Miracle-dz/UniFAR-FTUs huggingface dataset:
Experimental investigation of basalt and peridotite oxybarometers: Implications for spinel thermodynamic models and Fe3+ compatibility during generation of upper mantle melts

Abstract Peridotites dredged from mid-ocean ridges and glassy mid-ocean ridge basalts (MORB) transmit information about the oxygen fugacity fo2) of Earth’s convecting upper mantle to the surface. Equilibrium assemblages of olivine+orthopyroxene+spinel in abyssal peridotites and Fe3+/ΣFe ratios in MORB glasses measured by X-ray absorption near-edge structure (XANES) provide independent estimates of MORB source region fo2, with the former recording fo2 approximately 0.8 log units lower than the latter relative to the quartz-fayalite-magnetite (QFM) buffer. To test cross-compatibility of these oxybarometers and examine the compositional effects of changing fo2 on a peridotite plus melt system over a range of Earth-relevant fo2, we performed a series of experiments at 0.1 MPa and fo2 controlled by CO-CO2 gas mixes between QFM-1.87 and QFM+2.23 in a system containing basaltic andesite melt saturated in olivine, orthopyroxene, and spinel Oxygen fugacities recorded by each method are in agreement with each other and with the fo2 measured in the furnace. Measurements of fo2 from the two oxybarometers agree to within 1σ in all experiments. These results demonstrate that the two methods are directly comparable and differences between fo2 measured in abyssal peridotites and MORB result from geographic sampling bias, petrological processes that change fo2 in these samples after separation of melts and residues, or abyssal peridotites may not be residues of MORB melting. As fo2 increases, spinel Fe3+ concentrations increase only at the expense of Cr from QFM-1.87 to QFM-0.11. Above QFM, Al is also diluted in spinel as the cation proportion of Fe3+ increases. None of the three spinel models tested, MELTS (Ghiorso and Sack 1995), SPINMELT (Ariskin and Nikolaev 1996), and MELT_CHROMITE (Poustovetov and Roeder 2001), describe these compositional effects, and we demonstrate that MELTS predicts residues that are too oxidized by >1 log unit to have equilibrated with the coexisting liquid phase. Spinels generated in this study can be used to improve future thermodynamic models needed to predict compositional changes in spinels caused by partial melting of peridotites in the mantle or by metamorphic reactions as peridotites cool in the lithosphere. In our experimental series, where the ratio of Fe2O3/FeO in the melt varies while other melt compositional parameters remain nearly constant, experimental melt fraction remains constant, and Fe3+ becomes increasingly compatible in spinel as fo2 increases. Instead of promoting melting, increasing the bulk Fe3+/ΣFe ratio in peridotite drives reactions analogous to the fayalite-ferrosilite-magnetite reaction. This may partly explain the absence of correlation between Na2O and Fe2O3 in fractionation-corrected MORB.
Electron Localization States in Asymmetric Shape Carbon Nanotubes Caused by Hydrogen Adsorption

In this paper, we presented pseudopotential-based density functional theory studies on energy, structure, energy band structure of hydrogenated single-walled carbon nanotube. The stability of the configuration mainly depends on hydrogen coverage. According to the adsorption energies, the stability deteriorates with the increase of the hydrogen adsorption. The cross section of configurations become various shapes such as “beetle” or “lip” appearance without the balanced effects of hydrogen atoms. We also explored the energy band structures of configurations in three typical adsorption patterns, showing that the disparate trends of energy band gap as the hydrogen atoms concentrate. For C32H24, the band gap may reach the large value of 2.79 eV for the adsorption pattern A configuration and reduce to be zero for the adsorption pattern C case, the values of band gap for pattern A configurations decrease, which is opposite of the pattern B configurations as the adsorption hydrogen becomes more disperse. It is deduced that the hydrogen adsorption has significant effect on the electrical properties of the carbon nanotube.
Connecting the Chemical Composition of Planetary Atmospheres with Planet Formation

