acid/g hydrolyzed extract and 21and 2.2-fold increases in TPC and DPPH radical scavenging activity, respectively. Hydrolyzed rapeseed cake extracts (200, 500, and 1,000 ppm) and catechin (200 ppm) as a comparison were added to 10% fish oil-in-water emulsion, and their effects on oxidative stability were investigated by measuring hydroperoxide values (PV) during refrigerated storage. PVs were significantly lower in the emulsions with added hydrolyzed extract as compared to the control (p<0.05) and significantly decreased with increasing extract concentration (p<0.05) over a period of 29 days. The emulsion added with hydrolyzed extract showed higher PV than that added catechin at the same concentration (200 ppm) during 13-22 days (p<0.05), but after then, the PV was not significantly different (p>0.05). This study indicates that hydrolyzed rapeseed cake extract rich in sinapic acid may inhibit oxidation in a fish oil-in-water emulsion in a concentration-dependent manner.
Impact of Layer Alignment on the Behavior of MoS 2 − ZrS 2 Tunnel Field-Effect Transistors: An Ab Initio Study

Two-dimensional materials are all the rage, in part because they may be deposited monolayer by monolayer to create custom-built electronic materials not found in nature. For example, van der Waals heterostructures of MoS${}_{2}$ and ZrS${}_{2}$ are promising for tunnel field-effect transistors, but what happens to device performance if the loosely bound layers shift? This first-principles study reveals that layer misalignment has a significant impact on tunneling current. Its results stress the importance of considering not just band alignment, but also lattice parameters, when designing such multilayers.
Backbone rearrangement during olefin capture as the rate limiting step in molecular olefin polymerization catalysis and its effect on comonomer affinity

Available experimental data for several metallocenes indicate that the ethene/propene copolymerization ratio rc can be much more temperature dependent than would be expected if competing insertion transition states (TS) are rate limiting. Detailed exploration of the reaction paths reveals in several cases the existence of a “capture-like” transition state before the actual insertion, with free energies close to the insertion TS. Movement around these transition states does not just involve monomer and chain, but also clear distortion of the ligand skeleton to allow entry of the monomer. Taking these additional TSs into account leads to much improved agreement with experiment for a series of metallocenes and a constrained geometry catalyst system. Depending on catalyst and temperature, selectivity is determined by competing insertion/insertion, capture/insertion or capture/capture. It seems likely that this is a common situation especially for highly efficient catalysts, complicating (but not preventing) prediction of copolymerization performance. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017
Temporal evolution of chlorine and minor species related to ozone 
depletion observed with ground-based FTIR at Syowa Station, Antarctica and satellites during austral fall to spring in 2007 and 2011

Abstract. To understand and project future ozone recovery, understanding of mechanisms related to polar ozone destruction is crucial. For polar stratospheric ozone destruction, chlorine species play an important role, but detailed temporal evolution of chlorine species in the Antarctic winter is not well understood. We retrieved lower stratospheric vertical profiles of O3, HNO3, and HCl from solar spectra taken with a ground-based Fourier-Transform infrared spectrometer (FTIR) installed at Syowa Station, Antarctica (69.0º S, 39.6º E) from March to December 2007 and September to November 2011. We analyzed temporal variation of these species combined with ClO, HCl, and HNO3 data taken with the Aura/MLS (Microwave Limb Sounder) satellite sensor, and ClONO2 data taken with the Envisat/MIPAS (The Michelson Interferometer for Passive Atmospheric Sounding) satellite sensor at 18 and 22 km over Syowa Station. When the stratospheric temperature over Syowa Station fell below polar stratospheric cloud (PSC) saturation temperature in early winter, PSCs started to form and heterogeneous reaction on PSCs convert chlorine reservoirs into reactive chemical species. HCl and ClONO2 decrease occurred at both 18 and 22 km, and soon ClONO2 was almost depleted in early winter. When the sun returned to Antarctica in spring, enhancement of ClO and gradual O3 destruction were observed. During the ClO enhanced period, negative correlation between ClO and ClONO2 was observed in the time-series of the data at Syowa Station. This negative correlation was associated with the distance between Syowa Station and the inner edge of the polar vortex. Temporal variation of chlorine species over Syowa Station was affected by both heterogeneous chemistry related to PSC occurrence deep inside the polar vortex, and transport of an NONOx-rich airmass from lower latitudinal polar vortex boundary region which can produce additional ClONO2 by reaction between ClO and NO2. We used MIROC3.2 Chemistry-Climate Model (CCM) results to see the comprehensive behavior of chlorine and related species inside the polar vortex and the edge region in more detail. Rapid conversion of chlorine reservoir species (HCl and ClONO2) into Cl2, gradual conversion of Cl2 into Cl2O2, increase of ClO when sunlight became available, and conversion of ClO into HCl, was successfully reproduced by the CCM. HCl decrease in the winter polar vortex core continued to occur due to the transport of ClONO2 from the subpolar region (55–65º S) to higher latitudes (65–75º S), providing a flux of ClONO2 from more sunlit latitudes into the polar vortex. The deactivation pathways from active ClO into reservoir species (HCl and/or ClONO2) were found to be highly dependent on the availability of ambient O3 and NOx. At an altitude where most ozone was depleted in Antarctica, most ClO was converted to HCl. However, when there were some O3 and NOx available, super-recovery of ClONO2 can occur, similar to the case in the Arctic.