Single Liquid Research Articles

Safety and immunogenicity of live, attenuated intranasal Bordetella pertussis vaccine (BPZE1) in healthy adults

BackgroundBPZE1 is a live, attenuated pertussis vaccine derived from B. pertussis strain Tohama I modified by genetic removal or inactivation of 3 B. pertussis toxins: pertussis toxin, dermonecrotic toxin, and tracheal cytotoxin. This Phase 2a study evaluated the safety and immunogenicity of liquid or lyophilized BPZE1 vaccine administered intranasally by needleless tuberculin syringe or mucosal atomization device (VaxINatorTM) at two dose levels. MethodsFifty healthy male and non-pregnant female participants 18–49 years of age were enrolled. Participants were randomized 3:3:3:1 to a single lyophilized dose of 107 colony forming units (CFU) BPZE1, 109 CFU BPZE1, placebo via VaxINator device, or a single liquid dose of 109 CFU BPZE1 via tuberculin syringe. Reactogenicity was assessed for 14 days. Blood was obtained pre-vaccination; on Day 8 (safety); and on Days 15, 29, and 181 (immunogenicity). Nasal wick and swab samples were obtained at baseline and on Days 29 and 181 for assessment of mucosal antibody responses and clearance of BPZE1. ResultsAcross all groups, 35/50 (70 %) experienced at least one local adverse event (AE) and 31/50 (62 %) experienced at least one systemic AE, with similar AE frequencies observed between the highest 109 CFU BPZE1 and placebo groups. There were no severe or serious AEs during the study. At Day 29, seroconversion (≥2-fold rise from baseline in serum IgG or IgA) to at least 2 pertussis antigens was observed in 73 % in the 109 CFU BPZE1 VaxINator group, 60 % in the 109 CFU BPZE1 group delivered via tuberculin syringe, 27 % of participants in the 107 CFU BPZE1 VaxINator group, and 20 % in the placebo VaxINator group. No participants were colonized with BPZE1 at Day 29 post vaccination. DiscussionLyophilized BPZE1 vaccine was well tolerated and immunogenic at the highest dose (109 CFU) delivered intranasally by VaxINator device and was not associated with any SAEs or prolonged shedding of BPZE1. Further evaluation of BPZE1 is warranted.

Thermodynamic analysis for solidification path of simulated ex-vessel corium

Molten corium is considered to form in a severe accident at the Fukushima Daiichi Nuclear Power Station (FDNPS). Investigation of the primary containment vessel (PCV) inside the FDNPS showed that a significant amount of the molten corium reached the bottom of the pedestal region. The molten corium and concrete likely caused a complex interaction called Molten Corium Concrete Interaction (MCCI). Then, ex-vessel debris was formed after the solidification of the MCCI products and accumulated in the pedestal region. The solidification hysteresis of ex-vessel debris significantly influences its properties. We performed a thermodynamic analysis using the TAF-ID database to infer the solidification path of U–Zr–Al–Ca–Si–O molten corium, which was chosen for a prototypic system of ex-vessel debris. The solidification path for the CaO-rich sim-corium showed the following sequence: (i) melting as a single liquid phase at temperatures higher than 2430 K, (ii) selective solidification of the oxide-rich corium mainly consisted of fuel materials, and (iii) solidification of the remaining materials as a silicate matrix. In contrast, the solidification path for the SiO2-rich corium indicated that (i) formation of liquid miscibility gap above 2200 K between U-rich and Zr-rich oxidic melts, (ii) individual precipitation of solid phases in each liquid phase. Identified features of these solidification paths were in good agreement with the experimental data for the solidified sim-corium.

Simultaneous Determination of Esafoxolaner, Eprinomectin, Praziquantel, BHT and Their Related Substances in a Topical Finished Product by a Single Reversed-Phase High-Performance Liquid Chromatography Method.

