Miracle-dz/UniFAR-FTUs huggingface dataset:
Secondary organic aerosol formation from semi‐ and intermediate‐volatility organic compounds and glyoxal: Relevance of O/C as a tracer for aqueous multiphase chemistry

The role of aqueous multiphase chemistry in the formation of secondary organic aerosol (SOA) remains difficult to quantify. We investigate it here by testing the rapid formation of moderate oxygen‐to‐carbon (O/C) SOA during a case study in Mexico City. A novel laboratory‐based glyoxal‐SOA mechanism is applied to the field data, and explains why less gas‐phase glyoxal mass is observed than predicted. Furthermore, we compare an explicit gas‐phase chemical mechanism for SOA formation from semi‐ and intermediate‐volatility organic compounds (S/IVOCs) with empirical parameterizations of S/IVOC aging. The mechanism representing our current understanding of chemical kinetics of S/IVOC oxidation combined with traditional SOA sources and mixing of background SOA underestimates the observed O/C by a factor of two at noon. Inclusion of glyoxal‐SOA with O/C of 1.5 brings O/C predictions within measurement uncertainty, suggesting that field observations can be reconciled on reasonable time scales using laboratory‐based empirical relationships for aqueous chemistry.
A porous nitrogen and phosphorous dual doped graphene blocking layer for high performance Li–S batteries

Conductive confinement of sulfur and polysulfides via carbonaceous blocking layers can simultaneously address the issues of low conductivity, volume expansion of sulfur during the charge/discharge process and the polysulfide shuttling effect in lithium–sulfur (Li–S) batteries. Herein, a conductive and porous nitrogen and phosphorus dual doped graphene (p-NP-G) blocking layer is prepared via a thermal annealing and subsequent hydrothermal reaction route. The doping levels of N and P in p-NP-G as measured by X-ray photoelectron spectroscopy are ca. 4.38% and ca. 1.93%, respectively. The dual doped blocking layer exhibits higher conductivity than N or P single doped blocking layers. More importantly, density functional theory (DFT) calculations demonstrate that P atoms and –P–O groups in the p-NP-G layer offer stronger adsorption of polysulfides than the N species. The electrochemical evaluation results illustrate that the p-NP-G blocking layer can deliver superior initial capacity (1158.3 mA h g−1 at a current density of 1C), excellent rate capability (633.7 mA h g−1 at 2C), and satisfactory cycling stability (ca. 0.09% capacity decay per cycle), which are better than those of the N or P single doped graphene. This work suggests that this synergetic combination of conductive and adsorptive confinement strategies induced by the multi-heteroatom doping scheme is a promising approach for developing high performance Li–S batteries.
Measurement of aerosol optical properties by integrating cavity ring-down spectroscopy and nephelometery

Abstract : We measure scattering coefficient, extinction coefficient, scattering cross-section and single scattering albedo of 102, 203 and 296 polystyrene spheres by integrating cavity ring-down spectroscopy and nephelometery in order to calibrate the system for further studies of biomass aerosols. We compared experimental optical property measurements with Mie theory predicted values. The scattering coefficient and scattering cross-section measurements of the 203 and 296 nm polystyrene spheres agree with Mie theory predictions with uncertainty of 1% and 3% respectively. The optical property measurement for 102 nm polystyrene spheres however disagrees from 9-30%. Single scattering albedo values for the 203 and 296 nm polystyrene spheres are 0.8. The Single scattering albedo for the 102 nm polystyrene spheres ranges form 0.6 to 1. As the scattering measurements are done with less uncertainty for the 203 and 296 nm polystyrene spheres, possible cause for underestimation of the single scattering albedo could be the higher extinction coefficient measured by the CRD. The major sources of errors are discussed and recommendations made to improve accuracy for future measurements.
A Comparison of Student Technology Acceptance between Traditional and Non-Traditional Students Using Online Learning Technologies.

Online learning has changed higher education, emerging as a primary source for delivering courses and programs to students. As online learning has grown, more non-traditional students have entered college, many for the ﬁrst time. Consequently, many of these non-traditional are experiencing online learning, and the technologies that deliver them, for the ﬁrst time. Retention rates for online non-traditional students have been low and therefore understanding technology acceptance of these students is crucial to deploying online learning systems that help drive student success and retention. This quantitative research study developed and tested technology acceptance of online learning technologies using the technology acceptance model (TAM) with variables perceived ease of use (PEOU), perceived usefulness (PU), attitude (A), and intention to use (IU). The TAM variables were compared against the two dependent variables, traditional students (TS) and non-traditional students (NTS). Findings from 80 valid responses, 40 TS and 40 NTS, in an online survey and Mountain Empire Community College (MECC), showed that PEOU had a signiﬁcant effect on PU, which is consistent with TAM. Findings showed that PEOU had no effect on (A) for TS but did have a signiﬁcant effect on (A) for NTS. Further, PU had a signiﬁcant effect on (A) and (A) had a signiﬁcant effect on IU, which is consistent with TAM. Comparing TAM variables showed that there was a difference in technology acceptance between TS and NTS.
Thermoresponsiveness of ventromedial hypothalamic (VMH) neurons to peripheral (scrotal) thermal stimulation

