Software Tools
Education is key to ongoing success of scientific discovery in this area. The Simon group uses its research activity to enhance and elevate the educational process for the scientists of tomorrow...the students enrolled in our high schools and universities. Software tools, using mathematical modeling, have been and are continuing to be developed to assist in this endeavor. The implementation of these tools will help create an environment where a symbiosis between practicality and fundamental knowledge becomes the norm and students will be able to devote more time understanding the relevancy of engineering in every day life.

 

 

Linear Mixed-Effects Models in Mathematica®

The codes are based on the book: "Mixed-Effects Models in S and S-Plus" written by José C. Pinheiro and Douglas M. Bates.

 

Mathematica® Source Codes Used in Articles

Source codes are provided below.
  • Simon, L. (2017), A Laplace transform-based technique for solving multiscale and multidomain problems: Application to a countercurrent hemodialyzer model, Computers in Biology and Medicine, In press. Timeconstants.nb

 

Transdermal Drug-Delivery Systems

The codes are developed to simulate drug transport across the skin.
  • Models of transdermal drug delivery - analytical and orthogonal collocations-based solutions: transderm.nb
  • Models of transdermal drug delivery - analytical and orthogonal collocation on finite elements (OCFE)-based solutions: transOCFE.nb

 

webMathematica Applications


webMathematica examples and applications are provided.
  • 2D graph (example introduced by Wolfram Research, Inc.): 2D Plotting
  • Analytical integration (example introduced by Wolfram Research, Inc.): Function integration
  • Drug transport across the skin: Drug released
  • Heat-aided transdermal drug delivery: Heat drug released
  • Iontophoretic drug transport across the skin: Ionto drug released
  • Two-pathway transdermal drug-delivery model: Two-pathway drug released
  • Two-compartment pharmacokinetic model with Michaelis-Menten kinetics (contribution by Kwangseok Kim, Ph.D. candidate): PhKin
  • Transdermal drug-delivery model - Epidermal turnover: Turnover
  • Optimum drug dosage regimen: Multiple iv boluses plus infusion (contribution by Kwangseok Kim, Ph.D. candidate): OptKin
  • In vitro drug release from microspheres (contribution by Kwangseok Kim, Ph.D. candidate): Microsphere
  • Estimation of one-compartment pharmacokinetic parameters (contribution by Kwangseok Kim, Ph.D. candidate): One-Compartment PhKin
  • Optimum drug dosage regimen in one-compartment models (constant dosing interval): Multiple iv boluses: Onephk
  • Optimum drug dosage regimen in one-compartment models (two treatment strategies are compared): Multiple iv boluses: Onephkkim1
  • Cylindrical matrix device with a release area (Simon, L and Ospina, J): cylind1
  • Two-dimensional drug transport across the skin (Simon, L and Ospina, J): twodim
  • Dissolving microneedles for transdermal drug delivery (contribution by Kwangseok Kim, Ph.D.): Microneedle
  • Dermal absorption and evaporation of chemical warfare agents in an aqueous solution (Simon, L., Lear, K. and Vedagiri, N.): Dynamic profiles

  • Dermal absorption of gas-phase chemical warfare agents (Fasina, F. and Simon, L.): Dermal absorption

  • Dermal absorption and evaporation of chemical warfare agents (cwa's) in an aqueous solution. The user can choose from a list of cwa's. (Simon, L., Lear, K. and Vedagiri, N.): Absorption and evaporation profiles

  • Dermal absorption of gas-phase chemical warfare agents (cwa's). The user can choose from a list of cwa's. (Simon, L., Vedagiri, N. and Awasthi, R.): Absorption profile

  • PBPK modeling of chemical warfare agents in the gaseous phase. (Simon, L., Fasina, F.): Blood / tissue concentration profiles

  • PBPK modeling of chemical warfare agents in the aqueous phase. (Simon, L., Fasina, F.): Blood / tissue concentration profiles

     

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