Miracle-dz/UniFAR-FTUs huggingface dataset:
Application of topaz-muscovite F-OH exchange as a geothermometer

Abstract Recently reported thermodynamic data for the F end member of muscovite permitted calibration of a geo- thermometer based on the F-OH exchange between muscovite and topaz. The geothermometer provides es- timates for the temperature of greisen-forming systems that are essentially independent of pressure. At pres- sures between 500 and 4,000 bars, the temperature can be calculated using the equation T(oC) : (-0.0131P-1323)x-185, where x is equal to 1/[2 log (XoH.Toz/XF.Toz) 'l' 2 log (XF.Ms/XOH.Ms)] , using an ideal mix- ing model between topaz and muscovite end members. This geothermometer was tested with samples from four different localities where there had been previous estimates of the temperature. Calculated temperatures compared well with the previous estimates provided that the total content of doubly charged cations (Fe 2', Mg •*, and Mn •*) in the muscovite was less than 0.4 cations per formula unit (based on 22 oxygens). Introduction TEMPE•TURES at which tin greisens form have been poorly documented because of a lack of reliable geothermometers. The most widely used geothermometer is based on oxygen isotope fractionation between cassiterite and quartz. How- ever, this geothermometer cannot be confidently applied be- cause of a large discrepancy between empirical (Bor- shchevskii et al., 1983; Alderton, 1989), theoretical (Zheng, 1991), and experimental calibrations (Zhang et al., 1994). Fluid inclusions can also provide information on the temper- ature of greisen formation, but this requires that the compo- sition of the fluid and the pressure of entrapment be known. The purpose of this paper is to report on the validity of a new geothermometer that can yield convenient estimates of temperature for greisen systems. The F-OH exchange be- tween biotite and apatite has been successfully used as a ge-
Lanthanide complexes of polyoxometalates: characterization bytungsten-183 and phosphorus-31 nuclear magnetic resonancespectroscopy

Lanthanide complexes of three classes of polyoxoanions have been characterized by multinuclear ( 183 W and 31 P) NMR spectroscopy among other techniques. The tetrabutylammonium salt of the lacunary [α-2-P 2 W 17 O 61 ] 10- , prepared by metathesis of the potassium salt, was isomerically pure according to 183 W and 31 P NMR spectroscopy. The K 13 [Ln(SiW 11 O 39 ) 2 ] family of complexes show a six-line pattern in the 183 W NMR spectrum at 40 °C for the lanthanum derivative, consistent with a symmetrical structure (C 2h or C 2v symmetry), and eleven-line patterns for the ytterbium and lutetium analogues at 23 °C, suggesting a lower symmetry (C 2 ) for complexes of the heavier lanthanide ions. The same phenomenon was observed for the [α-2-Ln(P 2 W 17 O 61 ) 2 ] 17- family of compounds. High-temperature 183 W NMR experiments on the [Lu(SiW 11 O 39 ) 2 ] 13- and the [α-2-Lu(P 2 W 17 O 61 ) 2 ] 17- compounds showed a reversible broadening and coalescence of the resonances, due to a dynamic effect, possibly rotation of the oxoanion ligands.
Ozone transfer into water in a gas-inducing reactor

In this study, ozone gas mass transfer into water using a new gas-inducing reactor was investigated. The effects of various operation parameters upon the ozone volumetric mass-transfer coefficient (kL,O3a) were determined, including agitation speed, working liquid level, temperature, and superficial gas velocity in a semibatch system. Experimental results show that the ozone volumetric mass-transfer coefficient increases with increasing agitation speed, temperature, and superficial gas velocity. As the agitation speed increases, the effect on volumetric mass-transfer coefficient (kL,O3a) decreases at higher agitation speed and superficial gas velocity. For this new gas-inducing reactor, a higher ozone volumetric mass-transfer coefficient can be obtained at lower working liquid level. The kL,O3a obtained in this study ranged from 0.6 to 1.2 min-1 and was close to the literature results. In addition, the correlation for the ozone volumetric mass-transfer coefficient at pH 7 was obtained.
Synthesis and Characterization of Sodium Alginate-g-2-Hydroxyethyl Methacrylate Interpenetrating Beads for Controlled Release of Acebutolol Hydrochloride

