Miracle-dz/UniFAR-FTUs huggingface dataset:
A Systematic Study of Electrolyte Additives in Li[Ni1/3Mn1/3Co1/3]O2 (NMC)/Graphite Pouch Cells

The effects of electrolyte additives singly or in combination on Li[Ni1/3Mn1/3Co1/3]O2 (NMC)/graphite pouch cells have been systematically investigated and compared using the ultra high precision charger (UHPC) at Dalhousie University, electrochemical impedance spectroscopy (EIS), an automated storage system, gas evolution measurements and selected long-term cycling experiments. The results of testing Li[Ni1/3Mn1/3Co1/3]O2 (NMC)/graphite pouch cells with different electrolyte additives singly or in combination were measured and the results for over 110 additive sets are compared. A "Figure of Merit" approach is used to rank the effectiveness of the additives and their combinations. The combination of vinylene carbonate (VC) and/or prop-1-ene-1,3 sultone (PES), a sulfur containing additive, such as methylene methane disulfonate (MMDS), as well as either tris(-trimethly-silyl)-phosphate (TTSP) and/or tris(-trimethyl-silyl)-phosphite (TTSPi) as additives in the electrolyte can give cells with extremely high coulombic efficiency, excellent storage properties, low impedance and superior long term cycling at 55°C. Additive mixtures such as 2% PES + 1% MMDS + 1% TTSPi are especially excellent in all respects. It is hoped that this comprehensive report sets a benchmark for future studies by others and can be used as a guide and reference for the comparison of other electrolyte additives singly or in combination.
Three-Component, One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles Catalyzed by TiCl4-SiO2 Under Conventional Heating Conditions or Microwave Irradiation

Abstract In this study, silica-supported titanium tetrachloride was prepared and used as a novel catalyst for rapid and efficient synthesis of 2,4,5-trisubstituted imidazoles by a three-component, one-pot condensation of 1,2-diketones and aryl aldehydes in excellent yield under solvent-free conditions using conventional heating or microwave irradiation.
Organosilicon monomers for plasma‐developed x‐ray resists

A variety of silicon‐containing monomers for plasma‐developed resists formulated with chlorine‐containing host polymers have been prepared and evaluated for use with x‐ray lithography. The major design problems encountered were monomer incompatibility, high volatility, and low reactivity. One class of monomers, the bis‐acryloxy‐ and and methacryloxyalkyltetramethyldisiloxanes, satisfies all requirements. A formulation with optimum properties contains 90 parts poly(2,3‐dichloro‐1‐propyl acrylate) (DCPA) and 10 parts bis‐acryloxybutyltetramethyldisiloxane (BABTDS). It is very sensitive (30–60 s exposure time), has high resolution (better than 0.5 μm), and can be developed by reactive ion etching which provides extremely uniform developed patterns.
Perspectives for the direct firing of biomass as a supplementary fuel in combined cycle power plants

An analysis of the performance of a gas turbine–steam turbine combined cycle with supplementary firing has been carried out. Natural gas is fired in the main combustor of the cycle, whereas biomass fuel is considered as the supplementary fuel. Although, supplementary firing is found to reduce the overall cycle efficiency, the low cost of biomass and the CO2‐neutral attribute of its combustion reduce the specific fuel cost and specific CO2 emission. The effects of pressure and temperature ratios of the topping cycle and main steam conditions of the bottoming cycle on the performance parameters of the combined cycle have been studied at different degrees of supplementary firing. The topping cycle temperature ratio is found to be the most critical parameter and its low value gives substantial advantages in lowering the fuel cost and CO2 emission. Marginal advantages are also achieved at higher pressure ratio and better bottoming cycle main steam conditions. Copyright © 2008 John Wiley & Sons, Ltd.
Variance reduction for lattice walks grown with Markov chain sampling

