Miracle-dz/UniFAR-FTUs huggingface dataset:
Regioselective Benzoylation of 4,6-O-Benzylidene Acetals of Glycopyranosides in the Presence of Transition Metals

GRAPHICAL ABSTRACT Benzoylation of 4,6-O-benzylidene acetals of glycopyranosides by benzoic anhydride in acetonitrile in the presence of Cu(CF3COO)2 as a promoter gave 2-benzoates for α-D-glucopyranosides and α-D-mannopyranosides and 3-benzoates for β-D-galactopyranosides in good yields with high regioselectivity. Benzoylation of 4,6-O-benzylidene acetals of glycopyranosides of D-galactose and D-mannose by benzoyl chloride in the presence of MoO2(acac)2 as a catalyst in all studied cases led to regioselective 3-О-substitution.
Equation of State and Crystal Structure of NaAlSiO 4 with Calcium-Ferrite Type Structure in the Conditions of the Lower Mantle

The full profile refinement of the structure of the calcium-ferrite type NaAlSiO 4 was carried out at pressures up to 40 GPa. This high-pressure modification of NaAlSiO 4 is known to be stable at least to 75 GPa and 2450 K that corresponds to a middle part of the Earth's lower mantle. A zero-pressure unit cell volume V 0 =36.58(2) cm 3 /mol was obtained from a sample synthesized from natural albite. In situ pressure-volume data (with found V 0 ) was fitted to the Birch-Murnaghan equation of state, and it yielded the bulk modulus equal to 220(1) GPa and its pressure derivative equal to 4.1(1).
Polyazomethine with vinylene and phenantridine moieties in the main chain: Synthesis, characterization, opto(electrical) properties and theoretical calculations

The opto(electrical) properties and theoretical calculations of polyazomethine with vinylene and phenantridine moieties in the main chain were investigated in the present study. 2,5-Bis(hexyloxy)-1,4-bis[(2,5-bis(hexyloxy)-4-formyl-phenylenevinylene]benzene was polymerized in solution with 3,8-diamino-6-phenylphenanthridine (PAZ-PV-Ph). The temperatures of 5% weight loss (T 5%) of the polyazomethine was observed at 356 °C in nitrogen. Electrochemical properties of thin film of the polymer were studied by differential pulse voltammetry. The HOMO level of the PAZ-PV-Ph was at −4.97 eV. The energy band gap (E g) was detected of approximately ∼1.9 eV. Energy band gap (E gopt) was additionally calculated from absorption spectrum and absorption coefficient α. The absorption UV-vis spectra of polyazomethine recorded in solution showed a blue shift in comparison with the solid state. HOMO-LUMO levels and E g were additionally calculated theoretically by density functional theory and molecular simulations of PAZ-PV-Ph are presented. Current density–voltage (J–U) measurements were performed on ITO/PAZ-PV-Ph/Al, ITO/TiO2/PAZ-PV-Ph/Al and ITO/PEDOT/PAZ-PV-Ph:TiO2/Al devices in the dark and during irradiation with light (under illumination of 1000 W m−2). The polymer was tested using AFM technique and roughness (R a, R ms) along with skew and kurtosis are presented.
Exploring the Semiconducting Josephson Junction of Nanowire-based Superconducting Qubits

