Muti-user equipment approved in grant 2014/22136-4: isothermal titration calorimeter (ITC) for the determination of thermodynamic parameters of molecular interactions

• Grant number: 17/06394-1
• Support Opportunities: Multi-user Equipment Program
• Duration: July 01, 2017 - June 30, 2024
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Organic Chemistry
• Principal Investigator: Omar Abou El Seoud
• Grantee: Omar Abou El Seoud
• Host Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Associated research grant: 14/22136-4 - Use of green solvents and their mixtures for optimizing chemical processes, AP.TEM
• EMU web page: http://ca.iq.usp.br/novo/paginas_view.php?idPagina=51
• Type of equipment: Caracterização de Materiais - Propriedades Físicas - Térmicas (calorimetria)
• Manufacturer: Malvern MicoCal
• Model: VP-ITC

Abstract

The thermodynamic characterization of mixtures are crucial for understanding the interactions that occur therein. The isothermal titration calorimetry (ITC) is the method of choice to study chemical and biochemical interactions that involve change of enthalpy (most interactions are not thermos-neutral). Examples are reaction kinetics, association enzyme-substrate and formation of micellar aggregates. ITC permits the direct and precise determination of the enthalpy of the process under study (D Ho), eliminating the need of using the time-consuming van't Hoff treatment. The latter has no provision for the effect of temperature on the components of the system. A classic example is micelle formation where the values of (D Ho) calculated by both methods (ITC and van't Hoff) are different. The reason is that there is no provision in van't Hoff treatment for monomer dehydration and changes in the cation-anion association that accompanies the formation of the micellar aggregate. Other important examples of association, e.g., drug-receptor and enzyme-substrate ITC furnish the stoichiometry of association (n), the enthalpy, hence equilibrium constant of association (Ka) of the complex formed. The present project was originally submitted as a part of project 2014/22136-4 on optimization of solvent effects in chemical processes. The solvents investigated include ionic liquids (ILs) and molecular solvents (MSs). ITC data probes the interactions between the solvent components, and of these with the reagents. This is a multi-user equipment, meaning that the list of possible application is much larger than the specific examples listed above. (AU)

Scientific publications

(10)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

EL SEOUD, OMAR A.; KOSTAG, MARC; JEDVERT, KERSTIN; MALEK, NAVED I.. Cellulose in Ionic Liquids and Alkaline Solutions: Advances in the Mechanisms of Biopolymer Dissolution and Regeneration. POLYMERS, v. 11, n. 12, DEC 2019. (14/22136-4, 16/22869-7, 17/06394-1)

EL SEOUD, OMAR A.; KOSTAG, MARC; JEDVERT, KERSTIN; MALEK, NAVED I.. Cellulose Regeneration and Chemical Recycling: Closing the ``Cellulose Gap{''} Using Environmentally Benign Solvents. MACROMOLECULAR MATERIALS AND ENGINEERING, v. 305, n. 4, FEB 2020. (17/06394-1, 14/22136-4, 16/22869-7)

KOSTAG, MARC; JEDVERT, KERSTIN; EL SEOUD, OMAR A.. Engineering of sustainable biomaterial composites from cellulose and silk fibroin: Fundamentals and applications. International Journal of Biological Macromolecules, v. 167, p. 687-718, JAN 15 2021. (16/22869-7, 14/22136-4, 17/06394-1)

KEPPELER, NICOLAS; GALGANO, PAULA D.; SCHOENHOFF, MONIKA; MALEK, NAVED I.; EL SEOUD, OMAR A.. Effects of head-group volume on the thermodynamic parameters and species distribution of ionic liquid-based surfactants in water: 1-(n-hexadecyl)-3-alkylimidazolium bromides and chlorides. JOURNAL OF MOLECULAR LIQUIDS, v. 362, p. 10-pg., 2022-07-05. (14/22136-4, 17/06394-1)

KOSTAG, MARC; PIRES, PAULO A. R.; EL SEOUD, OMAR A.. Dependence of cellulose dissolution in quaternary ammonium acetates/DMSO on the molecular structure of the electrolyte: use of solvatochromism, micro-calorimetry, and molecular dynamics simulations. Cellulose, v. 27, n. 7, FEB 2020. (14/22136-4, 16/22869-7, 17/06394-1)

KOSTAG, MARC; EL SEOUD, OMAR A.. Sustainable biomaterials based on cellulose, chitin and chitosan composites - A review. CARBOHYDRATE POLYMER TECHNOLOGIES AND APPLICATIONS, v. 2, p. 13-pg., 2021-12-25. (14/22136-4, 17/06394-1, 16/22869-7)

EL SEOUD, OMAR A.; JEDVERT, KERSTIN; KOSTAG, MARC; POSSIDONIO, SHIRLEY. Cellulose, chitin and silk: the cornerstones of green composites. EMERGENT MATERIALS, NOV 2021. (16/22869-7, 17/06394-1)

DELECHIAVE, GIOVANNE; NAVES, ALLINY F.; KOLANTHAI, ELAYARAJA; DA SILVA, RUBENS A.; VLASMAN, RAPHAEL C.; PETRI, DENISE F. S.; TORRESI, ROBERTO M.; CATALANI, LUIZ H.. Tuning protein delivery from different architectures of layer-by-layer assemblies on polymer films. MATERIALS ADVANCES, v. 1, n. 6, p. 2043-2056, SEP 1 2020. (18/14532-8, 11/21442-6, 17/06394-1, 15/19694-8, 18/13492-2, 15/10009-0)

CARDOSO, MARCUS V. C.; RIVERA, JOSE D.; VITALE, PHELIPE A. M.; DEGENHARDT, MAXIMILIA F. S.; ABIKO, LAYARA A.; OLIVEIRA, CRISTIANO L. P.; SALINAS, ROBERTO K.. CALX-CBD1 Ca2+-Binding Cooperativity Studied by NMR Spectroscopy and ITC with Bayesian Statistics. BIOPHYSICAL JOURNAL, v. 119, n. 2, p. 337-348, JUL 21 2020. (09/53989-4, 18/21450-8, 17/05614-8, 16/17375-5, 16/07490-1, 17/06394-1)

KOSTAG, MARC; DIGNANI, MARCELLA TEIXEIRA; LOURENCO, MATHEUS COSTA; BIONI, THAIS DE ALMEIDA; EL SEOUD, OMAR A.. Assessing cellulose dissolution efficiency in solvent systems based on a robust experimental quantification protocol and enthalpy data. HOLZFORSCHUNG, v. 73, n. 12, p. 1103-1112, DEC 2019. (17/06394-1, 14/22136-4, 16/22869-7)