A Markov chain procedure for growing self‐ and neighbor‐avoiding walks is described. By making the probabilities of all walks nearly equal, the variance in estimates of walk statistics is greatly reduced. A detailed analysis is given of the important example of next‐neighbor‐avoiding walks on the tetrahedral lattice: Such walks serve as a model for polymethylene chains. This case demonstrates that, in general, a similar variance reduction can be achieved at finite temperature for walks with conformationally dependent internal energy. The algorithm for constructing the sampling distributions for the steps of these finite temperature walks is summarized.
Untersuchungen zur Kristallisation von Rhodium(III)‐Oxoverbindungen unter Beteiligung der Gasphase – Der chemische Transport von Rh2O3 mit Chlor

In chemischen Transportexperimenten wandert Rh2O3,s unter Zugabe von Chlor im Temperaturbereich 900°C T1, Δ = 100°). Neben Rh2O3,s wird in fast allen Experimenten die Abscheidung von RhCl3,s beobachtet. Die Transportraten fur Rh2O3,s sowie die Sublimationsraten fur RhCl3,s steigen mit T kontinuierlich an. Thermodynamische Modellrechnungen geben die beobachteten Transportraten, die Zusammensetzung der Gleichgewichtsbodenkorper sowie ihre Abscheidungsreihenfolge (1. RhCl3,s; 2. Rh2O3,s) zutreffend wieder. Danach sind fur die Wanderung von RhCl3,s und Rh2O3,s im Temperaturgefalle zwei Gleichgewichte masgeblich: Die Bedeutung von RhCl2,g und RhCl4,g fur den chemischen Transport von Rh2O3,s wird ebenso diskutiert wie die mogliche Existenz von RhOCl2,g in der Gleichgewichtsgasphase. Vorhersagen zum Transportverhalten von ternaren Rhodium(III)-oxoverbindungen sind moglich. Investigations on the Crystallization of Rhodium(III) Oxo Compounds – Chemical Vapour Transport of Rh2O3 using Chlorine Rh2O3,s migrates in chemical transport experiments with chlorine as transport agent from the higher (T2) to the lower (T1) temperature of a gradient (ΔT = 100°) due to endothermal reactions (900°C < T ≤ 1050°C; T = 0,5 · (T2 + T1)). Under the conditions of transport experiments RhCl3,s is observed in most experiments as equilibrium solid besides the sesquioxide. The transport rates for Rh2O3,s and the sublimation rates for RhCl3,s grow with increasing temperature T. The composition of the equilibrium solids, the rates of migration and the sequence of deposition (1. RhCl3,s, 2. Rh2O3,s) is well reproduced by thermodynamic model calculations. As a result of this calculations the transport behaviour of the system Rh2O3,s/Cl2 is determined by the two equilibria The influence of RhCl2,g and RhCl4,g on the transport behaviour of Rh2O3,s as well as the possible occurence of RhOCl2,g in the equilibrium gas phase will be discussed. Predictions of the transport behaviour of ternary rhodium(III) oxo compounds will be made.
On the low speed longitudinal stability of hypersonic waveriders

The development of hypersonic civilian transport aircraft requires solutions to a number of challenging problems in the areas of aerothermodynamics, control, aeroelasticity, propulsion and many others encountered at high Mach number flight. The majority of research into hypersonic vehicle design has therefore rightly focused on solutions to these issues. The desire for good aerodynamic performance at high Mach numbers, most often defined by the lift to drag ratio, results in slender vehicle designs which minimise drag and take advantage of compression lift through attached shock waves along the leading edge. These so-called waverider designs show good promise for high aerodynamic efficiency and potential for long range transport applications. However a civilian transport aircraft that travels at hypersonic speeds requires satisfactory stability and handling qualities across the entire flight trajectory. The stability and handling of waverider shapes at the low speeds encountered at the take-off and landing phases of flight is not well studied. The stability of an aircraft is characterised by the aerodynamic stability derivatives. Only a few existing studies have looked at these low speed derivatives for waverider designs and no research has been found on the dynamic damping derivatives even though these are important to characterising the handling qualities of a vehicle. The work presented here covers the use of various high fidelity methods to extract these derivatives for a particular vehicle, the Hexafly-Int hypersonic glider. This vehicle has been chosen as it represents a mature example of a waverider vehicle that has been designed for flight testing at Mach 7.2. It is therefore typical of waverider designs optimised for high speed performance. The highly separated flowfield which slender vehicle designs exhibit at low speeds and high angles of attack requires the use of higher fidelity Computational Fluid Dynamics (CFD) simulations.
Home Ownership Motivation in Malaysia: A Youth Perspective