The topical product with three active pharmaceutical ingredients (APIs), namely, esafoxolaner, eprinomectin and praziquantel has demonstrated its efficacy in the treatment of cats with mixed infections with ectoparasites and nematodes and cestodes. A reversed-phase high-performance liquid chromatography (RP-HPLC) method has been developed and validated for assay and determination of related substances peaks of three APIs including the assay of antioxidant butylated hydroxytoluene (BHT) in the finished product. Analytes were separated on a short Zorbax SB-C18 column (50 × 4.6mm I.D., 5μm particle size, pore size: 80Å) with gradient elution at 40 °C column temperature. Analytes were detected at 245nm for praziquantel, esafoxolaner, eprinomectin and their degradation products. BHT and eprinomectin degradation product 8a-oxo-B1a were detected at 280nm. All analytes of interest were adequately separated within 40min. The assay for praziquantel, esafoxolaner, eprinomectin and BHT was conducted against their corresponding external reference standards. The related substances peaks of each API were determined by peak area and relative response factor against total peak area of their corresponding API peak in sample solution. This method has been demonstrated to be accurate, robust, specific and stability indicating.

The effect of metal rate on the gamma shielding parameters of hydroxyapatite at medical treatment energies

The hydroxyapatite (HAp) is a kind of biomaterial which is used for bone treatment applications. We have scrutinized the gamma attenuation parameters such as such as the effective atomic number (Zeff), electron density (Nel), mass attenuation coefficient (MAC), linear attenuation coefficient (LAC), half value layer (HVL), tenth value layer (TVL) and mean free path (MFP) for only single liquid gamma source and a narrow beam geometry for the energy (medical treatment energy) ranging from 778 keV to 1408 keV (Eu-152) for the animal bone, iron, cobalt, copper, and zinc decorated Nano hydroxyapatite (nFeHAp, nCoHAp, nCuHAp, and nZnHAp) artificial bone powders. The gamma-rays were counted with using Ultra Low Energy Germanium detection system with a resolution 150 eV at 5,95 keV and a high purity germanium detector with a resolution of 1.85 keV at 1.33 MeV experimentally. The gamma ray attenuation parameters are calculated for the metal doped hydroxyapatite and compare with the animal bone. The results were compared with the output XCOM NIST data. While the mass absorption coefficient values for animal bone range from 0.08 to 0.05 at current energy levels, the values for metal-added artificial bone powders range from 0.07 to 0.05. While the linear absorption coefficient values for existing energy values for animal bone range from 0.04 to 0.02, they range from 0.03 to 0.02 for metal-added artificial bone powders. Mean free path values for real bone range from 24 to 36 at current energies, while half value layer values range from 16 to 25 and tenth value layer values range from 56 to 83. For metal-doped artificial bone powders, these parameters range from 26 to 35, 18 to 24, and 61 to 80, respectively. The results points that, the data of the gamma ray attenuation parameters are very close to the value of the animal bone due to the removal of calcium atoms from the structure when metal is added.

On the Linear Stability Problem for a Three-Layer Displacement in a Porous Media

In this paper, we study the secondary oil recovery process. The oil from a porous reservoir at low pressure is pushed by a forerunner, less viscous fluid (a polymer solute). Then the well-known Saffman-Taylor instability appears. Some authors tried to minimize this instability by using a succession of intermediate liquids with constant viscosities - the multi-layer model. The surface tensions on the interfaces between liquid layers are a stabilizing factor. In some previous papers, we proved some contradictions of this multi-layer model. However, we considered that the corresponding stability problem has a solution. This model's first step (and the mathematical basis) is the three-layer model, with a single intermediate liquid. We prove that the linear stability problem for the three-layer model has no solution (in general) - the growth rates of perturbations may not exist. On the contrary, an intermediate liquid with a suitable variable viscosity can almost suppress the Saffman-Taylor instability, even if the surface tensions are missing [17].