Sodium alginate-g-2-hydroxyethyl methacrylate (HEMA) synthesis by free-radical polymerization using K2S2O8 as initiator has been carried out by varying 2-hydroxyethyl methacrylate concentration. Poly(HEMA)-grafted-sodium alginate beads were produced by a solvent evaporation technique using three different concentrations of glutaraldehyde as the cross-linking agent. The graft co-polymer beads were characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, scanning electron microscopy and X-ray diffraction. Scanning electron microscopy confirmed the spherical nature and surface morphology of particles with a mean particle size of 100 μm. The diffusional exponent (n) values of synthesized beads were found to be in the range 0.1973–0.4764, indicating a Fickian diffusion mechanism with chain relaxation controlled diffusion. Release data have been analyzed using an empirical equation to understand the nature of transport of drug containing solution through the polymeric matrices. The controlled release characteristic of the matrices for acebutolol hydrochloride was investigated in pH 7.4 media. Drug was released in a controlled manner up to 12 h.
A Microfluidic-Based Arteriolar Network Model for Biophysical and Bioanalytical Investigations

The microcirculation plays a key role in the delivery of essential substrates for oxidative processes in cells, the removal of products of cell metabolism, and the regulation of peripheral blood flow distribution. The functional properties of microvascular networks strongly depend on the rheological properties of blood and on the heterogeneity of their architecture. However, studying blood flow behaviour through in vivo microvascular systems is limited by ethical, economical and technical issues. Such limitations have opened the way to in vitro models, such as straight microcapillaries or network- like microchannel constructs, but current in vitro models present simplifications in the architecture design which result in the impossibility of faithfully reproducing key features of the in vivo microvascular haemodynamics. In the present study we report the development of a microfluidic-based in vitro model of the human arteriolar system, characterised by circular channel cross-section, network asymmetry and the presence of both bifurcation- and side-branches. The developed microdevice allows for the quantification of the velocity fields, cell-depletion layer thickness and haematocrit distribution within biomimetic microchannel networks. Results show the potential of our in vitro model in reproducing key features of blood flow behaviour which have been detected for microvascular systems in vivo, including the relationships between cell-depletion layer thickness, haematocrit and vessel diameter. The developed microdevices can find extensive applications in biological and biophysical research, where the mimicking of flow dynamics at the microcirculatory level is required
Immunogenetics of xenotransplantation

Xenotransplantation may become the highly desired solution to close the gap between the availability of donated organs and number of patients on the waiting list. In recent years, enormous progress has been made in the development of genetically engineered donor pigs. The introduced genetic modifications showed to be efficient in prolonging xenograft survival. In this review, we focus on the type of immune responses that may target xeno‐organs after transplantation and promising immunogenetic modifications that show a beneficial effect in ameliorating or eliminating harmful xenogeneic immune responses. Increasing histocompatibility of xenografts by eliminating genetic discrepancies between species will pave their way into clinical application.
Organically templated chained chlorocadmates and cadmium-chloro thiocyanates

With the protonated piperazine (pip) and triethylenediamine (1,4-diazabicyclo[2,2,2]octane, dabco) as the templates, two chained chlorocadmates [H2pip][Cd2Cl6(H2O)2] 1, [H2dabco][Cd2Cl6]·H2O 2 and two chained cadmium-chloro thiocyanates [H2pip][CdCl3(SCN)]·2H2O 3, [H2dabco]2[Cd3Cl8(SCN)2]·H2O 4 were obtained, and characterized by IR analysis, CHN analysis, TG analysis and X-ray single-crystal diffraction. The 1-D chain structure of compound 1 is the simplest, and can be described as a zigzag infinite extension of Cd octahedra via sharing the edges. Compound 2 shows a double-chain structure, comprising the dinuclear Cd2Cl9 subunits linked together via sharing the corners and the edges. Compounds 3 and 4 are the first examples of a family of organically templated chained cadmium-chloro thiocyanates. Compound 3 shows a linear-chain structure, comprising the Cd2Cl6 dimers by the SCN−groups, whereas compound 4 shows a stepped-chain structure, comprising the hexanuclear Cd6Cl16 subunits by the SCN−groups. Through intramolecular and intermolecular hydrogen-bonded interactions, all the title compounds are self-assembled into the 2-D or 3-D supramolecular networks. The fluorescence spectra show that compounds 1–3 possess fluorescence properties with emission peaks around 370 nm.
Trend in female genital mutilation and its associated adverse birth outcomes: A 10-year retrospective birth registry study in Northern Tanzania