The government of Malaysia has implemented many housing policies and programs to increase the rate of home ownership among youths. However, this rate remains low as the motivation in having a home has decreased over the years, whilst renting became the youths’ alternative. Besides, a high frequency of job changing has influenced them in purchasing a house. Hence, to verify the gap, this research has performed to understand the relationship between perceived job alternatives and home ownership motivation among Malaysian youths. Local amenities investment, social capital investment, financial benefits, and residential stability are dimensions of home ownership used to study its relationship with perceived job alternatives. Whereas, job insecurity used as a mediating factor between perceived job alternatives and home ownership motivation. The research data collected through an online survey and 379 usable respondents were obtained. Results showed perceived job alternative does have a significant relationship with home ownership and its dimensions. There is also a partial mediating effect of perceived job insecurity on the relationship between perceived job alternatives and home ownership motivation. These findings will be useful for the government to understand the Malaysian youth’s motivation in purchasing a house with a job being an influence.
Predicting the Ophthalmic Surgical Backlog as a Result of the COVID-19 Pandemic: A population-based study and microsimulation model to inform surgical recovery plans

Background: Jurisdictions worldwide ramped down ophthalmic surgeries to mitigate the effects of coronavirus disease 2019 (COVID-19), creating a global surgical backlog. We sought to predict the long-term impact of COVID-19 on ophthalmology surgical care delivery. Methods: This is a population-based study and a microsimulation model for predicting future outcomes. Provincial administrative data from January 2019 to November 2020 was used to estimate the decline in surgical volumes during the COVID-19 pandemic. For the post-pandemic recovery phase, we estimated the resources required to clear the backlog of patients accumulated on the waitlist since the pandemic. Results: A total of 56,923 patients were on the waitlist in the province of Ontario awaiting non-emergency ophthalmic surgery as of March 15, 2020. The number of non-emergency surgeries performed in the province decreased by 45-98% between March to May 2020 compared to the same months in 2019. By 2 years and 3 years, the overall estimated number of patients awaiting surgery grew by 125% and 148%, respectively. The mean wait time for patients for all subspecialty surgeries increased to 198.49 days (SD 81.38) in March 2021 compared to 94.41 days (SD 97.42) in 2019. The provincial monthly additional resources required to clear the backlog by March 2023 was estimated to be 126% (3,538 additional surgeries). Discussion: The magnitude of the ophthalmic surgical backlog from COVID-19 has important implications for the recovery phase. The estimates from the surgical database and microsimulation modelling can be adapted to other jurisdictions to assist with recovery planning.
Systematic Errors Associated with the CPMG Pulse Sequence and Their Effect on Motional Analysis of Biomolecules

Abstract A theoretical approach to calculate the time evolution of magnetization during a CPMG pulse sequence of arbitrary parameter settings is developed and verified by experiment. The analysis reveals that off-resonance effects can cause systematic reductions in measured peak amplitudes that commonly lie in the range 5–25%, reaching 50% in unfavorable circumstances. These errors, which are finely dependent upon frequency offset and CPMG parameter settings, are subsequently transferred into erroneous T 2 values obtained by curve fitting, where they are reduced or amplified depending upon the magnitude of the relaxation time. Subsequent transfer to Lipari–Szabo model analysis can produce significant errors in derived motional parameters, with τ e internal correlation times being affected somewhat more than S 2 order parameters. A hazard of this off-resonance phenomenon is its oscillatory nature, so that strongly affected and unaffected signals can be found at various frequencies within a CPMG spectrum. Methods for the reduction of the systematic error are discussed. Relaxation studies on biomolecules, especially at high field strengths, should take account of potential off-resonance contributions.
Dissociation and ionization of the methane molecule by nonrelativistic electrons including the near threshold region

