---
_id: '8466'
abstract:
- lang: eng
text: Recent advances in NMR spectroscopy and the availability of high magnetic
field strengths now offer the possibility to record real-time 3D NMR spectra of
short-lived protein states, e.g., states that become transiently populated during
protein folding. Here we present a strategy for obtaining sequential NMR assignments
as well as atom-resolved information on structural and dynamic features within
a folding intermediate of the amyloidogenic protein β2-microglobulin that has
a half-lifetime of only 20 min.
article_processing_charge: No
article_type: original
author:
- first_name: Enrico
full_name: Rennella, Enrico
last_name: Rennella
- first_name: Thomas
full_name: Cutuil, Thomas
last_name: Cutuil
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Isabel
full_name: Ayala, Isabel
last_name: Ayala
- first_name: Vincent
full_name: Forge, Vincent
last_name: Forge
- first_name: Bernhard
full_name: Brutscher, Bernhard
last_name: Brutscher
citation:
ama: Rennella E, Cutuil T, Schanda P, Ayala I, Forge V, Brutscher B. Real-time NMR
characterization of structure and dynamics in a transiently populated protein
folding intermediate. Journal of the American Chemical Society. 2012;134(19):8066-8069.
doi:10.1021/ja302598j
apa: Rennella, E., Cutuil, T., Schanda, P., Ayala, I., Forge, V., & Brutscher,
B. (2012). Real-time NMR characterization of structure and dynamics in a transiently
populated protein folding intermediate. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/ja302598j
chicago: Rennella, Enrico, Thomas Cutuil, Paul Schanda, Isabel Ayala, Vincent Forge,
and Bernhard Brutscher. “Real-Time NMR Characterization of Structure and Dynamics
in a Transiently Populated Protein Folding Intermediate.” Journal of the American
Chemical Society. American Chemical Society, 2012. https://doi.org/10.1021/ja302598j.
ieee: E. Rennella, T. Cutuil, P. Schanda, I. Ayala, V. Forge, and B. Brutscher,
“Real-time NMR characterization of structure and dynamics in a transiently populated
protein folding intermediate,” Journal of the American Chemical Society,
vol. 134, no. 19. American Chemical Society, pp. 8066–8069, 2012.
ista: Rennella E, Cutuil T, Schanda P, Ayala I, Forge V, Brutscher B. 2012. Real-time
NMR characterization of structure and dynamics in a transiently populated protein
folding intermediate. Journal of the American Chemical Society. 134(19), 8066–8069.
mla: Rennella, Enrico, et al. “Real-Time NMR Characterization of Structure and Dynamics
in a Transiently Populated Protein Folding Intermediate.” Journal of the American
Chemical Society, vol. 134, no. 19, American Chemical Society, 2012, pp. 8066–69,
doi:10.1021/ja302598j.
short: E. Rennella, T. Cutuil, P. Schanda, I. Ayala, V. Forge, B. Brutscher, Journal
of the American Chemical Society 134 (2012) 8066–8069.
date_created: 2020-09-18T10:10:28Z
date_published: 2012-05-03T00:00:00Z
date_updated: 2021-01-12T08:19:28Z
day: '03'
doi: 10.1021/ja302598j
extern: '1'
intvolume: ' 134'
issue: '19'
language:
- iso: eng
month: '05'
oa_version: None
page: 8066-8069
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Real-time NMR characterization of structure and dynamics in a transiently populated
protein folding intermediate
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 134
year: '2012'
...