Background Approximately 200 million women and girls were reported to have undergone female genital mutilation worldwide in 2015.UNICEF’s data based on household survey estimates 15% of women from 15–49 years have undergone FGM from year 2004–2015. Despite this, reliable data on trend of prevalence of female genital mutilation and its associated birth outcomes have not been documented in Tanzania. This study aimed at determining the trends of female genital mutilation and associated maternal and neonatal adverse outcomes in northern Tanzania. Methods A cross-sectional study was conducted using maternally-linked data from Kilimanjaro Christian Medical birth registry involving 30,286 women who gave birth to singletons from 2004–2014. The prevalence of female genital mutilation was computed as proportion of women with female genital mutilation yearly over 10 years. Odds ratios with 95% confidence intervals for adverse birth outcomes associated with female genital mutilation were estimated using multivariable logistic regression model. Results Over the 10-year period, the prevalence of female genital mutilation averaged 15.4%. Female genital mutilation decreased from 23.6% in 2005 to 10.6% in 2014. Female genital mutilation was associated with increased odds for caesarean section (aOR1.26; 95% CI: 1.18–1.34), post-partum haemorrhage (aOR 1.31; 95% CI: 1.10–1.57) and long hospital stay (aOR 1.21; 95% CI: 1.14–1.29). Female genital mutilation also increased women’s likelihood of delivering an infant with low Apgar score at 5th minute (aOR 1.60; 95% CI: 1.37–1.89). FGM type III and IV had increased odds of caesarean section, episiotomy and prolonged duration of hospital stay as compared to FGM type I and II, although the association was statistically insignificant. Conclusion Female genital mutilation prevalence has declined over the study period. Our study has demonstrated that postpartum haemorrhage, delivery by caesarean section, long maternal hospital stays and low APGAR score are associated with FGM. Initiatives to mitigate FGM practice should be strengthened further to reduce/eliminate this practice. Moreover, surgical interventions to improve severe form FGM are welcomed to improve the aforementioned aspects of obstetric outcome in this locality.
Effective core potential‐configuration interaction study of electronic structure and geometry of small neutral and cationic Agn clusters: Predictions and interpretation of measured properties

The ground state geometries of small neutral Agn(n=2–9) and cationic Agn+ (n=2–9) clusters have been determined in the framework of the Hartree–Fock and complete active space self‐consistent field (CASSCF) procedure employing a relativistic effective core potential (RECP) accounting for core–valence correlation effects (CVC). Similarities and differences between topologies of neutral and charged structures have been found. Large scale configuration interaction (CI) calculations for 5s electrons only have been carried out for determining stabilities and ionization potentials (IP). A comparison between predicted and measured observables allows tentative geometrical assignments. Structural and electronic properties of small Ia and Ib clusters are compared.
Frequency of Self-reported Psychotic Symptoms among 2542 Outpatients at Their First Visit for Mental Health Services

Objective: Psychotic symptoms are prevalent in both clinical settings and the general population. The distribution of psychotic symptoms across patients with different types of psychotic and non-psychotic mental disorders is helpful for understanding symptom specificity. This study aimed to explore the distribution differences of psychotic symptoms in an outpatient population in terms of frequency, age, gender, and psychotic and non-psychotic disorders. Methods: Outpatients were recruited consecutively at their first visit to the Shanghai Mental Health Center. Psychotic symptoms over the preceding year were self-reported through the PRIME Screen-Revised (PS-R) questionnaire. Seven categories of psychotic symptoms were grouped: perplexity and delusional mood (Item-1,5); first rank symptoms (Item-3,6,11); overvalued beliefs (Item-2,4); suspiciousness/persecutory ideas (Item-7), grandiose ideas (Item 8), perceptual abnormalities (Item-9,10), and disorganized communication (Item-12). Comparisons were made with respect to age group, sex, and diagnostic category. Results: Of 2542 outpatients, 1448(57.0%) were screened as positive, which was defined as having two or more symptoms with at least “somewhat agree” scores, ranging from 0 to 6. The threshold of one or more “yes” items was an endorsement to categorize the participant as positive for psychotic symptoms. The frequency of psychotic symptoms declined with age. Younger patients tended to report more psychotic symptoms than older patients(p < .001). Suspiciousness(p = .038) and disorganized communication (p = .004) were more common in females than males. Age, first rank symptoms, suspiciousness/persecutory ideas, grandiose ideas, and perceptual abnormalities were found to significantly differ between psychotic and non-psychotic disorders. Conclusions: Psychotic symptoms appear to be common in the clinical population and represent nonspecific indicators of psychopathology. The difference between psychotic and non-psychotic psychopathologies is more a function of the presence, frequency, and severity of psychotic symptoms.
Dietary Antioxidants and the Risk of Parkinson Disease