Several ionization and dissociation channels of electron interaction with the methane molecule are studied using the recently discovered robust scaling law [D. A. Erwin and J. A. Kunc, Phys. Rev. A 72, 052719 (2005)], other experimentally observed relationships between the ionization and dissociation channels, and the most recent information about the processes. The resulting cross sections for the channels are given in the form of analytical expressions valid at all nonrelativistic energies.
Automated Assessment of Image Quality in 2D Echocardiography Using Deep Learning

Echocardiography is the most used modality for assessing cardiac functions. The reliability of the echocardiographic measurements, however, depends on the quality of the images. Currently, the method of image quality assessment is a subjective process, where an echocardiography specialist visually inspects the images. An automated image quality assessment system is thus required. Here, we have reported on the feasibility of using deep learning for developing such automated quality scoring systems. A scoring system was proposed to include specific quality attributes for on-axis, contrast/gain and left ventricular (LV) foreshortening of the apical view. We prepared and used 1,039 echocardiographic patient datasets for model development and testing. Average accuracy of at least 86% was obtained with computation speed at 0.013ms per frame which indicated the feasibility for real-time deployment.
Evaluation of Immobilization Techniques for the Fabrication of Nanomaterial-Based Amperometric Glucose Biosensors

Eleven glucose biosensors were prepared by cross-linking, entrapment, and layer-by-layer assembly to investigate the influence of these immobilization methods on performance. The effects of separate nanozeolites combined with magnetic nanoparticles and multiwalled carbon nanotubes in the enzyme composition on the performance of glucose biosensors were compared. Cyclic voltammetric studies were carried out on the biosensors. Acrylonitrile copolymer/nanozeolite/carbon nanotube and acrylonitrile copolymer/nanozeolite/magnetic nanoparticle electrodes prepared by a cross-linking method showed the highest electroactivity. These results indicated that a synergistic effect occurred when multiwalled carbon nanotubes, magnetic nanoparticles, and nanozeolites were combined that greatly improved the electron transfer ability of the sensors. Amperometric measurements by the glucose oxidase electrodes were obtained that showed that the acrylonitrile copolymer/nanozeolite/carbon nanotube electrode was the most sensitive (10.959 microamperes per millimolar). The lowest detection limit for this biosensor was 0.02 millimolar glucose, with a linear dynamic range up to 3 millimolar. The response after thirty days was 81 percent of the initial current.
Superparamagnetic Liposomes for MRI Monitoring and External Magnetic Field‐Induced Selective Targeting of Malignant Brain Tumors

Magnetic‐fluid‐loadedliposomes (MFLs) of optimized magnetic responsiveness are newly worked out from the entrapment of superparamagnetic maghemite nanocrystals in submicronic PEG‐ylated rhodamine‐labelled phospholipid vesicles. This nanoplatform provides an efficient tool for the selective magnetic targeting of malignant tumors localized in brain and non‐invasive traceability by MRI through intravascular administration. As assessed by in vivo 7‐T MRI and ex vivo electron spin resonance, 4‐h exposure to 190‐T m–1 magnetic field gradient efficiently concentrates MFLs into human U87 glioblastoma implanted in the striatum of mice. The magnetoliposomes are then longer retained therein as checked by MRI monitoring over a 24‐h period. Histological analysis by confocal fluorescence microscopy confirms the significantly boosted accumulation of MFLs in the malignant tissue up to the intracellular level. Electron transmission microscopy reveals effective internalization by endothelial and glioblastoma cells of the magnetically conveyed MFLs as preserved vesicle structures. The magnetic field gradient emphasizes MFL distribution solely in the tumors according to the enhanced permeability and retention (EPR) effect while comparatively very low amounts are recovered in the other cerebral areas. Such a selective targeting precisely traceable by MRI is promising for therapeutic applications since the healthy brain tissue can be expected to be spared during treatments by deleterious anticancer drugs carried by magnetically guided MFLs.
Synthesis and characterization of nearly monodisperse CdE (E = sulfur, selenium, tellurium) semiconductor nanocrystallites

