We investigated the evaporation and condensation coefficients of vapor, which represent evaporation and condensation rates of vapor molecules, under high gas pressure (high gas density) conditions in ...a system of a vapor/gas-liquid equilibrium state. The mixture gas is composed of condensable gas (vapor) and non-condensable gas (NC gas) molecules. We performed numerical simulations of vapor/gas-liquid equilibrium systems with the Enskog-Vlasov direct simulation Monte Carlo (EVDSMC) method. As a result of the simulations, we found that the evaporation and condensation fluxes decrease with increasing NC gas pressure, which leads to a decrease in the evaporation and condensation coefficients of vapor molecules. Especially, under extremely high gas pressure conditions, the values of these coefficients are close to zero, which means the vapor molecules cannot evaporate and condensate at the interface. Moreover, we found that the vapor molecules behave as NC gas molecules under high gas pressure conditions. We also discussed the reason why NC gas molecules interfere with evaporation and condensation of vapor molecules at the vapor/gas-liquid interface.
•Reaction products of tea catechins with acrolein were analyzed.•One molecule of tea catechins trapped up to three acrolein molecules.•The mono-acrolein-epigallocatechin gallate conjugate structure ...was determined.•Green tea powder suppressed the formation of toxic aldehydes during cake baking.•Aldehyde-detoxifying ability of green tea powder is a practical food functionality.
Lipid peroxidation-derived reactive carbonyl species (RCS) such as acrolein and 4-hydroxynonenal pose health risks. We characterized the RCS-scavenging reactions of tea catechins in an aqueous solution and in baked cake. Acrolein’s reaction with each of the major tea catechins (epicatechin, epigallocatechin, epicatechin gallate, and epigallocatechin gallate) resulted in the formation of mono-, di-, and tri-acrolein conjugates of each catechin as revealed by our LC-linear ion trap MS analysis. The formation of the acrolein-conjugates of the four catechins was confirmed in the reaction of acrolein with green tea powder (matcha) extract. The addition of matcha tea powder to cake dough significantly suppressed the accumulation of RCS during cake baking. The mono-acrolein conjugates of the four major catechins were detected in the baked cake. The RCS-scavenging capability of tea catechins offers a new functionality of matcha tea powder, and its heat stability demonstrates the usefulness of matcha as a food additive.
The kinetic boundary condition (KBC) represents the evaporation or condensation of molecules at the vapor-liquid interface for molecular gas dynamics (MGD). When constructing the KBC, it is necessary ...to classify molecular motions into evaporation, condensation, and reflection in molecular-scale simulation methods. Recently, a method that involves setting the vapor boundary and liquid boundary has been used for classifying molecules. The position of the vapor boundary is related to the position where the KBC is applied in MGD analyses, whereas that of the liquid boundary has not been uniquely determined. Therefore, in this study, we conducted molecular dynamics simulations to discuss the position of the liquid boundary for the construction of KBCs. We obtained some variables that characterize molecular motions such as the positions that the molecules reached and the time they stayed in the vicinity of the interface. Based on the characteristics of the molecules found from these variables, we investigated the valid position of the liquid boundary. We also conducted an investigation on the relationship between the condensation coefficient and the molecular incident velocity from the vapor phase to the liquid phase. The dependence of the condensation coefficient on the incident velocity of molecules was confirmed, and the value of the condensation coefficient becomes small in the low-incident-velocity range. Furthermore, we found that the condensation coefficient in the non-equilibrium state shows almost the same value as that in the equilibrium state, although the corresponding velocity distribution functions of the incident velocity significantly differ from each other.
Celotno besedilo
Dostopno za:
DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
Background: Coronary healed plaques (HPs) reportedly have high vulnerability or show advanced atherosclerosis and a risk of rapid plaque progression. However, the prognosis of stable angina pectoris ...(SAP) patients with HPs undergoing percutaneous coronary intervention (PCI) remains under-investigated.Methods and Results: We analyzed 417 consecutive lesions from SAP patients undergoing pre- and post-intervention optical coherence tomography (OCT) for which HPs were defined as having a layered appearance. We investigated the differences in clinical and lesion characteristics, and post-PCI outcomes between HPs and non-HPs. To account for differences in clinical characteristics, propensity score matching was performed between the groups. HPs were observed in 216 lesions (51.8%) in the total cohort. In the propensity-matched cohort (n=294), HPs had higher rates of angiographic-B2/C lesions (77.6% vs. 59.2%, P<0.001), OCT-lipid-rich plaques (40.8% vs. 25.9%, P=0.007), macrophages (78.2% vs. 44.2%, P<0.001), greater luminal area stenosis (73.5±11.0% vs. 71.5±10.3%, P=0.002), and a higher prevalence of post-stenting irregular tissue protrusion (45.1% vs. 14.7%, P<0.001) than non-HPs. In the total cohort, target lesion revascularization (TLR)-free survival was poorer for HPs (log-rank test 7.66; P=0.006), and Cox proportional hazards analysis showed HP as an independent predictor of TLR (hazard ratio, 5.98; 95% confidence interval, 1.72–20.82; P=0.005).Conclusions: In SAP patients, HPs had greater complexity of lesions and higher vulnerability, which may have contributed to the poorer post-PCI outcomes.