Hydrodynamics and liquid–solid mass transfer in micropacked bed reactors with copper foam packing

Hydrodynamics and liquid–solid mass transfer in micropacked bed reactors (μPBRs) with copper foam packing are investigated. Effects of fluid superficial velocities, liquid viscosity, pore diameter of foam packing on the residence time distribution, liquid holdup, axial dispersion coefficient, and liquid–solid mass transfer coefficient are discussed. The liquid holdup of μPBRs can reach 0.23 ∼ 0.39, which is larger than that of packed bed reactors (0.05). The axial dispersion coefficient of μPBRs is 3.17 × 10-6 ∼ 2.30 × 10-5 m2/s, which is similar with that of packed bed reactors. The value of liquid–solid volumetric mass transfer coefficient with effect of axial dispersion coefficient in μPBRs can reach 0.033 ∼ 0.13 s−1, which is higher than that of packed bed reactors (0.006 ∼ 0.09 s−1). The empirical models of liquid holdup, axial dispersion coefficient, and liquid–solid mass transfer coefficient in single liquid phase flow and gas–liquid two phase flow of μPBRs are established and their predictions are in good agreement with experimental values.

Numerical investigation on thermal performance of battery module with LCP‐AFC cooling system applied in electric vehicle

AbstractTo improve the thermal performance of electric vehicle batteries, a novel cooling system of liquid cold plates coupled with air flow channels (LCP‐AFC) for battery thermal management was proposed. Three‐dimensional models were established for simulation. The effects of five factors on the heat dissipation of the electric vehicle battery module were studied, which included the battery discharge rate, inlet temperature of cooling liquid, nanofluids, airflow velocity, liquid, and air flow directions. The results showed that the maximum temperature Tmax and temperature difference ΔT of the battery module under 1 C discharge rate could be reduced by 1.1°C and 0.92°C compared to the single liquid cooling. Comparing the LCP‐AFC with single air cooling, the Tmax and ΔT of the battery module under 4 C discharge rate could be reduced by 18.74°C and 2.71°C. The temperature uniformity of the battery module was not satisfied with the inlet temperature of the cooling liquid, which was lower than 15°C. The heat transfer performance was improved by adding Al, Cu, or Ag nanoparticles into the deionized water. Among them, Ag–water nanofluid had the most significant cooling effect. Parallel flow indicated better thermal performance than cross flow and counter flow. The developed cooling system of LCP‐AFC offers a new method to design lithium‐ion battery thermal management system for controlling temperature distribution of a battery module.

Over 70 % Faradaic Efficiency for CO2 Electroreduction to Ethanol Enabled by Potassium Dopant‐Tuned Interaction between Copper Sites and Intermediates

AbstractIt is highly desired yet challenging to steer the CO2 electroreduction reaction (CO2ER) toward ethanol with high selectivity, for which the evolution of reaction intermediates on catalytically active sites holds the key. Herein, we report that K doping in Cu2Se nanosheets array on Cu foam serves as a versatile way to tune the interaction between Cu sites and reaction intermediates in CO2ER, enabling highly selective production of ethanol. As revealed by characterization and simulation, the electron transfer from K to Se can stabilize CuI species which facilitate the adsorption of linear *COL and bridge *COB intermediates to promote C−C coupling during CO2ER. As a result, the optimized K11.2%‐Cu2Se nanosheets array can catalyze CO2ER to ethanol as a single liquid product with high selectivity in a potential area from −0.6 to −1.2 V. Notably, it offers a Faradaic efficiency of 70.3 % for ethanol production at −0.8 V with as is stable for 130 h.

Over 70 % Faradaic Efficiency for CO2 Electroreduction to Ethanol Enabled by Potassium Dopant-Tuned Interaction between Copper Sites and Intermediates.

It is highly desired yet challenging to steer the CO2 electroreduction reaction (CO2 ER) toward ethanol with high selectivity, for which the evolution of reaction intermediates on catalytically active sites holds the key. Herein, we report that K doping in Cu2 Se nanosheets array on Cu foam serves as a versatile way to tune the interaction between Cu sites and reaction intermediates in CO2 ER, enabling highly selective production of ethanol. As revealed by characterization and simulation, the electron transfer from K to Se can stabilize CuI species which facilitate the adsorption of linear *COL and bridge *COB intermediates to promote C-C coupling during CO2 ER. As a result, the optimized K11.2% -Cu2 Se nanosheets array can catalyze CO2 ER to ethanol as a single liquid product with high selectivity in a potential area from -0.6 to -1.2 V. Notably, it offers a Faradaic efficiency of 70.3 % for ethanol production at -0.8 V with as is stable for 130 h.

