---
OA_place: repository
OA_type: green
_id: '17868'
abstract:
- lang: eng
  text: Reversed conductance decay describes increasing conductance of a molecular
    chain series with increasing chain length. Realizing reversed conductance decay
    is an important step toward making long and highly conducting molecular wires.
    Recent work has shown that one-dimensional topological insulators (1D TIs) can
    exhibit reversed conductance decay due to their nontrivial edge states. The Su–Schrieffer–Heeger
    (SSH) model for 1D TIs relates to the electronic structure of these isolated molecules
    but not their electron transport properties as single-molecule junctions. Herein,
    we use a tight-binding approach to demonstrate that polyacetylene and other diradicaloid
    1D TIs show a reversed conductance decay at the short chain limit. We explain
    these conductance trends by analyzing the impact of the edge states in these 1D
    systems on the single-molecule junction transmission. Additionally, we discuss
    how the self-energy from the electrode-molecule coupling and the on-site energy
    of the edge sites can be tuned to create longer wires with reversed conductance
    decays.
article_processing_charge: No
article_type: original
author:
- first_name: Liang
  full_name: Li, Liang
  last_name: Li
- first_name: Suman
  full_name: Gunasekaran, Suman
  last_name: Gunasekaran
- first_name: Yujing
  full_name: Wei, Yujing
  last_name: Wei
- first_name: Colin
  full_name: Nuckolls, Colin
  last_name: Nuckolls
- first_name: Latha
  full_name: Venkataraman, Latha
  id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
  last_name: Venkataraman
  orcid: 0000-0002-6957-6089
citation:
  ama: Li L, Gunasekaran S, Wei Y, Nuckolls C, Venkataraman L. Reversed conductance
    decay of 1D topological insulators by tight-binding analysis. <i>The Journal of
    Physical Chemistry Letters</i>. 2022;13(41):9703-9710. doi:<a href="https://doi.org/10.1021/acs.jpclett.2c02812">10.1021/acs.jpclett.2c02812</a>
  apa: Li, L., Gunasekaran, S., Wei, Y., Nuckolls, C., &#38; Venkataraman, L. (2022).
    Reversed conductance decay of 1D topological insulators by tight-binding analysis.
    <i>The Journal of Physical Chemistry Letters</i>. American Chemical Society. <a
    href="https://doi.org/10.1021/acs.jpclett.2c02812">https://doi.org/10.1021/acs.jpclett.2c02812</a>
  chicago: Li, Liang, Suman Gunasekaran, Yujing Wei, Colin Nuckolls, and Latha Venkataraman.
    “Reversed Conductance Decay of 1D Topological Insulators by Tight-Binding Analysis.”
    <i>The Journal of Physical Chemistry Letters</i>. American Chemical Society, 2022.
    <a href="https://doi.org/10.1021/acs.jpclett.2c02812">https://doi.org/10.1021/acs.jpclett.2c02812</a>.
  ieee: L. Li, S. Gunasekaran, Y. Wei, C. Nuckolls, and L. Venkataraman, “Reversed
    conductance decay of 1D topological insulators by tight-binding analysis,” <i>The
    Journal of Physical Chemistry Letters</i>, vol. 13, no. 41. American Chemical
    Society, pp. 9703–9710, 2022.
  ista: Li L, Gunasekaran S, Wei Y, Nuckolls C, Venkataraman L. 2022. Reversed conductance
    decay of 1D topological insulators by tight-binding analysis. The Journal of Physical
    Chemistry Letters. 13(41), 9703–9710.
  mla: Li, Liang, et al. “Reversed Conductance Decay of 1D Topological Insulators
    by Tight-Binding Analysis.” <i>The Journal of Physical Chemistry Letters</i>,
    vol. 13, no. 41, American Chemical Society, 2022, pp. 9703–10, doi:<a href="https://doi.org/10.1021/acs.jpclett.2c02812">10.1021/acs.jpclett.2c02812</a>.
