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We use density functional theory calculations to study simple but diverse stoichiometries within the novel chemical capacitor (CC) setup. We look at main effects occurring in this device, extremes of the physicochemical properties, and we…

Materials Science · Physics 2025-11-18 Łukasz Wolański , Dawid Ciszewski , Piotr Szkudlarek , José Lorenzana , Wojciech Grochala

We describe a general implementation of the Fynewever-Yethiraj density functional theory (DFT) for the investigation of nematic and cholesteric self-assembly in arbitrary solutions of semi-flexible polymers. The basic assumptions of the…

Soft Condensed Matter · Physics 2019-01-31 Maxime M. C. Tortora , Jonathan P. K. Doye

We consider a cell population structured by a positive real number, describing the number of P-glycoproteins carried by the cell. We are interested in the effect of those proteins on the growth of the population: those proteins are indeed…

Analysis of PDEs · Mathematics 2015-11-10 Pierre Magal , Gaël Raoul

In this paper, we address the development of a robotic rehabilitation system for the upper limbs based on collaborative end-effector solutions. The use of commercial collaborative robots offers significant advantages for this task, as they…

Robotics · Computer Science 2025-08-12 Dario Onfiani , Marco Caramaschi , Luigi Biagiotti , Fabio Pini

Most single-molecule studies derive the kinetic rates of native, intermediate, and unfolded states from equilibrium hopping experiments. Here, we apply Kramers kinetic diffusive model to derive the force-dependent kinetic rates of…

Soft Condensed Matter · Physics 2022-04-13 Marc Rico-Pasto , Anna Alemany , Felix Ritort

Nanoparticles functionalized with multiple ligands can be programmed to bind biological targets depending on the receptors they express, providing a general mechanism exploited in various technologies, from selective drug-delivery to…

Chemical Physics · Physics 2017-02-22 Stefano Angioletti-Uberti

As cells grow and divide under a given environment, they become crowded and resources are limited, as seen in bacterial biofilms and multicellular aggregates. These cells often show strong interactions through exchanging chemicals, as in…

Cell Behavior · Quantitative Biology 2017-02-08 Jumpei F Yamagishi , Nen Saito , Kunihiko Kaneko

The use of bacteria has been attractive to cancer researchers as drug delivery vehicle because motile bacteria are able to penetrate in tumors. In particular, the combination of therapeutic bacteria and conventional chemotherapy leads to…

Tissues and Organs · Quantitative Biology 2020-01-06 Hiroaki Shirai , Kosuke Tsukada

The last decade has witnessed a swiftly increasing interest in the design and production of novel multivalent molecules as powerful alternatives for conventional antibodies in the fight against cancer and infectious diseases. However, while…

Soft Condensed Matter · Physics 2019-08-23 Suman Saurabh , Francesco Piazza

Many cell functions are accomplished thanks to intracellular transport mechanisms of macromolecules along filaments. Molecular motors such as dynein or kinesin are proteins playing a primary role in these processes. The behavior of such…

Chaotic Dynamics · Physics 2010-12-21 Donatello Materassi , Subhrajit Roychowdhury , Murti V. Salapaka

The concept of personalised medicine in cancer therapy is becoming increasingly important. There already exist drugs administered specifically for patients with tumours presenting well-defined mutations. However, the field is still in its…

Biomolecules · Quantitative Biology 2024-08-26 Abbi Abdel-Rehim , Oghenejokpeme Orhobor , Gareth Griffiths , Larisa Soldatova , Ross D. King

Multivalent binding employs multiple simultaneous supramolecular interactions, increasing avidity and selectivity compared with monovalent binding. While equilibrium aspects of multivalency are well characterized, non-equilibrium behavior…

Soft Condensed Matter · Physics 2026-05-27 Vid Ravnik , Baptiste Chabaud , Urban Bren , Galina V. Dubacheva , Tine Curk

Chemotherapy is one of the primary modalities of cancer treatment. Chemotherapy drug administration is a complex problem that often requires expensive clinical trials to evaluate potential regimens. One way to alleviate this burden and…

Optimization and Control · Mathematics 2021-11-04 Temitayo Ajayi , Seyedmohammadhossein Hosseinian , Andrew J. Schaefer , Clifton D. Fuller

Adaptive therapy is a recent paradigm in cancer treatment aiming at indefinite, safe containment of the disease when cure is judged unattainable. In modeling this approach, inherent limitations arise due to the structure of the vector…

Dynamical Systems · Mathematics 2025-03-20 Frederik J. Thomsen , Johan L. A. Dubbeldam

Systemic drug administration often causes off-target effects limiting the efficacy of advanced therapies. Targeted drug delivery approaches increase local drug concentrations at the diseased site while minimizing systemic drug exposure. We…

A cell dynamics method for domain separation of diblock copolymers (DBCPs) interacting with nanoparticles (NPs) whose diffusion coefficients depend on chain configuration is proposed for self-assembly of DBCP/NP composites. Increasing NP…

Materials Science · Physics 2009-04-02 Fabio D. A. Aarao Reis

This paper describes a design of a molecular propagation system in molecular communication. Molecular communication is a new communication paradigm where biological and artificially-created nanomachines communicate over a short distance…

Biological Physics · Physics 2007-08-15 Satoshi Hiyama , Y. Isogawa , T. Suda , Y. Moritani , Kazuo Sutoh

The most important function of proteins may well be to bind to other biomolecules. It has long been felt that kinetic rates of bond formation and dissociation between soluble receptors and ligands might account for most features of the…

Biological Physics · Physics 2008-09-12 Anne Pierres , Joana Vitte , Anne-Marie Benoliel , Pierre Bongrand

Compartmentalization into biochemically distinct organelles constantly exchanging material is one of the hallmarks of eukaryotic cells. In the most naive picture of inter-organelle transport driven by concentration gradients, concentration…

Subcellular Processes · Quantitative Biology 2015-05-27 Serge Dmitrieff , Pierre Sens

In this letter, we present anti-cancer drug delivery strategies using knowledges obtained from our recent studies. We have conducted inverse analyses of "density distributions of colloidal particles near a focused surface" and "pair…

Soft Condensed Matter · Physics 2023-04-18 Ken-ichi Amano , Takumi Otake