Microscopic observation of a liquid-liquid-(semi)solid phase in polluted PM2.5

Atmospheric aerosol particles are complex mixtures having various physicochemical properties. To predict the role and characteristics of such complex aerosol particles in air pollution and related atmospheric chemistry, our knowledge of the number and types of phases in complex aerosol particles should be improved. However, most studies on the phase behavior of aerosol particles have been conducted in the laboratory and have not used real-world aerosol particles. In this study, using a combination of optical microscopy and poke-and-flow technique, we investigated the number and types of phases of actual aerosol particles of particulate matter < 2.5 µm (PM2.5) collected on heavily polluted days in Seosan, South Korea in winter 2020–2021. From the microscopic observations at 293 K, it showed that the PM2.5particles exist in a single liquid phase at relative humidity (RH) >∼85%, a liquid-liquid phase at ∼70% < RH <∼85%, a liquid-liquid-(semi)solid phase at ∼30% < RH <∼70%, and a (semi)solid phase at RH <∼30% upon dehydration. This reveals that three phases of atmospheric aerosol particles coexisting as liquid-liquid and liquid-liquid-(semi)solid would be the most common phases in the atmosphere considering ambient RH ranges. These observations provide fundamental properties necessary for improved predictions of air quality and aerosol chemistry such as reactive uptake of N2O5, size distributions, and mass concentrations of aerosol particles.

Electrochemically Rechargeable Liquids in Highly Flexible Energy Storage Systems

Hydrogen and electricity are expected to be the two major energy carriers of the future. Unfortunately, neither can be stored as an ambient-temperature liquid, which is the ideal energy-carrier medium. H2 can be used in a wide variety of both stationary and transportation applications, as envisioned by DOE’s H2@Scale program [1]. Although DOE has not yet established targets for stationary H2 storage, the key metrics for an “ideal hydrogen carrier” are [2]: liquid at all operating temperatures, high energy density, efficient conversions at relatively benign conditions, long cycle life, compatible with existing infrastructure for fuels, low cost, and safety (toxicological and eco-toxicological). Relative to thermal conversions, electrochemistry can enable relatively efficient conversions at more benign conditions. While electrochemically-rechargeable liquids (ERLs) are not a new idea, the focus of this talk will be on innovative conversion options, which includes combinations of the cell configurations shown in Fig. 1. In particular, it will be shown that ERLs that can be charged using either electrical and/or hydrogen energy, and which can also produce H2 or electricity on demand can enable highly flexible energy-storage systems that can potentially be used for both stationary and transportation applications. In short, an ERL can provide essential “energy-banker services” by simultaneously converting and storing these two major “energy currencies” of the future in a single aqueous liquid. These systems can be readily scaled up or scaled down. This talk will also present a very brief overview of potentially attractive ERL options, which can include conventional liquid-organic hydrogen carriers (i.e., LOHCs, such as organics that are liquids at room temperature, like methylcyclohexane), as well as aqueous solutions (e.g., diluted alcohols) or dissolved solids (e.g., redox-flow-battery electrolytes) [3]. The current status of this technology will be briefly reviewed, including a summary the key technical barriers, as well as some enabling concepts to potentially address each of these challenges.The goal will be to provide the audience with a sufficient overview of these ERL-conversion system concepts, such that a productive discussion can occur on additional improvements, potential end uses, and future collaborations. [1] B. Pivovar, N. Rustagi, and S. Satyapal, ECS Interface, 27 (2018) 47. [2] T. Autry and M. Bowden, “HyMARC; H2 Carriers for Bulk H2 Storage & Transport,” AMR slides, ST204 (2020). [3] M. L. Perry & Z. Yang, J. Electrochem. Soc., 166 (2019) A3045. Figure 1