Universal nanocrystal formulation which can be applied to water-insoluble compounds was proposed and the criteria of its physicochemical properties as an active pharmaceutical ingredients (API) were ...investigated. Nanocrystal suspension was prepared by a wet-beads milling method. An acceptable Critical Quality Attributes (CQA) of nanocrystal suspension was defined by Z-average less than 500 nm and Polydispersity index (PDI) less than 0.3. Screening studies of dispersing and wetting agents were conducted using three model compounds in different pKa, melting points, etc., to find universal nanocrystal formulation. The effect of four structurally different polymer species (hydroxypropyl cellulose (HPC), hydoroxypropyl methylcellulose (HPMC), polyvinylpyrrolidone (PVP) and polyvinyl alcohol (PVA)) and their different grades or five different surfactants (docusate sodium (DOSS), sodium lauryl sulfate (SLS), cetyl trimethyl ammonium bromide (CTAB), polysolbate80 (PS80), and polyoxyethylene castor oil (CO-35)) were studied on the re-dispersion stability. It was found that the combination of 4% (w/v) HPC-SSL and 0.2% (w/v) DOSS was the most robust nanocrystal formulation owing to Z-average less than 200 nm and good re-dispersion stability without aggregates at pH 1.2 and pH 6.8. API physicochemical properties were also identified using ten water-insoluble compounds. Consequently, it was found that solubility (water, pH 1.2 and pH 6.8), molecular weight, hydrogen bonding acceptor and the ratio of log D7.4 to C Log P were critical factors.
For developing a scale-up method based on the kinematic and dynamic similarities of particle behavior, motion of particles in a commercial high shear mixer-granulator with different vessel sizes (2 ...to 112L) were simulated using a three-dimensional discrete element method (DEM). Effects of the vessel size on the internal particle flow and the particle collision energy were analyzed. It was found that under the constant impeller tip speed magnitude of the internal particle shear flow can be nearly maintained at different vessel sizes. This implies that the constant impeller tip speed should be employed to achieve the kinematic similarity when scaling-up the high shear mixer-granulator. However, under the constant impeller tip speed the cumulative particle collision energy per unit time significantly decreased with an increase in the vessel size. This suggests that in order to achieve the dynamic similarity the granulation time should be adjusted so that the cumulative particle collision energy over the granulation time can be maintained at different vessel sizes. Based on the simulation results, we proposed a scale-up method in which the optimal granulation time can be determined to achieve the same cumulative particle collision energy at different vessel sizes while maintaining the same impeller tip speed. This method can provide both the kinematic and dynamic similarities between different vessel sizes. Validity of the proposed scale-up method was confirmed by an experiment of wet-granulation using a commercial high shear mixer-granulator with different vessel sizes (2 to 216L).
Effects of the vessel size on the particle motion in a high-shear mixer granulator were analyzed using a DEM. Based on the simulation results, two constant rules for the successful scale-up were proposed: i.e., the constant impeller tip speed and the constant cumulative particle collision energy. The experimental results well supported validity of the proposed scale-up method. Display omitted
► DEM simulation of particle motion in a high shear mixer-granulator was conducted. ► Effects of the vessel size on the particle flow and collision energy were analyzed. ► The kinematic similarity can be maintained under the constant impeller tip speed. ► The dynamic similarity can be maintained by adjusting the granulation time. ► The experimental results supported validity of the proposed scale-up method.
Mobile phones used by healthcare workers (HCWs) are contaminated with bacteria, but the posterior surface of smartphones has rarely been studied. The aim of this study was to compare the prevalence ...of microbial contamination of touchscreens and posterior surfaces of smartphones owned by HCWs. A cross-sectional study of smartphones used by HCWs employed at two intensive care units at a Japanese tertiary care hospital was performed. Bacteria on each surface of the smartphones were isolated separately. The primary outcomes were the prevalence of microbial contamination on each surface of smartphones and associated bacterial species. Fisher's exact test was used to compare dichotomous outcomes. Eighty-four HCWs participated in this study. The touchscreen and posterior surface were contaminated in 27 (32.1%) and 39 (46.4%) smartphones, respectively, indicating that the posterior surface was more frequently contaminated (p = 0.041). Bacillus species and coagulase-negative staphylococci were isolated from each surface of the smartphones. The posterior surface of a smartphone was more significantly contaminated with bacteria than the touchscreen, regardless of having a cover. Therefore, routine cleaning of the posterior surface of a smartphone is recommended.
Celotno besedilo
Dostopno za:
DOBA, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
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