The ventromedial hypothalamic nucleus (VMH) is an important central effector site involved in activating brown adipose tissue (BAT) or non-shivering thermogenesis. VMH neurons have previously been shown to be thermally responsive to changes in local temperature of the preoptic area/anterior hypothalamus (PO/AH). However, the thermoresponsiveness of VMH neurons of room temperature acclimatized and cold acclimatized rats to peripheral thermal stimulation has not been tested. In this thesis, a series of studies was designed to determine the thermoresponsiveness of VMH neurons to peripheral (scrotal) thermal stimulation of rats. Extracelluiar VMH neuronal activity was recorded from urethane anaesthetized male Sprague-Dawley rats, which were acclimatized either to room temperature (21°C for 4 weeks) or to cold (4°C for 4 weeks) prior to testing, during scrotal cooling and heating with glass-micropipettes filled with 0.5 M sodium acetate containing 2% pontamine sky blue. The rats' colonic temperatures were kept at normothermia (37°C), or hypothermia (33-35°C) during scrotal thermal stimulation. In the room temperature acclimatized rats, VMH neurons were temperature responsive to scrotal heating and cooling and were classified as warm responsive (WRN), cold responsive (CRN) and temperature non-responsive neurons (TNRN), based on their thermal coefficients. The ratio of VMH WRNs and CRNs was similar to that of thermoresponsive neurons observed in other brain regions (eg, the PO/AH and thalamus). VMH WRNs and CRNs were further classified as biphasic or monophasic in nature according to their thermal responses to scrotal heating and cooling. VMH neurons sustained their thermoresponsiveness to repeated trials of scrotal thermal stimulation with colonic temperatures maintained at 37°C or when colonic temperatures were acutely lowered from 37°C to 35°C and 33°C. In addition, scrotal thermal signals specifically altered neuronal activity of VMH thermoresponsive neurons, as changes in EEG activity did not occur with changes in VMH neuronal activity. Scrotal thermal inputs were functionally shown to be transmitted via the medial preoptic nucleus (MPO) prior to reaching the VMH nucleus because thermoresponsive VMH neuronal activity was blocked with the pretreatment of lidocaine into the MPO. Scrotal heating or cooling to 21°C-acclimatized rats did not increase IBAT temperatures, inferring that scrotal cooling had not evoked IBAT thermogenesis in this group. In cold acclimatized (CA) rats, prolonged (over 2 hours) and transient localized scrotal cooling caused IBAT temperatures to increase, inferring that scrotal cooling activated BAT thermogenesis. Mean basal firing rates of all recorded VMH neurons of CA-groups significantly increased, compared to those of VMH neurons observed in room temperature acclimatized (RA) groups. More VMH CRNs than WRNs were recorded in the CA-group and the thermoresponsiveness (ie, thermal coefficient) of VMH CRNs significantly increased during …
Liquid-Liquid Equilibria of the System 1-(2-Hydroxyethyl)-3-methylimidozolium Tetrafluoroborate or 1-(2-Hydroxyethyl)-2,3-dimethylimidozolium Tetrafluoroborate + Water + 1-Butanol at 293.15 K

Liquid−liquid equilibrium data are presented for mixtures of 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ([C2OHmim]BF4) or 1-(2-hydroxyethyl)-2,3-dimethylimidazolium tetrafluoroborate ([C2OHdmim]BF4) + water + 1-butanol at 293.15 K. The data presented provide valuable insight into how the environmentally friendly ionic liquid solvent can be used to separate 1-butanol and water. Selectivity values, derived from the tie line data, show that [C2OHdmim]BF4 has better extraction capacity than [C2OHmim]BF4. The experimental results show that the two ionic liquids are potentially candidates to separate 1-butanol and water by liquid−liquid extraction. The experimental tie lines were correlated with the NTRL equation.
Factors Controlling In Situ Biogeochemical Transformation of Trichloroethene: Column Study