Electron tunneling spectroscopy of an anisotropic Kitaev quantum spin liquid sandwiched between superconductors

We present the electron tunneling transport and spectroscopic characters of a superconducting (SC) Josephson junction with a barrier of a single anisotropic Kitaev quantum spin liquid (QSL) layer. We find that the dynamical spin-correlation features are well reflected in the direct-current differential conductance $d{I}^{c}/dV$ of single-particle tunneling, including the unique spin gap and dressed itinerant Majorana dispersive band, in addition to an energy shift $2\mathrm{\ensuremath{\Delta}}$ from the two-SC-lead gap. From the spectral characters, we identify different topological quantum phases of the anisotropic Kitaev QSL. We also present the zero-voltage Josephson current ${I}^{s}$, which displays residual features of the anisotropic Kitaev QSL. These results pave a new path to measurement of dynamical spinon or Majorana fermion spectroscopy of Kitaev and other spin-liquid materials.

Implementation of PID controller for liquid level system using mGWO and integration of IoT application

Industrial automation is a multi-disciplinary study field that is constantly evolving. This research proposes IoT-based real-time liquid level monitoring and control in a single tank system. A PID controller with parameters sets using a novel modified Grey Wolf Optimization (mGWO) algorithm is used to manage the liquid level. The PID controller was then built on the ESP32 microcontroller module, and an android-based application was created utilizing the Blynk platform for IoT plant monitoring and control. The mGWO algorithm is used in MATLAB to optimize the Kp, Ki, and Kd values of PID controller parameters. The Arduino IDE is used to create the microcontroller programing as well as the interface for the Android application to the ESP32 microcontroller module. The results reveal that a single tank liquid level control system based on mGWO outperforms Ziegler–Nichols and SIMC tuning approaches. Furthermore, the adoption of an IoT application-based user interface boosts the plant’s control and monitoring flexibility.

Search for an anomalous excess of inclusive charged-current νe interactions in the MicroBooNE experiment using Wire-Cell reconstruction

We report a search for an anomalous excess of inclusive charged-current (CC) $\nu_e$ interactions using the Wire-Cell event reconstruction package in the MicroBooNE experiment, which is motivated by the previous observation of a low-energy excess (LEE) of electromagnetic events from the MiniBooNE experiment. With a single liquid argon time projection chamber detector, the measurements of $\nu_{\mu}$ CC interactions as well as $\pi^0$ interactions are used to constrain signal and background predictions of $\nu_e$ CC interactions. A data set collected from February 2016 to July 2018 corresponding to an exposure of 6.369 $\times$ 10$^{20}$ protons on target from the Booster Neutrino Beam at FNAL is analyzed. With $x$ representing an overall normalization factor and referred to as the LEE strength parameter, we select 56 fully contained $\nu_e$ CC candidates while expecting 69.6 $\pm$ 8.0 (stat.) $\pm$ 5.0 (sys.) and 103.8 $\pm$ 9.0 (stat.) $\pm$ 7.4 (sys.) candidates after constraints for the absence (eLEE$_{x=0}$) of the median signal strength derived from the MiniBooNE observation and the presence (eLEE$_{x=1}$) of that signal strength, respectively. Under a nested hypothesis test using both rate and shape information in all available channels, the best-fit $x$ is determined to be 0 (eLEE$_{x=0}$) with a 95.5% confidence level upper limit of $x$ at 0.502. Under a simple-vs-simple hypotheses test, the eLEE$_{x=1}$ hypothesis is rejected at 3.75$\sigma$, while the eLEE$_{x=0}$ hypothesis is shown to be consistent with the observation at 0.45$\sigma$. In the context of the eLEE model, the estimated 68.3% confidence interval of the $\nu_e$ hypothesis to explain the LEE observed in the MiniBooNE experiment is disfavored at a significance level of more than 2.6$\sigma$ (3.0$\sigma$) considering MiniBooNE's full (statistical) uncertainties.