This thesis investigates superconducting qubits based on proximitized InAs/Al nanowires. These qubits consist of semiconducting Josephson junctions, and present a gate tunable derivative of the transmon qubit. Beyond the gateable nature, this new qubit (the gatemon) exhibits fundamentally different characteristics depending on operating regime, which is the main focus of this thesis. First, a systematic investigation of gatemon anharmonicity is presented. Here, we observe a deviation from the traditional transmon result. To explain this, we derive a simple model yielding information about the transmission properties of the semiconducting Josephson junction. In conclusion we find that the junction is dominated by 1–3 conduction channels with at least one channel reaching transmission probabilities greater than 0.9 certain gate voltages, in clear contrast to the sinusoidal energy phase relations that describe conventional transmon junctions. Next, we present a new gatemon design, where a semiconducting region is operated as a field-effect-transistor to allow transport through the gatemon device without introducing a new dominant relaxation source. In addition, we demonstrate clear correlation between transport and transitional circuit quantum electrodynamics qubit measurements. In this geometry, for certain gate voltage, we observe resonant features in the qubit spectrum, both in transport and qubit measurements. Across the resonances, we carefully map the charge dispersion, which, at resonance, shows clear suppression orders of magnitude beyond what is traditionally expected. We explain this by an almost perfectly transmitting conduction channel, which renormalizes the charge of the superconducting island. This is in quantitative agreement with a developed resonant tunneling model, where the large transmission is achieved by a resonant level with nearly symmetric tunnel barriers. Finally, we demonstrate compatibility with operation in large magnetic fields and the destructive Little-Parks regime. As we enter the first lobe of the oscillating qubit spectrum, we observe the emergence of additional coherent energy transitions. We explain these as transitions between Andreev states, which experience a path-dependent phase difference across the Josephson junction due to the phase twists associated with the Little-Parks effect. These observations are in qualitative agreement with numerical junction model.
Comparative study of functional outcome of primary closed intramedullary nailing in compound vs closed tibial diaphyseal fractures

Background: Open fractures of the tibia usually indicate a high-energy injury to soft tissue and bone with resultant difficulties of infection and poor bone healing. Material & Methods: 20 cases of open and closed tibia diaphyseal fractures were followed for period of one year from July 2019 to June 2020 at Department of Orthopaedics, Rajah Muthiah Medical College, Annamalai University. Result: The Mean time of union was 14 weeks 4 days for compound fractures overall, for grade I cases – 13 weeks 3 days, for grade II cases – 15 weeks, and for grade IIIA cases – 17 weeks 1 day, for closed cases – 12 weeks 2 days. Based on Johner-Wruhs criteria 90% and 10 % of grade I cases had excellent and good outcome. 80% and 20 % of grade II cases had excellent and good outcome. 75% and 25% of grade IIIA patient had excellent and good outcome, 90% and 10% of closed cases had excellent and good outcome respectively. Complications encountered was 2 patients in open fracture group had anterior knee pain, 1 patient (5%) had superficial infection, 1 patient went for non-union, and 1 patient had screw breakage.Conclusion: This study demonstrates that grade 1, 2 and 3A open tibial shaft fractures can be treated with primary debridement and interlocking nail when compared with closed tibial diaphyseal fracture, There was no statistically significant difference (pvalue:0.492) in union rate, infection rate (5%) and functional outcome (p value 0.018) between the two groups.
Computational Analysis of Biomolecular Data for Medical Applications from Bulk to Single-cell

Computational Analysis of Biomolecular Data for Medical Applications from Bulk to Single-cell Kaiyi Zhu High-throughput technologies have continuously driven the generation of different biomolecular data, including the genomics, epigenomics, transcriptomics, and other omics data in the last two decades. The developments and advances have revolutionized medical research. In this dissertation, a collection of computational analyses and tools, based on different types of biomolecular data with particular applications on human diseases are presented including 1) a cascade ensemble model based on the Dirichlet process mixture model for reconstructing tumor subclonality from tumor DNA sequencing data; 2) a meta-analysis of gene expression and DNA methylation data from prefrontal cortex samples of patients with neuropsychiatric disorders indicating a stress-related epigenetic mechanism; 3) 2DImpute, an imputation algorithm that is designed to alleviate the sparsity problem in single-cell RNA-sequencing data; and 4) a pan-cancer transformation from adipose-derived stromal cells to metastasis-associated fibroblasts revealed by single-cell analysis.
Partially Filled Half-Mode Substrate Integrated Waveguide Leaky-Wave Antenna for 24 GHz Automotive Radar