  short: L. Li, S. Gunasekaran, Y. Wei, C. Nuckolls, L. Venkataraman, The Journal
    of Physical Chemistry Letters 13 (2022) 9703–9710.
date_created: 2024-09-06T13:02:46Z
date_published: 2022-10-11T00:00:00Z
date_updated: 2024-12-10T09:21:49Z
day: '11'
doi: 10.1021/acs.jpclett.2c02812
extern: '1'
external_id:
  pmid:
  - '36219846'
fulldoi: https://doi.org/10.1021/acs.jpclett.2c02812
intvolume: '        13'
issue: '41'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.26434/chemrxiv-2022-b1fh9-v3
month: '10'
oa: 1
oa_version: Preprint
page: 9703-9710
pmid: 1
publication: The Journal of Physical Chemistry Letters
publication_identifier:
  issn:
  - 1948-7185
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Reversed conductance decay of 1D topological insulators by tight-binding analysis
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2022'
...
---
OA_type: closed access
_id: '17876'
abstract:
- lang: eng
  text: The scanning tunneling microscope-based break-junction (STM-BJ) technique
    is the most common method used to study the electronic properties of single-molecule
    junctions. It relies on repeatedly forming and rupturing a Au contact in an environment
    of the target molecules. The probability of junction formation is typically very
    high (∼70–95%), prompting questions relating to how the nanoscale structure of
    the Au electrode before the metal point contact ruptures alters junction formation.
    Here we analyze conductance traces measured with the STM-BJ setup by combining
    correlation analysis and multiple machine learning tools, including gradient-boosted
    trees and neural networks. We show that two key features describing the Au–Au
    contact prior to rupture determine the extent of contact relaxation (snapback)
    and the probability of junction formation. Importantly, our data strongly indicate
    that molecular junctions are formed prior to the rupture of the Au–Au contact,
    explaining the high probability of junction formation observed in room-temperature
    solution measurements.
article_processing_charge: No
article_type: original
author:
- first_name: Tianren
  full_name: Fu, Tianren
  last_name: Fu
- first_name: Kathleen
  full_name: Frommer, Kathleen
  last_name: Frommer
- first_name: Colin
  full_name: Nuckolls, Colin
  last_name: Nuckolls
- first_name: Latha
  full_name: Venkataraman, Latha
  id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
  last_name: Venkataraman
  orcid: 0000-0002-6957-6089
citation:
  ama: Fu T, Frommer K, Nuckolls C, Venkataraman L. Single-molecule junction formation
    in break-junction measurements. <i>The Journal of Physical Chemistry Letters</i>.
    2021;12(44):10802-10807. doi:<a href="https://doi.org/10.1021/acs.jpclett.1c03160">10.1021/acs.jpclett.1c03160</a>
  apa: Fu, T., Frommer, K., Nuckolls, C., &#38; Venkataraman, L. (2021). Single-molecule
    junction formation in break-junction measurements. <i>The Journal of Physical
    Chemistry Letters</i>. American Chemical Society. <a href="https://doi.org/10.1021/acs.jpclett.1c03160">https://doi.org/10.1021/acs.jpclett.1c03160</a>
  chicago: Fu, Tianren, Kathleen Frommer, Colin Nuckolls, and Latha Venkataraman.
    “Single-Molecule Junction Formation in Break-Junction Measurements.” <i>The Journal
    of Physical Chemistry Letters</i>. American Chemical Society, 2021. <a href="https://doi.org/10.1021/acs.jpclett.1c03160">https://doi.org/10.1021/acs.jpclett.1c03160</a>.
  ieee: T. Fu, K. Frommer, C. Nuckolls, and L. Venkataraman, “Single-molecule junction
    formation in break-junction measurements,” <i>The Journal of Physical Chemistry
    Letters</i>, vol. 12, no. 44. American Chemical Society, pp. 10802–10807, 2021.
  ista: Fu T, Frommer K, Nuckolls C, Venkataraman L. 2021. Single-molecule junction
    formation in break-junction measurements. The Journal of Physical Chemistry Letters.