Use of Refractory‐Volatile Element Deep Eutectic Regions to Grow Single Crystalline Intermetallic Compounds

AbstractCompounds containing both refractory and volatile elements present a unique challenge for crystal growth, given the conflicting realities of high melting temperatures and high vapor pressures. Nevertheless, the discovery of superconductivity in FeAs and FeSe based materials and a Weyl semimetal state in TaP are motivations to explore compounds containing such pairs. Here, we discuss use of the low‐melting single phase liquid regions above deep M‐X eutectics (M=transition metal, X=P, S) as the basis for high temperature solutions for growing intermetallic compounds containing volatile‐refractory pairs. We show that Ni‐P, Pd‐P, Pt‐P, and Pd‐S compositions form single phase melts at moderate temperatures below 1000 °C and with minimal vapor pressure. We first present the simple case of growing Ni2P from Ni‐P and next discuss the more complicated growth of RPd3S4 (R=La, Ce, Nd, Eu) from a Pd‐S melt. We show how frit‐disc alumina crucible sets allow for contamination‐free capture of decanted liquid and its reuse in subsequent experiments, demonstrating a fractionation of the CePd3S4 growth to determine the optimal conditions for crystal growth. We conclude by using the single phase liquid regions above the Pt‐P and Pd‐P eutectics to grow single crystals of MPt5P (M=Mn, Fe) and MnPd5P. As these materials have primarily been studied in polycrystalline form, we give an overview of the magnetic and transport properties of our single crystals. The examples outlined here illustrate the utility of using the single phase liquid above deep metal‐X eutectics for solution growth and materials discovery.

Performance assessment of sustainable energy based novel technique for multistage reciprocating liquid dehumidification system

Liquid desiccant technology is a promising option with a high thermal coefficient of performance (COP), easy storage, and lower regeneration temperature. Single stage static liquid dehumidification approach gave a limited moisture removal rate. Hence, the paper focuses on designing and fabricating a multistage reciprocating desiccant dehumidification system integrated with a conventional vapour compression cycle. The system consists of an absorber unit consisting of calcium chloride liquid desiccant and a duct integrated with Celdek packing for dehumidifying the inlet air. The desiccant concentration is recovered by circulating it to a regeneration unit. Regeneration unit consists of a heating unit, a separator, & a contact device. Experiments are conducted by varying the number of packings, desiccant concentrations, and air Reynolds number. Dehumidification performance parameters such as coefficient of mass transfer (MTC), rate of moisture removal (MRR), sensible heat factor (SHF), dehumidification effectiveness (DE) are evaluated. Energy consumption is determined for varying conditions, and the coefficient of performance of the overall system is determined. Regenerator performance is studied corresponding to change in the desiccant concentration at various stages of regeneration. Experimental results indicated a maximum dehumidification efficiency, moisture removal rate, and the coefficient of performance is equal to 77.6%, 5.2 g/s and 3.5. In the contact device, when packing linear velocity increases from 0.13 m/s o 0.26 m/s, ΔW will be increased by 116%, and ΔT dropped by 17.3% for 40% desiccant solution. Contact device is very effective for regeneration in increasing the desiccant concentration and reducing the temperature.

Marangoni spreading and contracting three-component droplets on completely wetting surfaces

SignificanceThe shape and dynamics of small sessile droplets are dictated by capillary forces. For liquid mixtures, evaporation adds spatio-temporal modulation to these forces that can either enhance or inhibit droplet spreading, depending on the direction of the resulting Marangoni flow. This work experimentally and numerically demonstrates the coexistence of two antagonistic Marangoni flows in a ternary mixture. Played against each other, they can choreograph a boomerang-like wetting motion: Droplets initially rapidly spread, then contract into a compact cap shape. While such a behavior has been impossible in wetting scenarios of simple liquids, it enables spread-retract-remove surface processing with the addition of a single small liquid volume, demonstrated here in a surface-cleaning experiment.