A novel highly efficient leaky-wave antenna (LWA), based on a periodic set of holes created in a half-mode substrate integrated waveguide (SIW), is conceived for automotive radar. The computer-aided design of this partially filled SIW (PFSIW) LWA is carried out using a full-wave electromagnetic simulator. As a proof-of-concept, an LWA prototype having a plate size of 15 × 126 mm<inline-formula><tex-math notation="LaTeX">$^2$</tex-math></inline-formula> is fabricated through a standard low-cost printed circuit board (PCB) manufacturing process. Our manufactured prototype yields more than 25% impedance bandwidth, targeting the 24 GHz automotive short-range-radar band. Moreover, the measured peak gain and total antenna efficiency reach up to 15.5 dBi and 85% at 24 GHz. Furthermore, the main radiating direction steers continuously from 38<inline-formula><tex-math notation="LaTeX">$^\circ$</tex-math></inline-formula> to 58<inline-formula><tex-math notation="LaTeX">$^\circ$</tex-math></inline-formula> with an average half-power beamwidth of 12<inline-formula><tex-math notation="LaTeX">$^\circ$</tex-math></inline-formula> when the operating frequency changes from 22 to 26 GHz. In comparison, a 160 mm long dielectric-filled SIW (DFSIW) LWA yields a measured scanning range of 49<inline-formula><tex-math notation="LaTeX">$^\circ$</tex-math></inline-formula> and a total antenna efficiency of 43.8%, whereas an 80.3 mm long air-filled SIW (AFSIW) LWA exhibits a measured scanning range of 9<inline-formula><tex-math notation="LaTeX">$^\circ$</tex-math></inline-formula> and a total antenna efficiency of 80%. Therefore, PFSIW technology provides an optimal tradeoff between DFSIW and AFSIW for the envisaged short-range automotive radar application.
The Influence of Different Molten Salt Systems on Zinc and Bismuth Tungstate Formation

The influence of different molten salt environments on formation of tungstates has been studied. Well crystalline and pure Bi2WO6 have been prepared in potassium nitrite KNO2 (350°C), potassium chloride KCl (800°C) and mixture of potassium-sodium sulphates K2SO4-Na2SO4 (800°C), but ZnWO4 have been successfully synthesized in sodium nitrate NaNO3 (350°C), mixture of sodium-potassium chlorides NaCl-KCl (680°C), potassium chloride KCl (780°C) and mixture of potassium-sodium sulphates K2SO4-Na2SO4 (850°C). The higher surface area and photocatalytic activity show powders prepared at lower temperature.
The Effect of in ovo Supplementation of Nano Zinc Oxide Particles on Hatchability and Post-Hatch Immune System of Broiler Chicken

The aim of this study was to evaluate the effects of in ovo injection of zinc oxide nanoparticles on the hatchability, production performance and immune responses of broilers. A total of 192 fertile eggs obtained from a Ross 308 broiler breeder flock were used. The eggs were divided into 4 experimental groups including a positive control group with normal saline injection, and injection of 50, 75 and 100 ppm nano-ZnO on the first day of incubation period in the air cell and were placed in the incubator. The hatched chicks were allocated to a completely randomized design with 4 treatments and 4 replicates for a 42-day experiment. In ovo injection of nano-ZnO increased hatchability of eggs compared to the control group (p 0.05). The results of antibody titer against the influenza virus at 10 days of age did not differ between the experimental treatments (P>0.05). The heterophil, lymphocytes, monocytes and hematocrit number in the blood of broiler chickens at 10 days of age did not show any significant difference (P>0.05). The results of the present study suggest that in ovo injection of nano ZnO particles had positive effects on early embryo mortality rate, total white blood cells, however the performance traits of the hatched chicks were not significantly affected through in ovo injection of nano ZnO particles.
Dry matter production and uptake of zinc and phosphorus in two oilseed rape genotypes under differential rates of zinc and phosphorus supply

Abstract The effects of varied supply of zinc (Zn) (0, 0.1, 0.2, 1.0, and 10 mg Zn kg‐1 soil) and phosphorus (P) (low P: 50 mg P kg‐1 soil and high P: 150 mg P kg‐1 soil) on vegetative growth, plant tissue Zn and P concentration and their uptake were studied in six weeks old plants of two oilseed rape (Brassica napus) genotypes (92–13, a traditional genotype from China high in both erucic acid and glucosinolate, and Xinza‐2, a hybrid from China low in erucic acid and glucosinolate) grown in Laffer sand (low in Zn and P) under controlled environmental conditions. Two oilseed rape genotypes had a differential response to Zn application. Xinxa 2 responded significantly for shoot and root dry matter only up to 0.1 mg applied Zn kg‐1 soil, while 92–13 responded up to 0.2 mg Zn kg‐1 soil. Zinc at 10 mg kg‐1 soil slightly reduced shoot dry matter and drastically reduced root dry matter of both the genotypes. Shoot and root dry matter production at 0, 0.1, 0.2, and 1 mg Zn kg‐1 soil were significantly greater und.
A General and Accurate Iron Loss Calculation Method Considering Harmonics Based on Loss Surface Hysteresis Model and Finite-Element Method