What sets the observable chemical composition of exoplanetary atmospheres? The available chemical abundance of the planet’s natal protoplanetary disk gas will have a deciding role in the bulk abundance of the atmosphere very early in the planet’s life. While late accretion of ices and interatmosphere physical processing can change the observable chemical abundances. We have developed a theoretical model which connects the chemical and physical evolution of an accretion disk with the growth of a young planet to predict the bulk chemical abundance of the planetary atmosphere that is inherited from the disk. We assess what variation in atmospheric chemical abundances are attributed to different planet formation histories. We find differences in the relative abundances of primary nitrogen carriers NH3 and N2 depending on when the planet accreted its gas. Early (t < 1 Myr) accreters predominately accreted warmer gas which tend to have its nitrogen in NH3, while later protoplanets accrete colder, more N2 dominated gas. Furthermore we compute the carbon-to-oxygen ratio (C/O) for each planets, which is used to infer where a planet forms in its accretion disk. We find that each of our planets accrete their gas very close to the water ice line, thereby accreting ‘pristine’ gas with C/Oplanet exactly matching its host star. We extend our results by tuning our initial disk parameters to reproduce the properties of the HL Tau disk. We produce three models that span the range of measured gas masses, and one model which studies a UV quiet system. We generally find that planet formation is efficient enough to produce a Jupiter-massed planet within the predicted 1 Myr age of the disk. We find a correspondence between the radial locations of ice lines within our astrochemical model and the set of observed dust gaps in the HL Tau system.
Size Separation Techniques for the Characterisation of Cross-Linked Casein: A Review of Methods and Their Applications

Casein is the major protein fraction in milk, and its cross-linking has been a topic of scientific interest for many years. Enzymatic cross-linking has huge potential to modify relevant techno-functional properties of casein, whereas non-enzymatic cross-linking occurs naturally during the storage and processing of milk and dairy products. Two size separation techniques were applied for characterisation of these reactions: gel electrophoresis and size exclusion chromatography. This review summarises their separation principles and discusses the outcome of studies on cross-linked casein from the last ~20 years. Both methods, however, show limitations concerning separation range and are applied mainly under denaturing and reducing conditions. In contrast, field flow fractionation has a broad separation range and can be easily applied under native conditions. Although this method has become a powerful tool in polymer and nanoparticle analysis and was used in few studies on casein micelles, it has not yet been applied to investigate cross-linked casein. Finally, the principles and requirements for absolute molar mass determination are reviewed, which will be of increased interest in the future since suitable calibration substances for casein polymers are scarce.
Bacterial cellulose–TiO2 nanocomposites promote healing and tissue regeneration in burn mice model

The development of novel cutaneous wound treatments particularly for burns is of paramount importance due to complex pathophysiology, prevalent infection and clinical complexities associated with burn care. The main focus of the current study was to investigate the in vivo burn wound healing potential of bacterial cellulose (BC) and titanium dioxide (TiO2) nanocomposites (BC–TiO2). The physicochemical characterization of BC–TiO2 was carried out using FE-SEM, XRD and FT-IR. The antimicrobial activity of the nanocomposite was tested against Escherichia coli and Staphylococcus aureus through agar disc diffusion protocol. The in vivo wound healing efficacy was evaluated in burn wound model through wound area measurement, percent contraction and histopathology. The characterization results confirmed the successful incorporation of TiO2 nanoparticles into BC. The nanocomposites exhibited 81 ± 0.4% and 83 ± 0% inhibition against E. coli and S. aureus, respectively. The composite bandage showed good healing pattern with 71 ± 2.41% wound contraction. Histopathological evidence like the formation of healthy granulation tissue and the re-epithelization indicated the healing progression in the composite treated group. In comparison, the BC treated group has partial epithelization and signs of inflammation. These results proved that the composite dressing possesses an excellent healing potential with faster re-epithelization rate and accelerated wound contraction ability and thus could be a candidate for the development of cutaneous wound care products to address the limitations of the conventional wound dressing for burns.
Design and Preparation of a Quantum Spin Liquid Candidate κ-(ET)2Ag2(CN)3 Having a Nearby Superconductivity

Similar to the first quantum spin liquid (QSL) candidate, κ-(ET)2Cu2(CN)3 (1), newly prepared κ-(ET)2Ag2(CN)3 (2) is a dimer Mott insulator with a QSL ground state at ambient pressure and exhibits metallic and superconducting states next to the QSL state under pressure, where ET is bis(ethylenedithio)tetrathiafulvalene. The packing of the ET dimer, which corresponds to a single spin site (S = 1/2), in 2 is similar to that in 1. Salt 2 afforded a two-dimensional equilateral triangular spin lattice having strong geometrical spin frustration (t′/t = 0.967) similar to 1 (t′/t = 1.09), where t and t′ are the interdimer transfer interactions. The geometric relationship between the spin site and the opening in the anion layer in 2 is considerably different from that in 1, resulting in more dispersed packing of ET dimers, narrower bandwidth W, and larger on-site Coulomb repulsion energy U for 2 than 1. As a consequence, 2 has a higher electron correlation U/W, more robust QSL state for wider pressure range and is.
Property prediction and pharmacokinetic evaluation of mixed stoichiometry cocrystals of zafirlukast, a drug delivery case study

