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PyAutoFEP: An automatic Totally free Energy Perturbation Work-flow with regard to GROMACS Integrating Superior Sample Strategies.
Recent research has suggested that numeral order processing - the speed and accuracy with which individuals can determine whether a set of digits is in numerical order or not - is related to arithmetic and mathematics outcomes. It has therefore been proposed that ordinal relations are a fundamental property of symbolic numeral representations. However, order information is also inherent in the verbal count sequence, and thus verbal count sequence knowledge may instead explain the relationship between performance on numeral order tasks and arithmetic. We explored this question with 62 children aged 6- to 8-years-old. We found that performance on a verbal count sequence knowledge task explained the relationship between numeral order processing and arithmetic. Moreover many children appeared to explicitly base their judgments of numerical order on count sequence information. This suggests that insufficient attention may have been paid to verbal number knowledge in understanding the sources of information that give meaning to numbers.Parabens (PBs) are widely used as preservatives in food, pharmaceuticals and personal care products (PCPs). Due to their potential characteristics, similar to endocrine-disrupting compounds, their safety in our daily products and frequent exposure to human health have become public concerns. Nevertheless, little information is available about the occurrence of PBs in outdoor environments and their implications for human exposure. In this study, seven pairs of gas- and particle-phase air samples and 48 soil samples from Harbin City, China, were collected for the analysis of eight typical PBs (including methyl-paraben, ethyl-paraben, propyl-paraben, isopropyl-paraben, butyl-paraben, isobutyl-paraben, benzyl-paraben, and heptyl-paraben), which have been frequently selected as target compounds in previous studies. Concentrations of ∑8PBs in outdoor air samples were 253-1540 pg/m3 with a median of 555 pg/m3. The results of the gas-particle partitioning indicated that PBs had not reached equilibrium between the gas phase and particle phase. Concentrations of ∑8PBs in the soil samples were less then LOQ-5530 ng/kg dw. Higher concentrations of PBs were observed in soils from commercial and residential areas with extensive anthropogenic activities. Based on the inhalation rate of air and ingestion rate of soil, the estimated daily intake (EDI) was calculated. The EDI values (EDIair + EDIsoil) for male adults, female adults and children were comparable, with mean values of 2.74 × 10-2, 3.21 × 10-2 and 2.70 × 10-2 ng/kg-bw/day, respectively. All EDIs were much lower than the daily acceptable intake, indicating lower health risk with PB occurrence in outdoor environments. Finally, the total EDI from all external exposure routes (outdoor air, indoor air, soil, indoor dust, foodstuffs, pharmaceuticals and PCPs) was calculated for the first time. selleck The total EDI was not consistent with that of the internal exposure, which provided new insight into future studies for human exposure assessment.In roadside environments, commuters are exposed to a high level of traffic-related pollution. Despite vegetation is often used to mitigate air pollution in road environments, its air quality impacts are complex and could be both positive or negative depending on specific conditions. This study conducted field measurements to assess the air quality impacts of roadside vegetation. Three common street vegetation configurations (dense vegetation, porous vegetation, and clearing) were selected and the concentrations of size-resolved particles and black carbon were measured. Results show that dense vegetation formed an accumulation area of particle pollutants on the sidewalk and bikeway, which was attributable to the increased deposition of pollutants. Compared with porous vegetation, the increase in particle concentrations before dense vegetation was 0-35% on the sidewalk (closer to vegetation) and 0-6% on the bikeway. Due to high homogeneity, fine particles (0.3-1 μm) showed low variability among different sample points, while coarse particles (>1 μm) showed high variability and presented a significant increase in concentration before dense vegetation. Porous vegetation showed weak interception effects on pollutants, and the particle concentrations before porous vegetation were close to those in the clearing. The horizontal decay of particle concentrations in porous and dense vegetation showed that particle pollutants were difficult to penetrate dense vegetation, which concentrations of particles presented a pronounced increase in the front part (0-5 m) of dense vegetation but also showed a large drop across it. These results suggest that vegetation serves as a good filter to clean the air and could improve the air quality away from the vegetation but could also worsen the air quality close to the vegetation. This study provides an insight into the environmental impacts of roadside vegetation, which could have practical implications in air pollution abatement.Artificial light is transforming the nighttime environment and quickly becoming one of the most pervasive pollutants on earth. Across taxa, light entrains endogenous circadian clocks that function to synchronize behavioral and physiological rhythms with natural photoperiod. Artificial light at night (ALAN) disrupts these photoperiodic cues and has consequences for humans and wildlife including sleep disruption, physiological stress and increased risk of cardiovascular disease. However, the mechanisms underlying organismal responses to dim ALAN, resembling light pollution, remain elusive. Light pollution exists in the environment at lower levels ( less then 5 lux) than tested in many laboratory studies that link ALAN to circadian rhythm disruption. Few studies have linked dim ALAN to both the upstream regulators of circadian rhythms and downstream behavioral and physiological consequences. We exposed zebra finches (Taeniopygia gutatta) to dim ALAN (1.5 lux) and measured circadian expression of five pacemaker genes in central and peripheral tissues, plasma melatonin, locomotor activity, and biomarkers of cardiovascular health. ALAN caused an increase in nighttime activity and, for males, cardiac hypertrophy. Moreover, downstream effects were detectable after just short duration exposure (10 days) and at dim levels that mimic the intensity of environmental light pollution. However, ALAN did not affect circulating melatonin nor oscillations of circadian gene expression in the central clock (brain) or liver. These findings suggest that dim ALAN can alter behavior and physiology without strong shifts in the rhythmic expression of molecular circadian pacemakers. Approaches that focus on ecologically-relevant ALAN and link complex biological pathways are necessary to understand the mechanisms underlying vertebrate responses to light pollution.
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