In order to predict the performance of designed electric machines, and also based on which the high efficiency of the drive systems can be obtained, the accurate calculation of the iron loss is necessary. Taking modeling accuracy versus modeling complexity into account, this article proposes a general and accurate iron loss calculation method considering harmonics based on the loss surface (LS) hysteresis model and finite-element method (FEM). Compared with the previous triangular wave excitation, this article uses the data under sinusoidal wave excitation to establish the LS model, which is more convenient for engineering application. A specimen is tested for different flux densities with harmonics, the extensive results verify the modeling method. Due to a powerful hysteresis model, the iron loss calculation can be realized by the direct integration of hysteresis loops. A separated iron loss calculation package is developed, and it is combined with the commercial finite-element software to compute the iron loss distribution. The method that combines the LS model and FEM is proved feasible by comparing the calculated iron loss with the measured one for the Epstein frame.
Electrolytic Conductivity of Semiarid Soils (Southeastern Spain) in Relation to Ion Composition

Salt-affected soils are frequent in arid and semiarid regions, where the resulting ill-effects on plant growth and the difficulties for proper soil management make knowledge of the total soil salt content essential. In this study, the relation between the electrolytic conductivity (EC) soil saturation and the 1:1 soil:solution extracts, the salt content, and various saline parameters were analyzed. Ionic characterization data referring to agricultural soils from a semiarid zone (Murcia, southeastern Spain) were used to study the relationship between EC and ion composition. Sixty samples per depth (0–30 cm, 30–60 cm and 60–90 cm) were taken in two years. EC, and Na+, K+, Ca2+, Mg2+, Cl−, NO3 − and SO4 2−concentrations were measured in both extracts. Total dissolved salts (TDS), sodium adsorption ratio (SAR), and total anions and cations were calculated from the relevant data to determine any correspondences among them using Spearman rank correlations. The mean EC values ranged from 0.56 to 0.93 S m−1 and t.
Optimisation of the phenolic content and antioxidant activity of apple pomace aqueous extracts

Response surface methodology (RSM) was used to optimise the parameters for phenolic extraction from apple pomace using water, extraction time, extraction temperature and pomace to water ratio. The responses from these parameters were evaluated by measuring the total phenolic content and antioxidant activity of extracts. The optimum extraction parameters found in this study were 30 min extraction time, 85°C extraction temperature and 0.05 pomace to water ratio. A verification experiment of these extraction parameters was performed, along with three other corroborative sets of parameters. There was no significant difference between the predicted and actual values, confirming that the predictions using the models obtained through RSM were valid.
Public officials’ treatment of minority clients

The aim of this paper is to investigate the occurrence of discrimination based on ethnicity in public officials’ treatment of welfare clients. Previous research has confirmed the existence of ethnic discrimination, but we argue that further investigations are needed. Field experiments in the form of correspondence tests, as we use here, are in many ways appropriate for discovering discrimination. However, an ethnic minority background is often perceived to be associated with low socioeconomic status (SES), which most previous field experiments have not paid attention to. Hence, ethnic discrimination may have been confused with socioeconomic discrimination. Our research design provides possibilities to take this problem into consideration. Furthermore, the research design allows investigation of whether ethnic discrimination occurs primarily among individuals with certain SES levels, which is currently an open question in the literature. Discrimination is assessed through a field experiment in which one administrator at each Swedish municipality is randomly contacted by an individual with an Arabic-sounding or a Swedish-sounding name who is interested in moving to the municipality. We find no statistically significant signs of ethnic discrimination. Admittedly, this may be due to the limited sample size and not only to our efforts of separating ethnic and socioeconomic dimensions. Furthermore, no signs of ethnic discrimination occurring at any particular SES level are discovered.
Brominated Organic Micropollutants—Igniting the Flame Retardant Issue