    12(44), 10802–10807.
  mla: Fu, Tianren, et al. “Single-Molecule Junction Formation in Break-Junction Measurements.”
    <i>The Journal of Physical Chemistry Letters</i>, vol. 12, no. 44, American Chemical
    Society, 2021, pp. 10802–07, doi:<a href="https://doi.org/10.1021/acs.jpclett.1c03160">10.1021/acs.jpclett.1c03160</a>.
  short: T. Fu, K. Frommer, C. Nuckolls, L. Venkataraman, The Journal of Physical
    Chemistry Letters 12 (2021) 10802–10807.
date_created: 2024-09-06T13:10:30Z
date_published: 2021-11-01T00:00:00Z
date_updated: 2024-12-10T10:03:05Z
day: '01'
doi: 10.1021/acs.jpclett.1c03160
extern: '1'
external_id:
  pmid:
  - '34723548'
fulldoi: https://doi.org/10.1021/acs.jpclett.1c03160
intvolume: '        12'
issue: '44'
language:
- iso: eng
month: '11'
oa_version: None
page: 10802-10807
pmid: 1
publication: The Journal of Physical Chemistry Letters
publication_identifier:
  issn:
  - 1948-7185
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Single-molecule junction formation in break-junction measurements
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2021'
...
---
_id: '8443'
abstract:
- lang: eng
  text: Characterizing the structure of membrane proteins (MPs) generally requires
    extraction from their native environment, most commonly with detergents. Yet,
    the physicochemical properties of detergent micelles and lipid bilayers differ
    markedly and could alter the structural organization of MPs, albeit without general
    rules. Dodecylphosphocholine (DPC) is the most widely used detergent for MP structure
    determination by NMR, but the physiological relevance of several prominent structures
    has been questioned, though indirectly, by other biophysical techniques, e.g.,
    functional/thermostability assay (TSA) and molecular dynamics (MD) simulations.
    Here, we resolve unambiguously this controversy by probing the functional relevance
    of three different mitochondrial carriers (MCs) in DPC at the atomic level, using
    an exhaustive set of solution-NMR experiments, complemented by functional/TSA
    and MD data. Our results provide atomic-level insight into the structure, substrate
    interaction and dynamics of the detergent–membrane protein complexes and demonstrates
    cogently that, while high-resolution NMR signals can be obtained for MCs in DPC,
    they systematically correspond to nonfunctional states.
article_processing_charge: No
article_type: original
author:
- first_name: Vilius
  full_name: Kurauskas, Vilius
  last_name: Kurauskas
- first_name: Audrey
  full_name: Hessel, Audrey
  last_name: Hessel
- first_name: Peixiang
  full_name: Ma, Peixiang
  last_name: Ma
- first_name: Paola
  full_name: Lunetti, Paola
  last_name: Lunetti
- first_name: Katharina
  full_name: Weinhäupl, Katharina
  last_name: Weinhäupl
- first_name: Lionel
  full_name: Imbert, Lionel
  last_name: Imbert
- first_name: Bernhard
  full_name: Brutscher, Bernhard
  last_name: Brutscher
- first_name: Martin S.
  full_name: King, Martin S.
  last_name: King
- first_name: Rémy
  full_name: Sounier, Rémy
  last_name: Sounier
- first_name: Vincenza
  full_name: Dolce, Vincenza
  last_name: Dolce
- first_name: Edmund R. S.
  full_name: Kunji, Edmund R. S.
