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We study dynamics of a probe particle, which performs biased diffusive motion in a one-dimensional adsorbed monolayer of mobile hard-core particles undergoing continuous exchanges with a vapor phase. In terms of a mean-field-type approach,…

Statistical Mechanics · Physics 2015-06-25 O. Benichou , A. M. Cazabat , A. Lemarchand , M. Moreau , G. Oshanin

The effects of chemical disorder on the electronic and optical properties of semiconductor alloy multilayers are studied based on the tight-binding theory and single-site coherent potential approximation. Due to the quantum confinement of…

Mesoscale and Nanoscale Physics · Physics 2010-06-03 Alireza Saffarzadeh , Leili Gharaee

A pharmacological effect of a drug on cells, organs and systems refers to the specific biochemical interaction produced by a drug substance, which is called its mechanism of action. Drug repositioning (or drug repurposing) is a fundamental…

Machine Learning · Computer Science 2020-05-19 Dehua Chen , Amir Jalilifard , Adriano Veloso , Nivio Ziviani

The irreversible adsorption of polymers to a two-dimensional solid surface is studied. An operator formalism is introduced for chemisorption from a polydisperse solution of polymers which transforms the analysis of the adsorption process to…

Chemical Physics · Physics 2009-11-13 Radek Erban , Jonathan Chapman

Phenotype-based screening has attracted much attention for identifying cell-active compounds. Transcriptional and proteomic profiles of cell population or single cells are informative phenotypic measures of cellular responses to…

Quantitative Methods · Quantitative Biology 2023-11-20 Wei Huang , Aichun Zhu , Hui Liu

Design and characterisation of capsules is not an easy task owing to the multiple involved preparation factors and parameters. Here, a novel method to characterise capsule membrane permeability to solute molecules by an inverse approach is…

Medical Physics · Physics 2021-11-03 Clément Bielinski , Badr Kaoui

Drug delivery through electroporation could be highly beneficial for the treatment of different types of diseased tissues within the human body. In this work, a mathematical model of reversible tissue electroporation is presented for…

Functional Analysis · Mathematics 2022-08-03 Nilay Mondal , D. C. Dalal

We introduce a new nonlinear model for classification, in which we model the joint distribution of response variable, y, and covariates, x, non-parametrically using Dirichlet process mixtures. We keep the relationship between y and x linear…

Statistics Theory · Mathematics 2007-05-23 Babak Shahbaba , Radford M. Neal

We develop a mathematical model for adsorption based on averaging the flow around, and diffusion inside, adsorbent particles in a column. The model involves three coupled partial differential equations for the contaminant concentration both…

Other Condensed Matter · Physics 2023-11-20 Lucy C. Auton , Maria Aguareles , Abel Valverde , Timothy G. Myers , Marc Calvo-Schwarzwalder

Within the domain of molecular communications, researchers mimic the techniques in nature to come up with alternative communication methods for collaborating nanomachines. This work investigates the channel transfer function for molecular…

Information Theory · Computer Science 2014-04-18 H. Birkan Yilmaz , Akif Cem Heren , Tuna Tugcu , Chan-Byoung Chae

Nanoparticle drug carriers play an important role in facilitating efficient targeted drug delivery, i.e., improving treatment success and reducing drug costs and side effects. However, the mobility of nanoparticle drug carriers poses a…

Developing bioactive molecules remains a central, time- and cost-heavy challenge in drug discovery, particularly for novel targets lacking structural or functional data. Pharmacophore modeling presents an alternative for capturing the key…

Machine Learning · Computer Science 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Medication adherence is a well-known problem for pharmaceutical treatment of chronic diseases. Understanding how nonadherence affects treatment efficacy is made difficult by the ethics of clinical trials that force patients to skip doses of…

Quantitative Methods · Quantitative Biology 2021-12-30 Elijah D Counterman , Sean D Lawley

One of the important applications of molecular communication is the targeted drug delivery process in which the drug molecules are released toward the target (receiver) in a way that the side effects are minimized in the human body. As the…

Information Theory · Computer Science 2021-12-28 Roya Paridar , Nader Mokari , Eduard Jorswieck , Mohammad Reza Javan

Cross-sections of cell shapes in a tissue monolayer typically resemble a tiling of convex polygons. Yet, examples exist where the polygons are not convex with curved cell-cell interfaces, as seen in the adaxial epidermis. To date,…

Biological Physics · Physics 2024-06-21 Kyungeun Kim , J. M. Schwarz , Martine Ben Amar

High resolution spectra of quasar absorption systems provide the best constraints on temporal or spatial changes of fundamental constants in the early universe. An important systematic that has never before been quantified concerns model…

Cosmology and Nongalactic Astrophysics · Physics 2021-08-25 Chung-Chi Lee , John K. Webb , Dinko Milaković , Robert F. Carswell

Using a reference system approach, we develop an analytical theory for the adsorption of random heteropolymers with exponentially decaying and/or oscillating sequence correlations on planar homogeneous surfaces. We obtain a simple equation…

Soft Condensed Matter · Physics 2009-11-11 Alexey Polotsky , Friederike Schmid , Andreas Degenhard

We investigate theoretically the behavior of proteins as well as other large macromolecules which are incorporated into amphiphilic monolayers at the air-water interface. We assume the monolayer to be in the coexistence region of the…

Soft Condensed Matter · Physics 2007-05-23 R. R. Netz , D. Andelman , H. Orland

In this work we provide a first principles description of the electronic and optical properties of bilayers C$_3$N, with different stacking motifs AB, AB$'$ and AA$'$. Starting from quasi-particle electronic band-structures, we solve the…

One of the most significant barriers to medication treatment is patients' non-adherence to a prescribed medication regimen. The extent of the impact of poor adherence on resulting health measures is often unknown, and typical analyses…

Applications · Statistics 2018-12-04 Luis F. Campos , Mark E. Glickman , Kristen B. Hunter