Cocrystals have been identified as a method for ensuring the delivery of poorly soluble drugs. Development of cocrystal phases presents many challenges, with the in vivo drug delivery benefits difficult to predict robustly. Additional to this, many of the benefits seen in the literature do not use formulation strategies which are representative of the clinical dosage form. Zafirlukast has been shown to possess poor development properties. It is poorly soluble and difficult to manufacture. Here we present a case study highlighting the benefits of cocrystals in this context, outlining the discovery, formulation and improved pharmacokinetics of mixed stoichiometry cocrystals of zafirlukast. This case study outlines methods, which could be broadly applied to other drug molecules, for determination of the properties of cocrystals through a suite of in vitro experiments that display a predictive pathway from physical form discovery to enhanced in vivo activity in animal models.
Sewage sludge assessment on growth of Acacia mangium seedlings by principal components analysis and orthogonal contrasts

ABSTRACT This experiment aimed to compare combinations of sewage sludge-based substrates on the growth of Acacia mangium seedlings by principal component analysis (PCA) and orthogonal contrasts (OC). It was conducted in structures of a forest nursery, localized in Southeast of Brazil, in 280 cm3 tubes constituted by 14 treatments and 5 replicates of four plants. When the seedlings reached 100 days after sowing, the treatments containing sewage sludge associated with vermiculite were those that stood out for the growth of A. mangium seedlings, showing the highest averages for the biometric features. The addition of coconut fiber and coffee straw did not produce good growth as well as the evaluated commercial substrate. It can be stated that the use of principal components and OC were efficient in evaluating the best substrate added to the sewage sludge having a limitation in identifying the best ratio between constituents of the substrate.
KENORMALAN BARU DAN PERUBAHAN SOSIAL DALAM PERSPEKTIF SOSILOGI

AbstractSociologically, the Covid-19 pandemic has caused unplanned social changes in the sense that social changes have occurred sporadically and the community does not want them to exist. The result of the people's unpreparedness in facing this pandemic has in turn led to social disorganization in all aspects of people's lives. The impact of the Covid-19 pandemic has forced the community to be adaptive to the various forms of social change it causes. The various existing problems have presented a social transformation urge in society, in fact, it was not impossible that civilization and humanitarian order would experience a shift in a direction and form that is far different from the previous conditions.Socio-logical construction in the four perceptions of society illustrated the dynamics of public response to various government policies related to the Covid-19 pandemic. We also understood this perception at the level of awareness, discipline, and social behavior during the pandemic and currently in Indonesia there were still additional new clusters for the spread of Covid-19, both area and activity- based.Keywords: Covid 19, Social change, community, perception, societyAbstrakSecara sosiologis, pandemi Covid-19 telah menyebabkan perubahan sosial yang tidak direncanakan dalam artian, perubahan sosial yang terjadi secara sporadis dan tidak dikehendaki kehadirannya oleh masyarakat. Akibat dari ketidaksiapan masyarakat dalam menghadapi pandemi ini pada gilirannya telah menyebabkan disorganisasi sosial di segala aspek kehidupan masyarakat.Dampak pandemi Covid-19 telah memaksa komunitas masyarakat harus adaptif terhadap berbagai bentuk perubahan sosial yang diakibatkannya. Berbagai ragam persoalan yang ada telah menghadirkan desakan transformasi sosial di masyarakat, bahkan, bukan tidak mungkin peradaban dan tatanan kemanusiaan akan mengalami pergeseran ke arah dan bentuk yang jauh berbeda dari kondisi sebelumnya. Konstruksi sosilogis dalam empat persepsi masyarakat menggambarkan dinamika respon masyarakat pada berbagai kebijakan pemerintah terkait pandemi Covid-19. Persepsi ini juga dapat kita pahami pada level kesadaran, kedisiplinan, danperilaku sosial di masa pandemic dan saat ini di Indonesia masih terus ada penambahan kluster baru penyebaran Covid-19, baik berbasis wilayah maupun aktivitas.Kata Kunci : Covid 19, Perubahan sosial, komunitas, persepsi, masyarakat
EFFECT OF ERBIUM-CALCIUM MANGANITE DOPING ON MICROSTRUCTURE AND ELECTRICAL PROPERTIES OF ZINC OXIDE BASED VARISTOR CERAMICS