In situ biogeochemical transformation involves biological formation of reactive minerals in an aquifer that can destroy chlorinated solvents such as trichloroethene (TCE) without accumulation of intermediates such as vinyl chloride. There is uncertainty regarding the materials and geochemical conditions that are required to promote biogeochemical transformation. The objective of this study was to identify amendments and biogeochemical conditions that promote in situ biogeochemical transformation. Laboratory columns constructed with plant mulch were supplemented with different amendments and were operated under varying conditions of water chemistry and hydraulic residence time. Four patterns of TCE removal were observed: (1) no removal, (2) biotic transformation of TCE to cis‐1,2‐dichloroethene (cis‐1,2‐DCE), (3) biogeochemical transformation of TCE without accumulation of reductive dechlorination products, and (4) mixed behavior where a combination of patterns was observed either simultaneously or over time. Principal coordinates analysis and analysis of variance (ANOVA) identified factors that promoted biogeochemical transformation: (1) high influent sulfate concentration, (2) relatively high hydraulic retention time, (3) supplementation of mulch with vegetable oil, and (4) addition of hematite or magnetite. The combination of the first three factors promoted complete sulfate reduction and a high volumetric sulfate consumption rate. The fourth factor provided a source of ferrous iron and/or a surface to which sulfide could react to form reactive iron sulfides. Many columns demonstrated either no TCE removal or a biotic TCE transformation pattern. Modification of column operation to include all four factors identified above promoted biogeochemical transformation in these columns. These results support the importance of the factors in biogeochemical transformation.
Crash Risk and Investor Horizon

We examine the relation between the probability of stock crash and investor horizon using skewness as a proxy for crash risk. We find that the negative association documented between institutional ownership and skewness in equity returns is driven by short-term institutional investors, while the presence of long-term institutional investors has a positive influence on return skewness. We also document that skewness in equity returns is negatively related to short-term institutional investors’ trading behavior. In addition, we show that the presence of short-term institutional investors induces corporate risk-taking behavior. Our results are robust to alternative model specifications and alternative proxies of the variables of interest. Our findings highlight the importance of the investment horizon on crash risk.
Macromolecular architecture in aqueous dispersions : 'living' free-radical polymerization in emulsion

In this chapter the approach towards obtaining macromolecular architectures in emulsion via nitroxide-mediated controlled free-radical polymerization (NMCRP) is investigated. First, the kinetics of NMCRP are discussed. Subsequently, computer simulations are used to evaluate the parameters that control this process at 90 °C (below the boiling point of water), which is normally performed at temperatures above 110 °C. Hereafter the effect of heterogeneity and compartmentalization on NMCRP is the subject of discussion. Finally a series of nitroxides was screened for their applicability at 90 °C in bulk polymerization conditions and in miniemulsion.
COMPARATIVE STUDY OF FORCED DEGRADATION BEHAVIOR OF PRASUGREL BY UPLC AND HPLC AND THE DEVELOPMENT OF VALIDATED STABILITY INDICATING ASSAY METHOD

A novel stability-indicating ultra-performance liquid chromatographic (UPLC) assay method was developed and validated for prasugrel and its degradation products. The UPLC separation was performed on Acquity® UPLC BEH C18 column (1.7 µm, 2.1 mm × 150 mm) using isocratic mode (acetonitrile:water, 80:20 v/v) at flow rate of 0.1 mL/min and the high performance liquid chromatography (HPLC) separation was achieved on Phenomenex® C8 column using isocratic mode (acetonitrile:10 mM ammonium acetate, 85:15 v/v) at flow rate of 0.9 mL/min. Prasugrel was found to degrade significantly in hydrolytic (acid, alkali, and neutral), and oxidative stress conditions and was stable in thermal and photolytic stress conditions. The RSD (%) values calculated for the AUC of UPLC and HPLC are 0.0039 and 0.0015, respectively. The UPLC and HPLC linearity of the proposed method were investigated in the range of 10–60 µg/mL. The r2 value of UPLC and HPLC were found to be 0.9980 and 0.9983, respectively. Method detection limit (MDL) and method quantification limit (MQL) were found to be 0.20 µg/mL and 1.00 µg/mL for UPLC and 0.50 µg/mL and 1.80 µg/mL for HPLC, respectively. The RSD (%) values for intra-day and inter-day precision were <1.0%, confirming that the method is sufficiently precise. The validation studies were carried out fulfilling ICH requirements.
Simultaneous determination of L-ascorbic acid and dehydroascorbic acid in human plasma

