Abstract
This research paper deals with the problems associated with power compensation isothermal titration calorimetry. It is demonstrated that at processes, accompanied by large heat effects or/and slow kinetic processes, it is possible to obtain different values of enthalpies with different instruments and different setting parameters. Dynamic power compensation mode in modern calorimeters could namely lead to overcompensation of the heat effects, giving results which are strongly dependent on the chosen experimental parameters. In order to avoid these problems with modern instruments, first the check of a raw signal is proposed and in the case where the switching effect is observed, the experiments have to be carried out with low or disabled power compensation. In this way, the duration of experiments will be longer and the measuring range will be narrower, but the experimental results will be correct.
Similar content being viewed by others
References
Christensen JJ, Izatt RM, Hansen LD. New precision thermometric titration calorimeter. Rev Sci Instrum. 1965;36(6):779–83. https://doi.org/10.1063/1.1719702.
Christensen JJ, Izatt RM, Hansen LD, Partridge JA. Entropy titration: a calorimetric method for the determination of DG, DH, and DS from a single thermometric titration. J Phys Chem. 1966;70:2003–100. https://doi.org/10.1021/j100878a049.
Hansen LD, Fellingham GW, Russell DJ. Simultaneous determination of equilibrium constants and enthalpy changes by titration calorimetry: methods, instruments, and uncertainties. Anal Biochem. 2011;409(2):220–9. https://doi.org/10.1016/j.ab.2010.11.002.
Wiseman T, Williston S, Brandts JF, Lin L-N. Rapid measurement of binding constants and heats of binding using a new titration calorimeter. Anal Biochem. 1989;179:131–7. https://doi.org/10.1016/0003-2697(89)90213-3.
Freire E, Mayorga OL, Straume M. Isothermal titration. Anal Chem. 1990;62(18):950–9. https://doi.org/10.1021/ac00217a002.
Ladbury JE, Chowdhry BZ. Biocalorimetry: applications of calorimetry in the biological sciences. New York: Wiley; 1998.
Velazquez Campoy A, Freire E. ITC in the post-genomic era…? Priceless. Biophys Chem. 2005;115(2–3):115–24. https://doi.org/10.1016/j.bpc.2004.12.015.
Chaires JB. Energetics of drug–DNA interactions. Biopolymers. 1997;44(3):201–15. https://doi.org/10.1002/(SICI)1097-0282(1997)44:3%3c201:AID-BIP2%3e3.0.CO;2-Z.
Haq I. Thermodynamics of drug–DNA interactions. Arch Biochem Biophys. 2002;403:1–15. https://doi.org/10.1016/S0003-9861(02)00202-3.
Lah J, Vesnaver G. Energetic diversity of DNA minor-groove recognition by small molecules displayed through some model ligand-DNA systems. J Mol Biol. 2004;342(1):73–89. https://doi.org/10.1016/j.jmb.2004.07.005.
Ito W, Iba Y, Kurosawa Y. Effects of substitutions of closely related amino acids at the contact surface in an antigen–antibody complex on thermodynamic parameters. J Biol Chem. 1993;268(22):16639–47.
Ito W, Kurosawa Y. Development of an artificial antibody system with multiple valency using an Fv fragment fused to a fragment of protein A. J Biol Chem. 1993;268(27):20668–75.
Simic M, De Jonge N, Loris R, Vesnaver G, Lah J. Driving forces of gyrase recognition by the addiction toxin CcdB. J Biol Chem. 2009;284(30):20002–100. https://doi.org/10.1074/jbc.M109.014035.
De Jonge N, Simic M, Buts L, Haesaerts S, Roelants K, Garcia-Pino A, et al. Alternative interactions define gyrase specificity in the CcdB family. Mol Microbiol. 2012;84(5):965–78. https://doi.org/10.1111/j.1365-2958.2012.08069.x.
Hutchinson E, Manchester KE, Winslow L. Heats of solution of some alkyl sulfates in water. J Phys Chem. 1954;58(12):1124–7. https://doi.org/10.1021/j150522a016.
Goddard ED, Hoeve CAJ, Benson GC. Heats of micelle formation of paraffin chain salts in water. J Phys Chem. 1957;61(5):593–8. https://doi.org/10.1021/j150551a018.
Pilcher G, Jones MN, Espada L, Skinner HA. Enthalpy of micellization I. Sodium n-dodecylsulphate. J Chem Thermodyn. 1969;1:381–92. https://doi.org/10.1016/0021-9614(69)90068-8.
