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THZCALORIMETRY SIGNED

Time Resolved THz Calorimetry explores Molecular Recognition Processes

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EC-Contrib. €

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Project "THZCALORIMETRY" data sheet

The following table provides information about the project.

Coordinator
RUHR-UNIVERSITAET BOCHUM 

Organization address
address: UNIVERSITAETSSTRASSE 150
city: BOCHUM
postcode: 44801
website: www.rub.de

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Total cost 2˙500˙000 €
 EC max contribution 2˙500˙000 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2015-AdG
 Funding Scheme ERC-ADG
 Starting year 2016
 Duration (year-month-day) from 2016-10-01   to  2021-09-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    RUHR-UNIVERSITAET BOCHUM DE (BOCHUM) coordinator 2˙100˙000.00
2    WEIZMANN INSTITUTE OF SCIENCE IL (REHOVOT) participant 400˙000.00

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 Project objective

Time-resolved THz-Calorimetry Explores Molecular Recognition Processes

Definition: “THz-calorimetry is the science of measuring low frequency density of states kinetics for the purpose of deriving the entropy changes associated with biological processes in real time.”

Goal: Our scientific vision is to introduce time-resolved “THz-Calorimetry” to access the entropy changes of the protein and the solvent accompanying enzymatic reactions or more general molecular recognition processes, i.e. under non-equilibrium conditions with envisioned time resolutions of nanoseconds. Advances in THz technology will make it possible to develop strong, ultrafast THz sources in the frequency range up to 10W that allow the detection of frequency-resolved transient low frequency spectra of biological samples with μsec or even nsec time resolution. We will correlate the transient THz spectra with changes in the entropy and enthalpy, both experimentally and theoretically. Ultrafast THz-calorimetry is an innovative tool to access to the specific transient entropy changes of molecular recognition processes under non-equilibrium conditions.

Objectives of the proposal: 1. Monitor transient low frequency spectra (0-300cm-1) during molecular recognition processes. 2. Develop cutting edge experimental methods which allow the separation of protein and solvent modes under ambient conditions. Determine Delta S(protein(t)), Delta S(ligand(t)), Delta S(solvent(t)), thus specify the role of changes in the solvent entropy (hydrophobic effect) for biomolecular recognition. 3. Apply ultrafast THz-calorimetry: Explore the entropy changes of the enzyme, the ligand and the solvent for a family of MMP enzymes and substrates and correlate these results with biological function. Deduce underlying molecular mechanisms. 4. Develop new models for molecular recognition processes which are quantitative and predictive.

 Publications

year authors and title journal last update
List of publications.
2017 Elena Decaneto, Tatiana Vasilevskaya, Yuri Kutin, Hideaki Ogata, Moran Grossman, Irit Sagi, Martina Havenith, Wolfgang Lubitz, Walter Thiel, Nicholas Cox
Solvent water interactions within the active site of the membrane type I matrix metalloproteinase
published pages: 30316-30331, ISSN: 1463-9076, DOI: 10.1039/c7cp05572b
Physical Chemistry Chemical Physics 19/45 2019-06-13
2017 Viren Pattni, Tatiana Vasilevskaya, Walter Thiel, Matthias Heyden
Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations
published pages: 7431-7442, ISSN: 1520-6106, DOI: 10.1021/acs.jpcb.7b03966
The Journal of Physical Chemistry B 121/31 2019-06-13
2016 Dalit Talmi-Frank, Zeev Altboum, Inna Solomonov, Yael Udi, Diego Adhemar Jaitin, Mordehay Klepfish, Eyal David, Alina Zhuravlev, Hadas Keren-Shaul, Deborah R. Winter, Irit Gat-Viks, Michal Mandelboim, Tamar Ziv, Ido Amit, Irit Sagi
Extracellular Matrix Proteolysis by MT1-MMP Contributes to Influenza-Related Tissue Damage and Mortality
published pages: 458-470, ISSN: 1931-3128, DOI: 10.1016/j.chom.2016.09.005
Cell Host & Microbe 20/4 2019-06-13
2017 Katsuyoshi Aoki, Janne Savolainen, Martina Havenith
Broadband terahertz pulse generation by optical rectification in GaP crystals
published pages: 201103, ISSN: 0003-6951, DOI: 10.1063/1.4983371
Applied Physics Letters 110/20 2019-06-13
2017 Rasmus A. X. Persson, Viren Pattni, Anurag Singh, Stefan M. Kast, Matthias Heyden
Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations
published pages: 4467-4481, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.7b00184
Journal of Chemical Theory and Computation 13/9 2019-06-13
2017 Valeria Conti Nibali, Giulia Morra, Martina Havenith, Giorgio Colombo
Role of Terahertz (THz) Fluctuations in the Allosteric Properties of the PDZ Domains
published pages: 10200-10208, ISSN: 1520-6106, DOI: 10.1021/acs.jpcb.7b06590
The Journal of Physical Chemistry B 121/44 2019-06-13
2017 Fabian Böhm, Gerhard Schwaab, Martina Havenith
Mapping Hydration Water around Alcohol Chains by THz Calorimetry
published pages: 9981-9985, ISSN: 1433-7851, DOI: 10.1002/anie.201612162
Angewandte Chemie International Edition 56/33 2019-06-13
2019 C. Hoberg, P. Balzerowski, M. Havenith
Integration of a rapid scanning technique into THz time-domain spectrometers for nonlinear THz spectroscopy measurements
published pages: 35348, ISSN: 2158-3226, DOI: 10.1063/1.5080653
AIP Advances 9/3 2019-06-05

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