A method combining high-performance liquid chromatography with ultraviolet detection (HPLC-UV) was developed and validated for the accurate determination of L-ascorbic acid (AA) and dehydroascorbic acid (DHAA) concentrations in human plasma. In conventional HPLC-UV analysis, DHAA is indirectly measured by subtracting the native AA concentration from the total AA concentration. However, it is important to develop a direct method for the accurate and rapid analysis of AA and DHAA. Analyses were performed on a Primesep SB column (4.6 × 250 mm, particle size 5 μm), and the mobile phase consisted of 0.1% formic acid in water, 80%; and 0.08% formic acid in acetonitrile, 20%. The intra- and inter-day accuracies of the AA assay were 95.92–98.18% and 92.22–98.22%, respectively. The intra- and inter-day accuracies of the DHAA assay were 93.34–97.73% and 99.42–97.53%, respectively. The calibration curve was linear within the tested range of 2–100 μg mL−1 for AA and 10–200 μg mL−1 for DHAA. This HPLC method is a highly sensitive and reproducible analytical method for the simultaneous determination of ascorbic acid and DHAA in human plasma.
Electronic structures and magnetic properties of T2P (T=Mn, Fe, Ni)

The electronic structures of T2P (T=Mn, Fe, Ni) which have two types of T atoms TI and TII, were calculated by the KKR and the LMTO methods in the framework of the LSD approximation. From the position of the Fermi level in the paramagnetic DOS, one can roughly guess that Mn2P exhibits antiferromagnetism, Fe2P ferromagnetism and Ni2P paramagnetism and that the magnetic moment is smaller on TI than on TII in T2P. The existence of the very sharp and high peak of DOS at the Fermi level suggests that the magnetic properties of Fe2P are sensitive to the experimental conditions. Electrons transfer from the P and TII atoms to TI atoms.
Molecular dynamics simulation of Cu and Ar ion sputtering of Cu (111) surfaces

In ionized physical vapor deposition, used in Cu interconnect technology, the interaction of energetic ions with the growing Cu film is sensitive to both the impact angle and the energy. Detailed information, such as the angle and energy dependence of the sputter yield and sticking probability, is required for realistic feature scale modeling of film coverage in the metallization of micron-sized features (vias and trenches) in integrated circuits. Here we describe the results of molecular dynamics (MD) simulations of sputtering of Cu (111) surfaces by Cu and Ar ions suitable for incorporation into feature scale simulations. For each impact angle and energy considered (10–100 eV for Cu ions and 50–250 eV for Ar ions), the following averaged properties were calculated: sputter yield (number of Cu atoms sputtered per impact), sticking probability, thermal accommodation coefficient, average reflection angle of the impact ion, and average emission angle of the sputter products. The calculated sputter yields an.
Racemisation in asymmetric synthesis. Dynamic kinetic resolution and related processes in enzyme and metal catalysis

Dynamic kinetic resolution (DKR) has recently become not only an alternative to the traditional kinetic resolution, but also a new procedure for asymmetric synthesis. Enzymes are usually the tools to effect this methodology (DKR), although new techniques have emerged through the use of asymmetric transition metal catalysis. All of these methods need two supplementary steps: racemisation together with a consecutive asymmetric transformation. A breakthrough in this area appeared with the powerful combination of enzymatic resolution and transition metal-catalysed racemisation. Thus, new procedures for efficient dynamic kinetic resolution became available. This review covers the concept of dynamic kinetic resolutions emphasizing the most representative examples as well as new developments in this area. Special effort has been made to show the importance of the racemisation step in the whole asymmetric transformation process.
High precision biomedical sensor readout circuits design for wearable health monitoring system

This chapter presents a new low-jitter low-power RC relaxation oscillator for biomedical sensor interface application. A novel switch-capacitor based energy efficient swing boosting RC network is proposed to effectively improve the oscillator phase noise and energy efficiency. A low input-referred noise low power inverter-based comparator with replica biasing is employed to enhance the phase noise performance and to reduce output frequency inaccuracy over supply voltage variation. A first-order temperature compensated timing resistor is designed to reduce the output frequency inaccuracy over temperature variations. The prototype relaxation oscillator circuit is designed and fabricated in a commercial 65 nm CMOS process. The measured output frequency is 3 MHz under nominal supply voltage of 1 V, consuming a total power of 17.3 μW. This design achieves an energy efficiency of 5.7 pJ/cycle, and output phase noise of -114 dBc/Hz at 100 kHz offset frequency. The measured relative period jitter is 0.015%. The frequency inaccuracy is ±0.15% over a supply range of 1 V to 1.6 V, and ±0.6% over a temperature range of 0°C to 90°C. The Figure-ofMerit (FOM) is computed to be 161 dBc/Hz, which compares favorably with the benchmark FOM of 162.1 dBc/Hz [42]. Organization of Chapter This chapter is organized as follows. Section 3.1 provides the background and state the targets to be achieved. Section 3.2 summarizes the existing techniques and the corresponding problems. Section 3.3 evaluates the architectures of conventional relaxation oscillator design and the existing swing
Influence of the Gas Temperature in Ozone Production of Mixture N2-O2