De Lisi R, Ostiguy C, Perron G, Desnoyers JE. Complete thermodynamic properties of nonyl- and decyltrimethylammonium bromides in water. J Colloid Interface Sci. 1979;71(1):147–66. https://doi.org/10.1016/0021-9797(79)90229-7.
Paredes S, Tribout M, Sepulveda L. Enthalpies of micellization of quaternary tetradecyl- and cetyltributyl ammonium. J Phys Chem. 1984;88:1871–5. https://doi.org/10.1021/j150653a040.
White P, Benson GC. The temperature variation of the heat of micellization of potassium octanoate in aqueous solutions. Trans Faraday Soc. 1959;55:1025–9. https://doi.org/10.1039/TF9595501025.
Desnoyers JE. Thermochemistry of aqueous micellar systems. Pure Appl Chem. 1980;52:433–44.
Bashford MT, Woolley EM. Enthalpies of dilution of aqueous decyl-, dodecyl-, tetradecyl-, and hexadecyltrlmethylammonium bromides at 10, 25, 40, and 55 °C. J Phys Chem. 1985;89:3173–9. https://doi.org/10.1021/j100260a044.
Bijma K, Engberts JBFN. Thermodynamics of micelle formation by 1-methyl-4-alkylpyridinium halides. Langmuir. 1994;10:2578–82. https://doi.org/10.1021/la00020a015.
Blandamer MJ, Cullis PM, Engberts JBFN. Titration microcalorimetry. J Chem Soc Faraday Trans. 1998;94:2261–7. https://doi.org/10.1039/A802370K.
Beyer K, Leine D, Blume A. The demicellization of alkyltrimethylammonium bromides in 01M sodium chloride solution studied by isothermal titration calorimetry. Colloids Surf B. 2006;49:31–9. https://doi.org/10.1016/j.colsurfb.2006.02.003.
Lah J, Bešter-Rogač M, Perger T-M, Vesnaver G. Energetics in correlation with structural features: the case of micellization. J Phys Chem B. 2006;110:23279–91. https://doi.org/10.1021/jp062796f.
Šarac B, Bešter-Rogač M. Temperature and Salt-induced micellization of dodecyltrimethylammonium chloride in aqueous solution: a thermodynamic study. J Colloid Interface Sci. 2009;338:216–21. https://doi.org/10.1016/j.jcis.2009.06.027.
Šarac B, Cerkovnik J, Ancian B, Mériguet G, Roger GM, Durand-Vidal S, et al. Thermodynamic and NMR study of aggregation of dodecyltrimethylammonium chloride in aqueous sodium salicylate solution. Colloid Polym Sci. 2011;289(14):1597–607. https://doi.org/10.1007/s00396-011-2480-2.
Medoš Ž, Bešter-Rogač M. Two-step micellization model: the case of long-chain carboxylates in water. Langmuir. 2017;33(31):7722–31. https://doi.org/10.1021/acs.langmuir.7b01700.
Šarac B, Medoš Ž, Cognigni A, Bica K, Chen L-J, Bešter-Rogač M. Thermodynamic study for micellization of imidazolium based surface active ionic liquids in water: effect of alkyl chain length and anions. Colloids Surf A. 2017;532:609–17. https://doi.org/10.1016/j.colsurfa.2017.01.062.
Čobanov I, Šarac B, Medoš Ž, Vraneš M, Gadžurić S, Zec N, et al. Effect of cationic structure of surface active ionic liquids on their micellization: a thermodynamic study. J Mol Liq. 2018;271:437–42. https://doi.org/10.1016/j.molliq.2018.08.152.
Vazquez-Tato MP, Meijide F, Seijas JA, Fraga F, Vazquez TJ. Analysis of an old controversy: the compensation temperature for micellization of surfactants. Adv Colloid Interface Sci. 2018;254:94–8. https://doi.org/10.1016/j.cis.2018.03.003.
Wadso L, Markova N. A double twin isothermal microcalorimeter. Thermochim Acta. 2000;360:101–7. https://doi.org/10.1016/S0040-6031(00)00574-8.
Baranauskiene L, Petrikaite V, Matuliene J, Matulis D. Titration calorimetry standards and the precision of isothermal titration calorimetry data. Int J Mol Sci. 2009;10(6):2752–62. https://doi.org/10.3390/ijms10062752.
Mizoue LS, Tellinghuisen J. The role of backlash in the "first injection anomaly" in isothermal titration calorimetry. Anal Biochem. 2004;326(1):125–7. https://doi.org/10.1016/j.ab.2003.10.048.