There is increasing concern over the toxicity and environmental distribution of a number of classes of brominated compounds such as polybrominated diphenyl ethers (PBDEs), polybrominated biphenyls (PBBs) used as flame retardants as well as brominated and mixed bromochloro dibenzo-p-dioxins and dibenzofurans (PBDD/Fs and PBrClDD/Fs). Observed ubiquity and bio-accumulative characteristics coupled with dioxin-like toxicity have led to some of these compounds being classified as POPs. Unlike chlorinated dioxins the levels of brominated compounds in the environment shows an increasing trend. The main pathway to observed human exposure is probably through food. The European Commission has reviewed the use of some of these compounds and has recommended a ban on some commercial mixtures. There is corresponding legislation in individual countries against production and usage. This article reviews the ecological and environmental impact of the use of PBDEs, PBBs and other brominated flame retardants. Attention is given to the properties of individual PBDE and PBB congeners as well as the more toxic PBDD/Fs and PBrClDD/Fs. Occurrence, source, fate, toxicology, exposure, analysis and future work required is assessed for each class of brominated organic micropollutant (BOM) outlined.
Late Paleozoic Evolution of the Anadarko Basin: Implications for Laurentian Tectonics and the Assembly of Pangea

Interplay between marginal and intraplate late Paleozoic tectonics in southeastern Laurentia is a subject of debate. In southern Laurentia, intraplate deformation has been attributed to combinations of compressive forces from orogenic belts in the west, southwest, and southeast. While left‐lateral transpression is generally an accepted mechanism for formation of uplifts in the Southern Oklahoma Aulacogen (SOA), to date no studies have explained the driving mechanisms of these kinematics. Here, we analyze the Southern Oklahoma Transpressional System (SOTS), a ∼500 km long ∼50 km wide fault zone that extends from the southeastern Laurentian margin into the plate interior along Cambrian lithospheric weaknesses inherited from the SOA. We use a compilation of published studies to present detailed, time‐integrated sedimentary thickness maps of SOTS‐related basins. We combine these maps with a new interpretation of three 2D seismic reflection lines to constrain timing and kinematics of all major late Paleozoic SOTS fault zones. We show that the SOTS kinematics evolved from contraction to left‐lateral strike‐slip during Mississippian‐Pennsylvanian time. Tectonic activity and fault kinematics in the SOTS are explained by a model in which a remnant ocean basin closed diachronously from northeast to southwest along the Southern Appalachian and Ouachita‐Marathon orogens. Left‐lateral transpression during diachronous closure of the Rheic oceanic basin along the Ouachita‐Marathon margin is related to rotation of the stress field due to changes in slab‐pull and eastward drift of Laurentia toward Gondwana. We speculate that the SOTS acted in part as a STEP (subduction‐transfer edge propagator) fault that followed the pre‐existing SOA.
Apparent cation‐exchange equilibria in podzolic forest soils

The Gaines–Thomas selectivity coefficient, K, was used to express the relation between the cations in solution and the cations in exchange sites in podzolic forest soils. Soil solution was obtained by centrifuging a fresh bulked soil sample. Exchangeable cations HX, AlX, CaX, MgX and KX and effective cation‐exchange capacity, CECe, were determined with 0.1 m BaCl2. Apparent values of K indicated a preference of Ca2+ over Mg2+ and over Al3+ in O, A and B horizons (log KAl–Ca < 0 and log KMg–Ca < 0), whereas log KK–Ca and log KH–Ca exceeded zero. The horizons were similar with respect to log KH–Ca, and the differences in log KMg–Ca were small. Log KK–Ca and log KAl–Ca increased in the horizons in the order O < A < B. Log KAl–Ca was not significantly correlated with the fraction AlX/CECe. Log KMg–Ca was positively correlated with the fractions HX/CECe and AlX/CECe, and negatively correlated with log (CaX/MgX). The selectivity coefficient of binary cation exchange seemed to be applicable to in situ soil solutions. However, the fraction of each cation on exchange sites should be based on the CECe rather than on the sum of the two cations. The latter, also, seemed to be acceptable in cases of exchangeable cations with a large relative content in soil, e.g. in Al3+–Ca2+ exchange in A and B horizons, and in H+–Ca2+ exchange in O and A horizons.