A simple route to the production of high-quality CdE (E=S, Se, Te) semiconductor nanocrystallites is presented. Crystallites from ∼12 A to ∼115 A in diameter with consistent crystal structure, surface derivatization, and a high degree of monodispersity are prepared in a single reaction. The synthesis is based on the pyrolysis of organometallic reagents by injection into a hot coordinating solvent. This provides temporally discrete nucleation and permits controlled growth of macroscopic quantities of nanocrystallites. Size selective precipitation of crystallites from Portions of the growth solution isolates samples with narrow size distributions (<5% rms in diameter). High sample quality results in sharp absorption features and strong «band-edge» emission which is tunable with particle size and choice of material
Evolution of Nucleotide Composition in the SARS-CoV-2 Lineage: Implications for Vaccine Design

The worldwide outbreak of a novel coronavirus, SARS-CoV-2 has caused a pandemic of respiratory disease. Due to this emergency, researchers around the globe have been investigating the evolution of the genome of SARS-CoV-2 in order to design vaccines. Here I examined the evolution of GC content of SARS-CoV-2 by comparing the genomes of the members of the group Betacoronavirus. The results of this investigation revealed a highly significant positive correlation between the GC contents of betacoronaviruses and their divergence from SARS-CoV-2. The betacoronaviruses that are distantly related to SARS-CoV-2 have much higher GC contents than the latter. Conversely, the closely related ones have low GC contents, which are only slightly higher than that of SARS-CoV-2. This suggests a systematic reduction in the GC content in the SARS-CoV-2 lineage over time. The declining trend in this lineage predicts a much-reduced GC content in the coronaviruses that will descend/evolve from SARS-CoV-2 in the future. Due to the three consecutive outbreaks (MERS-CoV, SARS-CoV and SARS-CoV-2) caused by the members of the SARS-CoV-2, the scientific community is emphasizing the need for universal vaccines that are effective across many strains including those, that will inevitably emerge in the near future. The reduction in GC contents implies an increase in the rate of GC→AT mutations than that the mutational changes in the reverse direction. Therefore, understanding the evolution of base composition and mutational patterns of SARS-CoV-2 could be useful in designing broad-spectrum vaccines that could identify and neutralize the present and future strains of this virus.
Working Paper 102

This study examines the role of autocratic ruling party strength in democratic transitions. While the impact of ruling party strength on regime stability is extensively studied, we know much less about when and why ruling party strength can facilitate democratization during regime transitions. Proceeding from recent studies that suggest autocratic incumbents often choose to democratize from a position of strength rather than weakness, I discuss how specific attributes strong ruling party organizations wield can provide autocratic incumbents with incentives and capabilities to lead democratization in the context of regime change. Using an original data on organizational characteristics of 161 autocratic ruling parties between 1970 and 2015, I provide the first set of systematic empirical evidence supporting the argument that ruling party organizational features that promote regime durability can simultaneously facilitate the implementation of substantial democratizing reforms by regime elites in a top-down fashion to preempt political opposition.
Human-Induced Particle Re-Suspension in a Room

A large-eddy simulation/immersed boundary method for particulate flows in an Eulerian framework is utilized to investigate short-term particle re-suspension due to human motion. The simulations involve a human walking through a room, stopping, and then walking in place, causing particles to be re-suspended from a carpet. The carpet layer is modeled as the porous medium and a classical adhesive force model is applied to model the resistance of the carpet-bound material to hydrodynamic forcing. The effects of parameters such as the foot penetration depth and adhesive force coefficient on mass re-suspended during the foot stamping events are examined. Simulations of particulate re-suspension experiments conducted in a room within a U.S. Environmental Protection Agency test house are also described. The simulations vary the type of human motion (stamping in place versus stamping in place with rotation). The results indicate that significant amounts of particulate material are re-suspended from the carpet layer due to the impingement of the feet during the motion event. The net mass re-suspended for human motion with rotation is two times greater than that for the motion without rotation, while the mass of re-suspended small particles is slightly greater than that of large particles. The re-suspension rates are estimated based on several time scales, and the predicted total particle number concentrations at several locations in the room show good agreement with experimental data. The present CFD model can be utilized to predict particle re-suspension rates as induced by human motion, but further work in modeling the fine-scale details of the re-suspension process is needed.