The ozone occurs naturally in the atmosphere and presents a filter of protection, absorbing the radiations wavelengths lower than 310 nm. The industrial generation of ozone is the classical application of the non-equilibrium air plasmas at the atmospheric pressure. A low temperature is needed because the ozone quickly decays at the high temperature. This study is based on a temporal kinetic model for the production of ozone. The chemical kinetics take into account 96 reactions with 19 species atomic and molecular created in the discharge. In this work, the model allows to calculate the temporal evolution of neutral, ionized and excited species concentrations in plasma. The results show the influence of the kinetic on the ozone production yield and on the gas heating by Joule effect.
Magnetic insulation of secondary electrons in plasma source ion implantation

The uncontrolled loss of accelerated secondary electrons in plasma source ion implantation (PSII) can significantly reduce system efficiency and poses a potential x‐ray hazard. This loss might be reduced by a magnetic field applied near the workpiece. The concept of magnetically insulated PSII is proposed, in which secondary electrons are trapped to form a virtual cathode layer near the workpiece surface where the local electric field is substantially reduced. Subsequent electrons that are emitted can then be reabsorbed by the workpiece. Estimates of anomalous electron transport from microinstabilities are made. Insight into the process is gained with multidimensional particle‐in‐cell simulations.
Normal Vibrations of N‐Methylacetamide

The in‐plane normal vibrations of N‐methylacetamide and its deuterated compound were calculated as a six‐body problem. The force constants were transferred from diformylhydrazine and other molecules with similar structures. The normal modes as well as the distributions of the potential energy among symmetry coordinates were also calculated. The result of these calculations allows quantitative discussions concerning the nature of the amide I, II, II′, III, III′, and IV vibrations and other normal vibrations of N‐methylacetamide.
Volatile constituents of Brazilian phoebe oil

From Brazilian Phoebe oil (essential oil of Phoebe porosa Mez. syn. Oreodaphne porosa Mez.) over 100 constituents could be identified by 1H-NMR spectra and GC–MS. The main constituents are carquejyl acetate (24, 2.1%), the sesquiterpenes α-copaene (29, 5.6%), γ- (56, 3.5%), and δ-cadinene (59, 3.1%), cremoligenol(88, 8.4%), β-eudesmol (95, 8.4%), valerianol (97, ˜5%), α-bisabolol (102, 3.6%) and β-bisabolol (100, 2.9%). The structures of epi-sesquithujene (31) and of some trace constituents, oreodaphnenol (50, a 6,8-cycloguaian-4-ol) as well as the rare trans-α-bergamot-2-en-10-one (69) and a new sesquiterpene ketone, porosadienone (99, an 6(78)-abeo-eudesmadienone), could be confirmed by spectral data.
Development of Monoclonal Antibody-based Enzyme-linked Immunosorbent Assay to the Estrogen Diethylstilbestrol

已烯雌酚(DES ) 是曾经全球被使用了的合成雌激素。 Polyclonal 抗体(PAbs ) 在以前的纸在环境、农业的样品为 DES 残余的察觉在免疫分析被使用。 在这份报纸，间接竞争连接酶的 immunosorbent 试金(icELISA ) 为已烯雌酚的决心基于 monoclonal 抗体(MAb ) 被开发。 Mono-o-carboxypropyldiethylstilbestrol (DES-CP ) 和 mono-o-carboxymethyldiethylstilbestrol (DES-CME ) 被综合是 haptens。 DES-CP 被联合到牛的浆液白朊(BSA ) 是在为 MAb 生产的 BALB/c 雌老鼠的 immunogen。 MAb 在 icELISA 为到 DES 的特性和亲密关系被描绘。 在最佳条件下面， icELISA 显示出 9.8 ng/mL 的 IC50， 2.3 ng/mL 的察觉(IC20 ) 和 242 ng/mL 的一个工作范围的限制。 Hexestrol 和 dienestrol 展出了跨反应的价值分别地是 44% 和 27% 。 自然雌激素 17-estradiol 跨反应是不到 0.1% 。 象试金上的盐集中， pH 和器官的溶剂集中那样的一些因素的影响被评估。 在试金决定的强化的水样品的 DES 的集中与筑堡层次被相关很好。 结果被 HPLC 与分析证实。