Objective To determine whether high baseline dietary antioxidants and total nonenzymatic antioxidant capacity (NEAC) is associated with a lower risk of Parkinson disease (PD) in men and women, we prospectively studied 43,865 men and women from a large Swedish cohort. Methods In the Swedish National March Cohort, 43,865 men and women aged 18–94 years were followed through record linkages to National Health Registries from 1997 until 2016. Baseline dietary vitamin E, vitamin C, and beta-carotene intake, as well as NEAC, were assessed by a validated food frequency questionnaire collected at baseline. All exposure variables were adjusted for energy intake and categorized into tertiles. Multivariable Cox proportional hazard regression models were fitted to estimate hazard ratios (HRs) with 95% confidence intervals (CIs) for PD. Results After a mean follow-up time of 17.6 years, we detected 465 incidence cases of PD. In the multivariable adjusted model, dietary vitamin E (HR 0.68, 95% CI 0.52–0.90; p for trend 0.005) and vitamin C (HR 0.68, 95% CI 0.52–0.89; p for trend 0.004) were inversely associated with the risk of PD when comparing participants in the highest vs the lowest tertiles of exposure. No association was found with estimated intake of dietary beta-carotene or NEAC. Conclusion Our findings suggest that dietary vitamin E and C intake might be inversely associated with the risk of PD. No association was found with dietary beta-carotene or NEAC. Classification of Evidence This study provides Class III evidence that dietary vitamin E and C intake are inversely associated with the risk of PD.
Alkaline Surfactant Polymer Formulation for Carbonate Reservoirs

Abstract This paper presents a systematic study to investigate the applicability of alkaline-surfactant-polymer (ASP) process as an enhanced oil recovery method to Saudi Arabian carbonate reservoirs. Several alkalis were first screened to test their compatibility with the injected sea water that has large quantities of divalent ions. Then surfactant-polymer, alkali-surfactant, and alkali-surfactant-polymer interactions at the reservoir temperature (90○C) were investigated. Static adsorption of surfactant on reservoir carbonate rocks were also investigated at the same temperature. Interfacial tension (IFT) measurements were made between the slugs formulated and crude oil from the same reservoir. Two surfactants were tested, Triton X-102 and Ethoxylated sulfonate (Dodiflood B1083), and the polymer tested was FLOCON 4800C. The results of the compatibility tests showed that the ASP slug has to be prepared using softened seawater and be protected by a pre- and after-flush softening seawater slugs. B1083 surfactant was found to be a promising candidate surfactant for the adverse conditions of the Saudi Arabian carbonate reservoir. A combination of NaHCO3 and Na2CO3 was found to significantly reduce the adsorption level of B1083 surfactant on carbonate rock at low surfactant concentrations ( < 1% by wt.). This is very desirable for formulation of a cost-effective ASP slug.
Coefficients of molecular packing and intrinsic birefringence of aromatic polyimides estimated using refractive indices and molecular polarizabilities

