This study aims to develop a microscopic pedestrian behavior model considering various interactions on pedestrian dynamics at crosswalks. Particularly, we take into account the evasion behavior with counter-flow pedestrians, the following behavior with leader pedestrians, and the collision avoidance behavior with vehicles. Aerial video data at one intersection in Beijing, China are extracted for model calibration. A microscopic calibration approach based on maximum likelihood estimation is applied to estimate the parameters of a modified social force model. Finally, we validate step-wise speed, step-wise acceleration, step-wise direction change, crossing time and lane formation phenomenon by comparing the real data and simulation outputs.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5513439 | PMC |
http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0180992 | PLOS |
Langmuir
January 2025
Hubei Key Laboratory of Oil and Gas Exploration and Development Theory and Technology (China University of Geosciences), Wuhan 430074, China.
The strong solid-liquid interaction leads to the complicated occurrence characteristics of shale oil. However, the solid-liquid interface interaction and its controls of the occurrence state of shale oil are poorly understood on the molecular scale. In this work, the adsorption behavior and occurrence state of shale oil in pores of organic/inorganic matter under reservoir conditions were investigated by using grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations.
View Article and Find Full Text PDFAdv Colloid Interface Sci
January 2025
Pharmaceutical Sciences Laboratory, Faculty of Science and Engineering, Åbo Akademi University, Biocity (3rd fl.), Tykistökatu 6A, 20520 Turku, Finland; Turku Bioscience Centre, University of Turku and Åbo Akademi University, Biocity (5th fl.), Tykistökatu 6A, 20520 Turku, Finland. Electronic address:
In the realm of hybrid nanomaterials, the construction of core/shell nanoparticles offer an effective strategy for encompassing a particle by a polymeric or other suitable material, leading to a nanocomposite with distinct features within its structure. The polymer shell can be formed via nanoprecipitation, optimized by manipulating fluid flow, fluid mixing, modulating device features in microfluidics. In addition to the process optimization, success of polymer assembly in encapsulation strongly lies upon the favorable molecular interactions originating from the diverse chemical environment shared between core and shell materials facilitating formation of core/shell nanostructure.
View Article and Find Full Text PDFCurr Drug Deliv
January 2025
Department of Biopharmaceutical, Lishui University, 1 Xueyuan Road, Lishui, 323000, China.
Background: Overcoming the poor aqueous solubility of small-molecule drugs is a major challenge in developing clinical pharmaceuticals. Felodipine (FLDP), an L-type calcium calcium channel blocker, is a poorly water-soluble drug.
Objectives: The study aimed to explore the potential applications of polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol (Soluplus) stabilized amorphous dispersions for augmenting the oral delivery of poorly water-soluble drugs.
J Phys Chem B
January 2025
Department of Computational Sciences, School of Basic Sciences, Central University of Punjab, Bathinda 151401, India.
The effect of confinement on the tetrahedral ordering of liquid water plays a vital role in controlling their microscopic structure and dynamics as well as their spectroscopic properties. In this article, we have performed the classical molecular dynamics simulations of four different CTAB/water/chloroform reverse micelles with varied water content to study how the tetrahedral ordering of nanoscale water inside reverse micellar confinement influences the microscopic dynamics and the structural relaxation of water···water hydrogen bonds and its impact on the low-frequency intermolecular vibrational bands. We have noticed from the results obtained from simulated trajectories the lowering trends of tetrahedral ordering of water pools in reverse micellar confinements as we move from bulk to confined and strictly confined environments.
View Article and Find Full Text PDFBiomed Opt Express
January 2025
School of Optics and Photonics, Beijing Institute of Technology, Beijing 100081, China.
Radiation therapy (RT) is widely used for cancer treatment but is found with side effects of radiation dermatitis and fibrosis thereby calling for timely assessment. Nevertheless, current clinical assessment methods are found to be subjective, prone to bias, and accompanied by variability. There is, therefore, an unmet clinical need to explore a new assessment technique, ideally portable and affordable, making it accessible to less developed regions too.
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