000164442 001__ 164442
000164442 005__ 20251203145551.0
000164442 037__ $$aTAZ-TFM-2025-086
000164442 041__ $$aeng
000164442 1001_ $$aAsensio Franco, Mario
000164442 24200 $$aDevelopment of algorithms for the analysis of experimental data obtained by equilibrium and time-resolved absorption spectroscopy
000164442 24500 $$aDesarrollo de algoritmos para el análisis de datos experimentales obtenidos mediante espectroscopía de absorción en equilibrio y resuelta en el tiempo
000164442 260__ $$aZaragoza$$bUniversidad de Zaragoza$$c2025
000164442 506__ $$aby-nc-sa$$bCreative Commons$$c3.0$$uhttp://creativecommons.org/licenses/by-nc-sa/3.0/
000164442 520__ $$aProteins in general, and enzymes in particular, are indispensable for supporting the development and reproduction of all forms of living beings. In addition to their key roles as biomolecules of life, scientists also investigate how to enhance their potential in biotechnological synthesis, bioremediation, or food industries as well as their biomedical applicability. Nonetheless, their rational use for those applications can only happen after a deep knowledge about their interplay with other molecules and the reactions occurring as a consequence of such interactions.<br />In this line, the main objective of this project is to develop software capable of analyzing experimental data generated by differential spectroscopy and multiwavelength time-resolved absorption spectroscopy using stopped-flow. Differential spectroscopy is useful for studying proteins because it captures subtle changes in absorbance of particular chromophores due to structural or environmental changes, allowing monitoring ligand binding and conformational changes. Multiwavelength time-resolved absorption spectroscopy using stopped-flow provides real-time kinetic data across multiple wavelengths, enabling researchers to study rapid reactions, identify intermediates and understand processes such as enzyme catalysis and ligand interactions. They offer information about protein/enzyme behavior and particular reaction mechanisms.<br />Currently, most of the software used to analyze results obtained from these techniques is mainly proprietary. This poses some issues: there is a license fee (which hinders their use in teaching), it is linked to the equipment manufacturer (generates dependence), the software is not open-source (it cannot be adapted to particular or evolving necessities) and tend to be not user-friendly.<br />Therefore, as an open-source alternative, three different software were here developed: DAIPProLi (Determination of Affinity of Interaction Parameters between Protein and Ligand), KiPaD (Kinetic Parameters Determination) and AKiPa (Analysis of Kinetic Parameters). DAIPProLi is aimed to analyze data from differential spectroscopy, whereas KiPaD and AKiPa are both aimed to analyze data from multiwavelength time-resolved absorption spectroscopy using stopped-flow. They are openly accessible to the community through the unizar-flav GitHub repository (https://github.com/unizar-flav).<br />All these tools display similar performance to that of proprietary software and solve the issues aforementioned. Furthermore, as they are open-source software, they allow students and young researchers to familiarize themselves with the numerical methods of analysis employed in the particular studied methodologies. The software produced here will be immediately used in practicums for students in the Informatics and Biophysics courses of the Biotechnology degree program at the University of Zaragoza in the coming years.<br /><br />
000164442 521__ $$aMáster Universitario en Biofísica y Biotecnología Cuantitativa / Master in Biophysics and Quantitative Biotechnology
000164442 540__ $$aDerechos regulados por licencia Creative Commons
000164442 691__ $$a0
000164442 692__ $$a
000164442 700__ $$aMedina Trullenque, María Milagros$$edir.
000164442 700__ $$aCiria Cosculluela, José Carlos$$edir.
000164442 7102_ $$aUniversidad de Zaragoza$$b $$c
000164442 8560_ $$f800897@unizar.es
000164442 8564_ $$s13668942$$uhttps://zaguan.unizar.es/record/164442/files/TAZ-TFM-2025-086.pdf$$yMemoria (eng)
000164442 909CO $$ooai:zaguan.unizar.es:164442$$pdriver$$ptrabajos-fin-master
000164442 950__ $$a
000164442 951__ $$adeposita:2025-12-03
000164442 980__ $$aTAZ$$bTFM$$cCIEN
000164442 999__ $$a20250129230154.CREATION_DATE