Physical Sciences and Mathematics Commons^™

Combining Pharmacokinetics And Vibrational Spectroscopy: Mcr-Als Hard-And-Soft Modelling Of Drug Uptake In Vitro Using Tailored Kinetic Constraints, David Perez-Guaita, Guillermo Quintas, Zeineb Farhane, Roma Tauler, Hugh Byrne

Articles

Raman microspectroscopy is a label-free technique which is very suited for the investigation of pharmacokinetics of cellular uptake, mechanisms of interaction, and efficacies of drugs in vitro. However, the complexity of the spectra makes the identification of spectral patterns associated with the drug and subsequent cellular responses difficult. Indeed, multivariate methods that relate spectral features to the inoculation time do not normally take into account the kinetics involved, and important theoretical information which could assist in the elucidation of the relevant spectral signatures is excluded. Here, we propose the integration of kinetic equations in the modelling of drug uptake and …

Monitoring And Modelling The Dynamics Of The Cellular Glycolysis Pathway: A Review And Future Perspectives, Nitin Patil, Hugh Byrne, Orla L. Howe, Paul A. Cahill

Articles

Background

The dynamics of the cellular glycolysis pathway underpin cellular function and dysfunction, and therefore ultimately health, disease, diagnostic and therapeutic strategies. Evolving our understanding of this fundamental process and its dynamics remains critical.

Scope of review

This paper reviews the medical relevance of glycolytic pathway in depth and explores the current state of the art for monitoring and modelling the dynamics of the process. The future perspectives of label free, vibrational microspectroscopic techniques to overcome the limitations of the current approaches are considered.

Major conclusions

Vibrational microspectroscopic techniques can potentially operate in the niche area of limitations of other …

Quantification Of Copper Content With Laser Induced Breakdown Spectroscopy As A Potential Indicator Of Offal Adulteration In Beef, Maria Piedad Casado-Gavalda, Yash Dixit, David Geulen, Raquel Cama-Moncunill, Xavier Cama-Moncunill, Maria Markiewicz-Keszycka, Patrick J. Cullen, Carl Sullivan

Articles

Laser induced breakdown spectroscopy (LIBS) is an emerging technique in the field of food analysis which provides various advantages such as minimal sample preparation, chemical free, rapid detection, provision of spatial information and portability. In this study, LIBS was employed for quantitative analysis of copper content in minced beef samples spiked with beef liver over three independent batches. Copper content was determined with graphite furnace atomic absorption spectroscopy (GFAAS) in order to obtain reference values for modelling. Partial least square regression (PLSR) was performed to build a calibration and validation model. A calibration model with a high Rcv2 of 0.85 …

Quantification Of Rubidium As A Trace Element In Beef Using Laser Induced Breakdown Spectroscopy, Yash Dixit, Maria Piedad Casado-Gavalda, Raquel Cama-Moncunill, Xavier Cama-Moncunill, Patrick J. Cullen, Carl Sullivan

Articles

This study evaluates the potential of laser induced breakdown spectroscopy (LIBS) coupled with chemometrics to develop a quantification model for rubidium (Rb) in minced beef. A LIBSCAN 150 system was used to collect LIBS spectra of minced beef samples. Beef liver was used to spike the Rb levels in minced beef. All samples were dried, powdered and pelleted using a hydraulic press. Measurements were conducted by scanning 100 different locations with an automated XYZ sample chamber. Partial least squares regression (PLSR) was used to develop the calibration model, yielding a calibration coefficient of determination (Rc2) of 0.99 and a root …

Spectral Pre And Post Processing For Infrared And Raman Spectroscopy Of Biological Tissues And Cells, Hugh Byrne, Peter Knief, Mark Keating, Franck Bonnier

Articles

Vibrational Spectroscopy, both infrared absorption and Raman spectroscopy, have attracted increasing attention for biomedical applications, from in vivo and ex vivo disease diagnostics and screening, to in vitro screening of therapeutics. There remain, however, many challenges related to the accuracy of analysis of physically and chemically inhomogeneous samples, across heterogeneous sample sets. Data preprocessing is required to deal with variations in instrumental responses and intrinsic spectral backgrounds and distortions in order to extract reliable spectral data. Data postprocessing is required to extract the most reliable information from the sample sets, based on often very subtle changes in spectra associated with …