  last_name: Kunji
- first_name: Loredana
  full_name: Capobianco, Loredana
  last_name: Capobianco
- first_name: Christophe
  full_name: Chipot, Christophe
  last_name: Chipot
- first_name: François
  full_name: Dehez, François
  last_name: Dehez
- first_name: Beate
  full_name: Bersch, Beate
  last_name: Bersch
- first_name: Paul
  full_name: Schanda, Paul
  id: 7B541462-FAF6-11E9-A490-E8DFE5697425
  last_name: Schanda
  orcid: 0000-0002-9350-7606
citation:
  ama: 'Kurauskas V, Hessel A, Ma P, et al. How detergent impacts membrane proteins:
    Atomic-level views of mitochondrial carriers in dodecylphosphocholine. <i>The
    Journal of Physical Chemistry Letters</i>. 2018;9(5):933-938. doi:<a href="https://doi.org/10.1021/acs.jpclett.8b00269">10.1021/acs.jpclett.8b00269</a>'
  apa: 'Kurauskas, V., Hessel, A., Ma, P., Lunetti, P., Weinhäupl, K., Imbert, L.,
    … Schanda, P. (2018). How detergent impacts membrane proteins: Atomic-level views
    of mitochondrial carriers in dodecylphosphocholine. <i>The Journal of Physical
    Chemistry Letters</i>. American Chemical Society. <a href="https://doi.org/10.1021/acs.jpclett.8b00269">https://doi.org/10.1021/acs.jpclett.8b00269</a>'
  chicago: 'Kurauskas, Vilius, Audrey Hessel, Peixiang Ma, Paola Lunetti, Katharina
    Weinhäupl, Lionel Imbert, Bernhard Brutscher, et al. “How Detergent Impacts Membrane
    Proteins: Atomic-Level Views of Mitochondrial Carriers in Dodecylphosphocholine.”
    <i>The Journal of Physical Chemistry Letters</i>. American Chemical Society, 2018.
    <a href="https://doi.org/10.1021/acs.jpclett.8b00269">https://doi.org/10.1021/acs.jpclett.8b00269</a>.'
  ieee: 'V. Kurauskas <i>et al.</i>, “How detergent impacts membrane proteins: Atomic-level
    views of mitochondrial carriers in dodecylphosphocholine,” <i>The Journal of Physical
    Chemistry Letters</i>, vol. 9, no. 5. American Chemical Society, pp. 933–938,
    2018.'
  ista: 'Kurauskas V, Hessel A, Ma P, Lunetti P, Weinhäupl K, Imbert L, Brutscher
    B, King MS, Sounier R, Dolce V, Kunji ERS, Capobianco L, Chipot C, Dehez F, Bersch
    B, Schanda P. 2018. How detergent impacts membrane proteins: Atomic-level views
    of mitochondrial carriers in dodecylphosphocholine. The Journal of Physical Chemistry
    Letters. 9(5), 933–938.'
  mla: 'Kurauskas, Vilius, et al. “How Detergent Impacts Membrane Proteins: Atomic-Level
    Views of Mitochondrial Carriers in Dodecylphosphocholine.” <i>The Journal of Physical
    Chemistry Letters</i>, vol. 9, no. 5, American Chemical Society, 2018, pp. 933–38,
    doi:<a href="https://doi.org/10.1021/acs.jpclett.8b00269">10.1021/acs.jpclett.8b00269</a>.'
  short: V. Kurauskas, A. Hessel, P. Ma, P. Lunetti, K. Weinhäupl, L. Imbert, B. Brutscher,
    M.S. King, R. Sounier, V. Dolce, E.R.S. Kunji, L. Capobianco, C. Chipot, F. Dehez,
    B. Bersch, P. Schanda, The Journal of Physical Chemistry Letters 9 (2018) 933–938.
date_created: 2020-09-18T10:05:45Z
date_published: 2018-02-03T00:00:00Z
date_updated: 2021-01-12T08:19:18Z
day: '03'
doi: 10.1021/acs.jpclett.8b00269
extern: '1'
fulldoi: https://doi.org/10.1021/acs.jpclett.8b00269
intvolume: '         9'
issue: '5'
keyword:
- General Materials Science
language:
- iso: eng
month: '02'
oa_version: None
page: 933-938
publication: The Journal of Physical Chemistry Letters
publication_identifier:
  issn:
  - 1948-7185
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: 'How detergent impacts membrane proteins: Atomic-level views of mitochondrial
  carriers in dodecylphosphocholine'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 9
year: '2018'
...