Coupled Electrohydrodynamic and Thermocapillary Instability of Multi-Phase Flows Using an Incompressible Smoothed Particle Hydrodynamics Method

This paper concerns the study of coupled effects of electrohydrodynamic (EHD) and thermocapillary (TC) on the dynamic behaviour of a single liquid droplet. An incompressible Smoothed Particle Hydrodynamic (ISPH) multiphase model is used to simulate EHD-TC driven flows. The complex hydrodynamic interactions are modeled using the continuum surface force (CSF) method, in which the gradient of the interfacial tension and the Marangoni forces are calculated with an approximated error or 0.014% in the calculation of Marangoni force compared to the analytical solutions which is a significant improvement in comparison with previous SPH simulation studies, under the assumption that the thermocapillarity generates sufficiently large stress to allow droplet migration, while the electrohydrodynamic phenomena influences the droplet morphology depending on the electrical and thermal ratios of the droplet and the ambient fluid. This study shows that, when applying a vertical electric field and thermal gradient, the droplet starts to stretch horizontally towards a break-up condition at a high rate of electrical permitivity. The combined effect of thermal gradient and electric field tends to push further the droplet towards the break-up regime. When the thermal gradient and the electric field vector are orthogonal, results show that the droplet deformation would take place more slowly and the Marangoni forces cause the droplet to migrate, while the stretching in the direction of the electric field is not seen to be as strong as in the first case.

Unique green chromatography method for the determination of serotonin receptor antagonist (Ondansetron hydrochloride) related substances in a liquid formulation, robustness by quality by design-based design of experiments approach.

Serotonin receptor antagonist drug Ondansetron hydrochloride injectable formulation containing all related substances was identified and quantified by a single, simple, sensitive, eco-friendly, and green high-performance liquid chromatography method. The disseverment of all impurities was achieved with the Discovery Cyano (250 × 4.6) mm, 5μm column. The gradient program was composed of pH 5.7 phosphate buffer as mobile phase A and acetonitrile as mobile phase B. The flow rate, column compartment temperature, and detection wavelengths were 0.9 mL/min, 30°C, and 216 nm, respectively. The method was validated as per current regulatory guidelines. The obtained %relative standard deviation for the precision results was between 0.55 and 2.72% for all impurities. The correlation coefficient values from the linearity experiment for impurities and analyte were more than 0.995. The accuracy results were obtained between 88.4 and 113.0% for all impurities. Both sample and standard solutions showed 24 h stability at benchtop and refrigerator conditions. All impurities and analytes met the specificity and mass balance for all forced degradation conditions. Quality-by-design-based design of experiments was utilized to establish the method's robustness. Method greenness was assessed by using the current advanced tool green analytical procedure index, National Environmental Methods Index, and analytical eco-scale.

Intrinsic viscuit probability distribution functions for transport coefficients of liquids and solids.

A reformulation of the Green-Kubo expressions for the transport coefficients of liquids in terms of a probability distribution function (PDF) of short trajectory contributions, which were named "viscuits," has been explored in a number of recent publications. The viscuit PDF, P, is asymmetric on the two sides of the distribution. It is shown here using equilibrium 3D and 2D molecular dynamics simulations that the viscuit PDF of a range of simple molecular single component and mixture liquid and solid systems can be expressed in terms of the same intrinsic PDF (P0), which is derived from P with the viscuit normalized by the standard deviation separately on each side of the distribution. P0 is symmetric between the two sides and can be represented for not very small viscuit values by the same gamma distribution formulated in terms of a single disposable parameter. P0 tends to an exponential in the large viscuit wings. Scattergrams of the viscuits and their associated single trajectory correlation functions are shown to distinguish effectively between liquids, solids, and glassy systems. The so-called viscuit square root method for obtaining the transport coefficients is shown to be a useful probe of small and statistically zero self-diffusion coefficients of molecules in the liquid and solid states, respectively. The results of this work suggest that the transport coefficients have a common underlying physical origin, reflecting at a coarse-grained level the traversal statistics of the system through its high-dimensioned potential energy landscape.