In this research, (80-x) mol% zinc oxide with 20 mol% CaMnO 3 as the additive and (x) mol% erbium oxide Er 2 O 3 as the doping material where x = 0.5, 1.0 and 1.5. Aims of this work are to elucidate the effects of doping material on microstructure ZnO and nonlinear characteristics of ZnO based varistor ceramics. A compound comprising ZnO-CaMnO 3 -Er 2 O 3 underwent pre-sintering at 500 °C for 4 hours and sintering process at temperature of 1100 °C, 1200 °C and 1300 °C with the soaking time of 1.5 hours and 4.5 hours. X-ray diffraction patterns confirmed the presence of CaMnO 3 spinal and additional phases containing Er in the synthesized compounds. The disappeared of hydroxyl and carbonyl functional group was observed at 3600-3650 cm-1, 1421 cm-1 and 875 cm-1 respectively by Fourier Transform Infrared spectroscopy to indicate the starting formation oxide metal upon calcinations.
Influence of microwave pretreatment on the flavor attributes and oxidative stability of cold-pressed rapeseed oil

ABSTRACT This study investigated the effect of microwave (MW) pretreatment on oil yield and the microstructure of rapeseeds, and examined the variations in oxidative stability, tocopherol content and flavor attributes of rapeseed oils extracted by cold pressing or solvent-based methods. Rapeseed moisture content was adjusted to 15% and the seeds were subjected to MW treatment at 200, 400, and 600 W. Compared to untreated samples with the same moisture content, MW pretreatment significantly (p < 0.05) increased the oil yield (by 9–23%), and total tocopherol contents (by 17–23%). Additionally, the oxidative stability of oils extracted from MW-pretreated rapeseeds was significantly (p < 0.05) improved. The analyses of headspace solid-phase microextraction gas chromatography mass spectrometry showed that the relative amount of of pungent compound 4-isothiocyanato-1-butene reduced by 74–95%, whereas that of the non-pungent compound methallyl cyanide increased by 95% in the oils extracted from MW-pretreated rapeseeds. Heterocyclic compounds such as furans and pyrazines appeared in the oils after MW pretreatment and created a special roasted flavor, suggesting that MW pretreatment had a positive effect on the flavor of rapeseed oils.
Investigation of Factors in Triplet-Triplet Annihilation Upconversion

ii Acknowledgements . v List of Figures . ix List of Equations . xvi List of Acronyms: . xvii Chapter 1: Introduction . 1 1.1 Background . 1 1.2 The Triplet-Triplet Annihilation Upconversion (TTA-UC) Process. 2 1.3 Requirements for TTA-UC . 3 1.4 Electronic Energy transfer . 4 1.4. 1 Oxygen Effect on Triplet-Triplet Annihilation Upconversion . 4 1.5 Applications of Triplet-Triplet Annihilation Upconversion . 6 1.6 Research Objectives . 7 Chapter 2: TTA-UC in Dual-acceptor/Single-sensitizer Systems in Different Solution Viscosities. 9 2.1 Abstract . 9 2.2 Introduction . 9 2.3 Experimental . 10 2.3. 1 Materials and Instruments . 10 2.3. 2 Experimental Methods . 12 2.4 Results and Discussion . 12
A Comparative Study of the Therapeutic Effects of Copper Sulpate versus Common Salt (Sodium Chloride) in the Treatment of Infantile Umbilical Granuloma

