Manifestation of Energy and Entropy of Particles in a Box

The energy and entropy, expressed in free energy, determine the behavior of a system. Therefore, infinite knowledge of these two quantities leads to precise prediction of the system's trajectories. Here, we study how the energy and entropy affect the distribution of a two-component system in a box. First, using a model, we intuitively show that large particles prefer to position at contact with the wall as it accompanies an increase of the system's entropy. We intuitively show that this is a consequence of maximizing the accessible states for fluctuating degrees of freedom as a portion of excluded volumes reside outside of the box when they locate near the wall. Then we employ molecular dynamics simulations to extract the effect of entropy and energy on the binary mixture distribution and how they compete with each other to determine the system's configuration. While particle-particle and particle-wall attraction energies affect the distribution of particles, we show that the emergent entropic forces --- quasi-gravitational --- have a significant contribution to the configuration of the system. This system is realized clearly for a binary mixture of hard spheres in a box with reflective walls.

The Carcinogenic Properties of Overlooked yet Prevalent Polycyclic Aromatic Hydrocarbons in Human Lung Epithelial Cells

The WHO classified air pollution as a human lung carcinogen and polycyclic aromatic hydrocarbons (PAHs) are components of both indoor (e.g., tobacco smoke and cookstoves) and outdoor (e.g., wildfires and industrial and vehicle emissions) air pollution, thus a human health concern. However, few studies have evaluated the adverse effects of low molecular weight (LMW) PAHs, the most abundant PAHs in the environment. We hypothesized that LMW PAHs combined with the carcinogenic PAH benzo[a]pyrene (B[a]P) act as co-carcinogens in human lung epithelial cell lines (BEAS-2B and A549). Therefore, in this paper, we evaluate several endpoints, such as micronuclei, gap junctional intercellular communication (GJIC) activity, cell cycle analysis, anti-BPDE-DNA adduct formation, and cytotoxicity after mixed exposures of LMW PAHs with B[a]P. The individual PAH doses used for each endpoint did not elicit cytotoxicity nor cell death and were relevant to human exposures. The addition of a binary mixture of LMW PAHs (fluoranthene and 1-methylanthracene) to B[a]P treated cells resulted in significant increases in micronuclei formation, dysregulation of GJIC, and changes in cell cycle as compared to cells treated with either B[a]P or the binary mixture alone. In addition, anti-BPDE-DNA adducts were significantly increased in human lung cells treated with B[a]P combined with the binary mixture of LMW PAHs as compared to cells treated with B[a]P alone, further supporting the increased co-carcinogenic potential by LMW PAHs. Collectively, these novel studies using LMW PAHs provide evidence of adverse pulmonary effects that should warrant further investigation.

Phenolics Profile, Antioxidant Activity and Flavor Volatiles of Pear Juice: Influence of Lactic Acid Fermentation Using Three Lactobacillus Strains in Monoculture and Binary Mixture

The aim of this study was to evaluate the effects of lactic acid fermentation using three Lactobacillus strains (Lactiplantibacillus plantarum 90, Lactobacillus helveticus 76, and Lacticaseibacillus casei 37) in monoculture and binary mixture on phenolics profile, antioxidant activity and flavor volatiles in pear juice. Results showed that the colony counts of binary mixture were higher than monoculture in fermented pear juice. The total content of phenols was increased, while that of flavonoids was decreased significantly during fermentation (p < 0.05). Antioxidant activities in fermented peer juice including DPPH and ABTS radical scavenging abilities and ferric reducing antioxidant power (FRAP) were significantly improved (p < 0.05). Binary mixture of Lactiplantibacillus plantarum 90 and Lacticaseibacillus casei 37 fermentation exhibited strong DPPH radical scavenging ability, due to the increase in vanillic acid and arbutin contents. Furthermore, lactic acid fermentation improved the formation of alcohols, esters, acids and terpenoids, and reduced the contents of aldehydes and ketones. Thirty new compounds including 15 alcohols, seven esters, five acids, and three terpenoids were observed in fermented pear juice. Hierarchical cluster revealed that flavor volatiles in pear juice were improved dramatically by Lactobacillus strains fermentation, and there were dramatic differences between monoculture and binary mixture.