scholarly journals Diffusion–reaction models of genipin incorporation into fibrin networks

2015 ◽  
Vol 3 (22) ◽  
pp. 4607-4615 ◽  
Author(s):  
Chi Ninh ◽  
Aimon Iftikhar ◽  
Madeline Cramer ◽  
Christopher J. Bettinger
Keyword(s):  
Controlled Release ◽  
Small Molecule ◽  
Diffusion Reaction ◽  
Forward Guidance ◽  
Naturally Occurring ◽  
Fibrin Networks ◽  
Reaction Models ◽  
Potential Applications

Genipin, a naturally occurring small molecule from gardenia plant, has potential applications as a compound to stabilize clots for many embolization strategies. This work uses a combination of data and predictive frameworks to provide forward guidance in designing controlled release strategies that use genipin for clot stabilization.

scholarly journals On a Robust and Efficient Numerical Scheme for the Simulation of Stationary 3-Component Systems with Non-Negative Species-Concentration with an Application to the Cu Deposition from a Cu-(β-alanine)-Electrolyte

Algorithms ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 113
Author(s):  
Stephan Daniel Schwoebel ◽  
Thomas Mehner ◽  
Thomas Lampke
Keyword(s):  
Augmented Lagrangian ◽  
Computation Time ◽  
Species Distributions ◽  
Chemical Processes ◽  
Diffusion Reaction ◽  
Augmented Lagrangian Methods ◽  
Major Question ◽  
Component Systems ◽  
Reaction Models ◽  
Reaction Equations

Three-component systems of diffusion–reaction equations play a central role in the modelling and simulation of chemical processes in engineering, electro-chemistry, physical chemistry, biology, population dynamics, etc. A major question in the simulation of three-component systems is how to guarantee non-negative species distributions in the model and how to calculate them effectively. Current numerical methods to enforce non-negative species distributions tend to be cost-intensive in terms of computation time and they are not robust for big rate constants of the considered reaction. In this article, a method, as a combination of homotopy methods, modern augmented Lagrangian methods, and adaptive FEMs is outlined to obtain a robust and efficient method to simulate diffusion–reaction models with non-negative concentrations. Although in this paper the convergence analysis is not described rigorously, multiple numerical examples as well as an application to elctro-deposition from an aqueous Cu2+-(β-alanine) electrolyte are presented.

scholarly journals Reliable Efficient Difference Methods for Random Heterogeneous Diffusion Reaction Models with a Finite Degree of Randomness

Mathematics ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 206
Author(s):  
María Consuelo Casabán ◽  
Rafael Company ◽  
Lucas Jódar
Keyword(s):  
Stochastic Process ◽  
Finite Difference ◽  
Coming Out ◽  
Finite Difference Methods ◽  
Diffusion Reaction ◽  
Finite Difference Schemes ◽  
Finite Degree ◽  
Mean Square Stability ◽  
Reaction Models ◽  
Difference Methods

This paper deals with the search for reliable efficient finite difference methods for the numerical solution of random heterogeneous diffusion reaction models with a finite degree of randomness. Efficiency appeals to the computational challenge in the random framework that requires not only the approximating stochastic process solution but also its expectation and variance. After studying positivity and conditional random mean square stability, the computation of the expectation and variance of the approximating stochastic process is not performed directly but through using a set of sampling finite difference schemes coming out by taking realizations of the random scheme and using Monte Carlo technique. Thus, the storage accumulation of symbolic expressions collapsing the approach is avoided keeping reliability. Results are simulated and a procedure for the numerical computation is given.

