We analyze from a theoretical perspective recent experiments where chiral discrimination in biological systems was established using Atomic Force Microscopy (AFM). Even though intermolecular forces involved in AFM measurements have different origins, i.e., electrostatic, bonding, exchange, and multipole interactions, the key molecular forces involved in enantiospecific biorecognition are electronic spin exchange and van der Waals (vdW) dispersion forces, which are sensitive to spin–orbit interaction (SOI) and space-inversion symmetry breaking in chiral molecules. The vdW contribution to chiral discrimination emerges from the inclusion of SOI and spin fluctuations due to the chiral-induced selectivity effect, a result we have recently demonstrated theoretically. Considering these two enantiospecific contributions, we show that the AFM results regarding chiral recognition can be understood in terms of a simple physical model that describes the different adhesion forces associated with different electron spin polarization generated in the (DD), (LL), and (DL) enantiomeric pairs, as arising from the spin part of the exchange and vdW contributions. The model can successfully produce physically reasonable parameters accounting for the vdW and exchange interaction strength, accounting for the chiral discrimination effect. This fact has profound implications in biorecognition where the relevant intermolecular interactions in the intermediate-distance regime are clearly connected to vdW forces.
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14 December 2023
Research Article|
December 08 2023
Probing chiral discrimination in biological systems using atomic force microscopy: The role of van der Waals and exchange interactions
Special Collection:
Chiral Induced Spin Selectivity
Yael Kapon
;
Yael Kapon
(Investigation, Writing – review & editing)
1
Institute of Applied Physics, Faculty of Science, The Hebrew University of Jerusalem
, Jerusalem 9190401, Israel
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Qirong Zhu
;
Qirong Zhu
(Investigation, Writing – review & editing)
2
Department of Chemical and Biological Physics, Weizmann Institute of Science
, Rehovot 76100, Israel
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Shira Yochelis
;
Shira Yochelis
(Investigation, Writing – review & editing)
1
Institute of Applied Physics, Faculty of Science, The Hebrew University of Jerusalem
, Jerusalem 9190401, Israel
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Ron Naaman
;
Ron Naaman
(Conceptualization, Writing – review & editing)
2
Department of Chemical and Biological Physics, Weizmann Institute of Science
, Rehovot 76100, Israel
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Rafael Gutierrez
;
Rafael Gutierrez
(Conceptualization, Writing – review & editing)
3
Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology
, 01062 Dresden, Germany
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Giannaurelio Cuniberti
;
Giannaurelio Cuniberti
(Writing – review & editing)
3
Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology
, 01062 Dresden, Germany
4
Dresden Center for Computational Materials Science
, 01062 Dresden, Germany
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Yossi Paltiel
;
Yossi Paltiel
(Conceptualization, Writing – review & editing)
1
Institute of Applied Physics, Faculty of Science, The Hebrew University of Jerusalem
, Jerusalem 9190401, Israel
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Vladimiro Mujica
Vladimiro Mujica
a)
(Conceptualization, Writing – original draft, Writing – review & editing)
5
Arizona State University, School of Molecular Sciences
, P.O. Box 871604, Tempe, Arizona 85287-1604, USA
a)Author to whom correspondence should be addressed: [email protected]
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a)Author to whom correspondence should be addressed: [email protected]
J. Chem. Phys. 159, 224702 (2023)
Article history
Received:
August 10 2023
Accepted:
November 15 2023
Citation
Yael Kapon, Qirong Zhu, Shira Yochelis, Ron Naaman, Rafael Gutierrez, Giannaurelio Cuniberti, Yossi Paltiel, Vladimiro Mujica; Probing chiral discrimination in biological systems using atomic force microscopy: The role of van der Waals and exchange interactions. J. Chem. Phys. 14 December 2023; 159 (22): 224702. https://doi.org/10.1063/5.0171742
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