Molecular structure dependences of the coefficients of molecular packing (Kp) and the intrinsic birefringence (Δn0) were investigated for aromatic polyimides (PIs) using a method based on the modified Lorentz–Lorenz equation and the Vuks equation. This method needs only average refractive indices and polarizability tensors ( ) for PI repeating units. αˆ was calculated using the density functional theory at the B3LYP/6-31+G(d) theory level that was confirmed as optimal for PI repeating units. Because bent or kinked structures in main chain hinder the ordering of polymer chains, Kp decreases in cases that ether linkages are introduced in the main chain and that kinked-structured dianhydrides are used. Introduction of side groups, trifluoromethyl (CF3) groups in particular, also causes decreases in Kp. On the other hand, the estimated values of Δn0 are proportional to the calculated anisotropy in αˆ (Δα/Vvdw), thus Δn0 can be well predicted by computation. The values of Δα/Vvdw are decreased not only by bent structures in the main chain (e.g., ether linkage), presence of side groups, but also by large fractions of imide rings in the polymer structures. The estimated values of Δn0 range from 0.338 to 0.470, which are much larger than the reported ones for optically transparent conventional polymers. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2354–2366, 2004
Femtosecond fluorescence dynamics of trans-azobenzene in hexane on excitation to the S1(n,π*) state

Femtosecond fluorescence dynamics of trans-azobenzene in hexane have been investigated on excitation to the S 1 (n,π*) state at 432 nm using the up-conversion technique. Two transient components were observed to represent the fast and the slow S 1 fluorescence dynamics in the wavelength range of 550-732 nm. Based on the results obtained from recent ab initio calculations (Ishikawa, T.; Noro, T.; Shoda, T., J. Chem. Phys. 2001, 115, 7503), a dynamical picture is given in the following. Upon initial excitation to the S 1 state, the excited molecule is moving away from the first detection window within the observed 200-300 fs. The structural relaxation from the Franck-Condon region may be responsible for the observed fast S 1 dynamics with the driving force being the CNNC twisting motion along the rotational coordinate. For the rest of the motion on the S 1 global potential surface, the excited molecule may search for the S 0 /S 1 conical intersection for an efficient internal conversion to the ground state. The nuclear motions for the observed slow S 1 dynamics not only involve the CNNC torsional coordinate but also the other degrees of freedom such as the CNN bending coordinate on the multidimensional S 1 potential energy surface. The whole electronic relaxation process occurs within the observed 1-2 ps. The slow S 1 dynamics were found to vary with the fluorescence wavelengths due to the influence of the solvent-induced vibrational relaxation in the S 1 state; the vibrational relaxation should occur on a time scale comparable to the time scale of the electronic relaxation (S 1 →S 0 internal conversion).
SIMULTANEOUS DETERMINATION OF CATHARANTHUS ALKALOIDS USING REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY

A rapid and simple reverse phase liquid chromatographic method has been developed for the simultaneous quantitation of anticancerous drugs vincristine, vinblastine and their precursors catharanthine and vindoline. Peak purity evaluation of these compounds in plant extract has also been studied using photo–diode array–UV detector.
Optimal yarn colour combination for full-colour fabric design and mixed-colour chromaticity coordinates based on CIE chromaticity diagram analysis

It is challenging for textile designers to achieve full-colour effects in woven fabric using a limited set of coloured yarns. The common problems encountered during full-colour fabric design include an insufficient number of colours and a failure to match the fabric colour with the desired colour. Using the theories of primary colours and optical colour mixing, we examine the mixed-colour distribution of primary colour yarns on the basis of the CIE 1976 chromaticity diagram (CIE u′v′). In our experiment, dope-dyed polyester filament yarns were selected as raw materials. Eight kinds of gradually varied weave structures and four types of primary colour combination were adopted in order to make different types of full-colour fabric colour chart. Spectrophotometer and DigiEye colour measurement systems were selected to measure the reflectance and colour value of the fabric samples. By comparing the colour distribution of mixed fabrics in the CIE u′v′ diagram, the relationship between the primary colour combinations and the colour distribution of mixed fabrics is discussed. Of RGB, CMY, NCS, and RGBCMY combinations, only RGBCMY resulted in a relatively complete and large colour gamut. Moreover, the colour positions of mixed fabrics in the CIE u′v′ diagram were almost all distributed on or near the connecting line of the primary colour coordinates. The specific colour position of mixed fabrics in the CIE u′v′ diagram were mainly determined by the proportion of primary colours on the fabric surface. In this way, a new method for computing colour position in the CIE u′v′ diagram is introduced.