Synthesis, designing strategies and photocatalytic charge dynamics of Metal-Organic Frameworks (MOFs): A catalyzed Photo-degradation approach towards Organic Dyes

2021 ◽  
Author(s):  
Ayushi Singh ◽  
Ashish Kumar Singh ◽  
Jian-Qiang Liu ◽  
Abhinav Kumar
Keyword(s):  
Small Molecule ◽  
Coordination Polymers ◽  
Organic Dyes ◽  
Metal Organic Frameworks ◽  
Gas Storage ◽  
New Variety ◽  
Photo Degradation ◽  
Charge Dynamics ◽  
Potential Applications ◽  
Metal Organic

Metal-organic frameworks (MOFs) or coordination polymers (CPs) are regarded as new variety of materials that find potential applications in plethora of areas such as gas/small molecule absorption/separation, gas storage, membranes...

Polyamines: Naturally occurring small molecule modulators of electrostatic protein–protein interactions

2010 ◽  
Vol 104 (2) ◽  
pp. 118-125 ◽  
Author(s):  
Anja Berwanger ◽  
Susanne Eyrisch ◽  
Inge Schuster ◽  
Volkhard Helms ◽  
Rita Bernhardt
Keyword(s):  
Small Molecule ◽  
Protein Interactions ◽  
Protein Protein Interactions ◽  
Naturally Occurring ◽  
Small Molecule Modulators

A simple method for producing multiple copies of controlled release small molecule microarrays for cell-based screening

2016 ◽  
Vol 9 (1) ◽  
pp. 011001 ◽  
Author(s):  
Satoshi Fujita ◽  
Reiko Onuki-Nagasaki ◽  
Kenjiro Ikuta ◽  
Yusuke Hara
Keyword(s):  
Controlled Release ◽  
Small Molecule ◽  
Simple Method ◽  
Multiple Copies

scholarly journals Microscopic and continuum descriptions of Janus motor fluid flow fields

2016 ◽  
Vol 374 (2080) ◽  
pp. 20160140 ◽  
Author(s):  
Shang Yik Reigh ◽  
Mu-Jie Huang ◽  
Jeremy Schofield ◽  
Raymond Kapral
Keyword(s):  
Surrounding Medium ◽  
Continuum Theory ◽  
Spherical Geometry ◽  
Fluid Flows ◽  
Velocity Fields ◽  
Active Systems ◽  
Asymmetric Catalytic ◽  
Naturally Occurring ◽  
Potential Applications ◽  
Swimming Bacteria

Active media, whose constituents are able to move autonomously, display novel features that differ from those of equilibrium systems. In addition to naturally occurring active systems such as populations of swimming bacteria, active systems of synthetic self-propelled nanomotors have been developed. These synthetic systems are interesting because of their potential applications in a variety of fields. Janus particles, synthetic motors of spherical geometry with one hemisphere that catalyses the conversion of fuel to product and one non-catalytic hemisphere, can propel themselves in solution by self-diffusiophoresis. In this mechanism, the concentration gradient generated by the asymmetric catalytic activity leads to a force on the motor that induces fluid flows in the surrounding medium. These fluid flows are studied in detail through microscopic simulations of Janus motor motion and continuum theory. It is shown that continuum theory is able to capture many, but not all, features of the dynamics of the Janus motor and the velocity fields of the fluid. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’.

Recent advances in halloysite nanotube derived composites for water treatment

2016 ◽  
Vol 3 (1) ◽  
pp. 28-44 ◽  
Author(s):  
Liang Yu ◽  
Huixian Wang ◽  
Yatao Zhang ◽  
Bin Zhang ◽  
Jindun Liu
Keyword(s):  
Water Treatment ◽  
Clay Mineral ◽  
Halloysite Nanotubes ◽  
Halloysite Nanotube ◽  
Naturally Occurring ◽  
Recent Advances ◽  
Potential Applications

Halloysite nanotubes (HNTs) are naturally occurring clay mineral with nanotubular structures and have found increasing potential applications in industrial fields.

Characterization of Small Molecule Controlled Release From Silk Films

2012 ◽  
Vol 214 (2) ◽  
pp. 280-294 ◽  
Author(s):  
Daniel J. Hines ◽  
David L. Kaplan
Keyword(s):  
Controlled Release ◽  
Small Molecule ◽  
Silk Films
Sign in / Sign up

Export Citation Format

Share Document