Tellinghuisen J. Volume errors in isothermal titration calorimetry. Anal Biochem. 2004;333(2):405–6. https://doi.org/10.1016/j.ab.2004.05.061.
Tellinghuisen J. Calibration in isothermal titration calorimetry: heat and cell volume from heat of dilution of NaCl(aq). Anal Biochem. 2007;360(1):47–55. https://doi.org/10.1016/j.ab.2006.10.015.
Tellinghuisen J. Optimizing experimental parameters in isothermal titration calorimetry: variable volume procedures. J Phys Chem B. 2007;111:11531–7. https://doi.org/10.1021/jp074515p.
Tellinghuisen J, Chodera JD. Systematic errors in isothermal titration calorimetry: concentrations and baselines. Anal Biochem. 2011;414(2):297–9. https://doi.org/10.1016/j.ab.2011.03.024.
Tellinghuisen J. Designing isothermal titration calorimetry experiments for the study of 1:1 binding: problems with the "standard protocol". Anal Biochem. 2012;424(2):211–20. https://doi.org/10.1016/j.ab.2011.12.035.
Tellinghuisen J. Analysis of multitemperature isothermal titration calorimetry data at very low c: global beats van't Hoff. Anal Biochem. 2016;513:43–6. https://doi.org/10.1016/j.ab.2016.08.024.
Tellinghuisen J. Optimizing isothermal titration calorimetry protocols for the study of 1:1 binding: keeping it simple. Biochim Biophys Acta. 2016;1860(5):861–7. https://doi.org/10.1016/j.bbagen.2015.10.011.
Linkuviene V, Krainer G, Chen WY, Matulis D. Isothermal titration calorimetry for drug design: precision of the enthalpy and binding constant measurements and comparison of the instruments. Anal Biochem. 2016;515:61–4. https://doi.org/10.1016/j.ab.2016.10.005.
Garcia-Fuentes L, Baron C, Mayorga OL. Influence of dynamic power compensation in an isothermal titration microcalorimeter. Anal Chem. 1998;70:4615–23. https://doi.org/10.1021/ac980203u.
Lah J, Pohar C, Vesnaver G. Calorimetric study of the micellization of alkylpyridinium and alkyltrimethylammonium bromides in water. J Phys Chem B. 2000;104(11):2522–6. https://doi.org/10.1021/jp9928614.
Kroflič A, Šarac B, Bešter-Rogač M. Thermodynamic characterization of 3-[(3-cholamidopropyl)-dimethylammonium]-1-propanesulfonate (chaps) micellization using isothermal titration calorimetry: temperature, salt, and pH dependence. Langmuir. 2012;28(28):10363–71. https://doi.org/10.1021/la302133q.
Medoš Ž, Plechkova NV, Friesen S, Buchner R, Bešter-Rogač M. Insight into the hydration of cationic surfactants: a thermodynamic and dielectric study of functionalized quaternary ammonium chlorides. Langmuir. 2019;35(10):3759–72. https://doi.org/10.1021/acs.langmuir.8b03993.
Instruction Manual for LKB 2277 thermal activity monitor. LKB Produkter AB. 1985.
Nano Isothermal Titration Calorimeter (Nano ITC): Getting Started Guide for Models 601000, 601001, 601002. TA Instruments—waters, LCC. 2014. Available from: https://biochem.wisc.edu/sites/default/files/equipment/manuals/tainstrumentsnanoitcusermanual.pdf. Accessed 28 Jan 2020
A Troubleshooting Guide for Isothermal Titration Calorimetry. MicroCal, LCC. 2008. Available from: https://www.chem.gla.ac.uk/staff/alanc/ITC-troubleshoot.pdf. Accessed 28 Jan 2020
Acknowledgements
Ž.M. is grateful to Slovenian Research Agency for the position of young researcher, enabling him the doctoral study. I.Č. would like to acknowledge the grant of The Public Scholarship, Development, Disability and Maintenance Fund of the Republic of Slovenia enabling her research work and doctoral studies at the University of Ljubljana. The work was supported by the Slovenian Research Agency through Grant No. P1-0201.
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Electronic supplementary material
Below is the link to the electronic supplementary material.
Rights and permissions
About this article
Cite this article
Medoš, Ž., Čobanov, I., Bešter-Rogač, M. et al. Usually overlooked problems related with measurements of high-heat effects using power compensation isothermal titration calorimetry. J Therm Anal Calorim 145, 87–96 (2021). https://doi.org/10.1007/s10973-020-09663-2
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10973-020-09663-2