Background: The most prevalent inflammatory abnormality in the neonates is an umbilical granuloma. It is a benign growth that forms from excessive granulation and failure of epithelialization at the umbilical base. It is not a congenital abnormality and does not present at birth. There is a range of treatment options from silver nitrate, copper sulfate to surgical excision, and cauterization. However, there is a dearth of evidence in the literature concerning the single best treatment option. This study serves that purpose in comparing the therapeutic effects of copper sulfate with the common salt. Methods: This comparative experimental study was conducted in Pakistan Institute of Medical Sciences (PIMS) for six months using WHO calculator, 60 patients from both genders between ages 2 weeks to 4 months having umbilical granuloma were enrolled. A written informed consent was taken from parents. By lottery method, patients were allocated into group A receiving treatment with copper sulfate; and group B receiving common salt. The outcome was recorded in terms of frequency of excellent response. Results: The mean age of the patients was 6.83±3.05 weeks. There were 32 (53.3%) males and 20 (46.7%) females. No statistically significant difference was observed in the mean age, duration of symptoms, and gender. Significant frequency of excellent response was observed in the copper sulfate group (100% vs. 53.3%; p<0.05) as compared to the common salt group. Conclusion: Copper sulfate is a better treatment option than common salt for the treatment of umbilical granuloma.
Chain Compounds Based on Paddle-wheel Copper(II) Carboxylate Bearing Four Nitroxide Radicals

Chain compounds of paddle-wheel Cu2-clusters of 3-carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy (Hcaproxy) and 4-carboxy-2,2,6,6-tetramethylpiperidinyloxy (Hcatempo) and N,N’-bidentate ligands (L = 4,4′-bipyridine (4,4′-bpy), 1,2-bis(4-pyridyl)ethane (bpe), trans-1,2-bis(4-pyridyl)ethylene (bpel), 4,4′-dipyridyl disulfide (pds), 1,4-diazabicyclo[2.2. 2]octane (dabco), and pyrazine (pyz)), [Cu2(caproxy)4(L)]n, and [Cu2(catempo)4(L)]n, were synthesized and characterized by elemental analysis, infrared and UV-vis spectra and temperature dependence of magnetic susceptibilities (4.5–300 K). The crystal structures of [Cu2(caproxy)4(pds)]n, [Cu2(catempo)4(4,4′-bpy)]n, and [Cu2(catempo)4(bpe)]n revealed zigzag or linear chains consisting of alternate arrangement of the dinuclear cluster bearing four nitroxide radicals and N,N’-bidentate ligand. Temperature dependence of magnetic susceptibilities showed a considerable antiferromagnetic interaction between the two copper(II) ions within the dinuclear cluster, and weak antiferromagnetic interaction between the dinuclear clusters and/or the radical and dinuclear cluster.
Studies of Arctic Middle Atmosphere Chemistry using Infrared Absorption Spectroscopy

The objective of this Ph.D. project is to investigate Arctic middle atmosphere chemistry using solar infrared absorption spectroscopy. These measurements were made at the Polar Environment Atmospheric Research Laboratory (PEARL) at Eureka, Nunavut, which is operated by the Canadian Network for the Detection of Atmospheric Change (CANDAC). This research is part of the CANDAC/PEARL Arctic Middle Atmosphere Chemistry theme and aims to improve our understanding of the processes controlling the stratospheric ozone budget using measurements of the concentrations of stratospheric constituents. The instrument, a Bruker IFS 125HR Fourier transform infrared (FTIR) spectrometer, has been specifically designed for high-resolution measurements over a broad spectral range and has been used to measure reactive species, source gases, reservoirs, and dynamical tracers at PEARL
Superconductivity and competing ordered states in layered organic metals

This work presents experimental studies of two families of organic metals, in which superconductivity occurs in the vicinity to other ordered electronic states. In the charge-density wave superconductors α-(BEDT-TTF)2MHg(SCN)4, where M = K, Tl, the critical field anisotropy of the superconducting state was investigated, using pressure as a parameter controlling the ground state. In the antiferromagnetic superconductors κ-(BETS)2FeX4, where X = Cl, Br, the interplay of localised magnetic and conducting subsystems was examined by studies of magnetoresistive effects.
Leadership, personality and performance

The purpose of this article is to determine if leader-subordinate congruence influences leaders’ and subordinates’ experience of burnout and the subordinate’s satisfaction with the leader’s work performance. Surprisingly, the results supported neither attraction selection attrition nor person–person fit theory. However, according to the results, the greater the difference between the leader’s and subordinate’s personalities, the more satisfied the subordinate was with the leader’s performance. The results indicate that this matter should be considered in the course of recruitment to ensure organizations do not become too homogenous. The results also appear to offer some weak support to the suggestion that the grounds for effective performance and job satisfaction could differ because the leader–subordinate fit did not correlate significantly to either the leader’s or the subordinate’s experience of burnout.