---
_id: '7308'
abstract:
- lang: eng
text: 'Carbon has been used widely as the basis of porous cathodes for nonaqueous
Li–O2 cells. However, the stability of carbon and the effect of carbon on electrolyte
decomposition in such cells are complex and depend on the hydrophobicity/hydrophilicity
of the carbon surface. Analyzing carbon cathodes, cycled in Li–O2 cells between
2 and 4 V, using acid treatment and Fenton’s reagent, and combined with differential
electrochemical mass spectrometry and FTIR, demonstrates the following: Carbon
is relatively stable below 3.5 V (vs Li/Li+) on discharge or charge, especially
so for hydrophobic carbon, but is unstable on charging above 3.5 V (in the presence
of Li2O2), oxidatively decomposing to form Li2CO3. Direct chemical reaction with
Li2O2 accounts for only a small proportion of the total carbon decomposition on
cycling. Carbon promotes electrolyte decomposition during discharge and charge
in a Li–O2 cell, giving rise to Li2CO3 and Li carboxylates (DMSO and tetraglyme
electrolytes). The Li2CO3 and Li carboxylates present at the end of discharge
and those that form on charge result in polarization on the subsequent charge.
Li2CO3 (derived from carbon and from the electrolyte) as well as the Li carboxylates
(derived from the electrolyte) decompose and form on charging. Oxidation of Li2CO3
on charging to ∼4 V is incomplete; Li2CO3 accumulates on cycling resulting in
electrode passivation and capacity fading. Hydrophilic carbon is less stable and
more catalytically active toward electrolyte decomposition than carbon with a
hydrophobic surface. If the Li–O2 cell could be charged at or below 3.5 V, then
carbon may be relatively stable, however, its ability to promote electrolyte decomposition,
presenting problems for its use in a practical Li–O2 battery. The results emphasize
that stable cycling of Li2O2 at the cathode in a Li–O2 cell depends on the synergy
between electrolyte and electrode; the stability of the electrode and the electrolyte
cannot be considered in isolation.'
article_processing_charge: No
article_type: original
author:
- first_name: Muhammed M.
full_name: Ottakam Thotiyl, Muhammed M.
last_name: Ottakam Thotiyl
- first_name: Stefan Alexander
full_name: Freunberger, Stefan Alexander
id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425
last_name: Freunberger
orcid: 0000-0003-2902-5319
- first_name: Zhangquan
full_name: Peng, Zhangquan
last_name: Peng
- first_name: Peter G.
full_name: Bruce, Peter G.
last_name: Bruce
citation:
ama: Ottakam Thotiyl MM, Freunberger SA, Peng Z, Bruce PG. The carbon electrode
in nonaqueous Li–O2 cells. Journal of the American Chemical Society. 2012;135(1):494-500.
doi:10.1021/ja310258x
apa: Ottakam Thotiyl, M. M., Freunberger, S. A., Peng, Z., & Bruce, P. G. (2012).
The carbon electrode in nonaqueous Li–O2 cells. Journal of the American Chemical
Society. ACS. https://doi.org/10.1021/ja310258x
chicago: Ottakam Thotiyl, Muhammed M., Stefan Alexander Freunberger, Zhangquan Peng,
and Peter G. Bruce. “The Carbon Electrode in Nonaqueous Li–O2 Cells.” Journal
of the American Chemical Society. ACS, 2012. https://doi.org/10.1021/ja310258x.
ieee: M. M. Ottakam Thotiyl, S. A. Freunberger, Z. Peng, and P. G. Bruce, “The carbon
electrode in nonaqueous Li–O2 cells,” Journal of the American Chemical Society,
vol. 135, no. 1. ACS, pp. 494–500, 2012.
ista: Ottakam Thotiyl MM, Freunberger SA, Peng Z, Bruce PG. 2012. The carbon electrode
in nonaqueous Li–O2 cells. Journal of the American Chemical Society. 135(1), 494–500.
mla: Ottakam Thotiyl, Muhammed M., et al. “The Carbon Electrode in Nonaqueous Li–O2
Cells.” Journal of the American Chemical Society, vol. 135, no. 1, ACS,
2012, pp. 494–500, doi:10.1021/ja310258x.
short: M.M. Ottakam Thotiyl, S.A. Freunberger, Z. Peng, P.G. Bruce, Journal of the
American Chemical Society 135 (2012) 494–500.
date_created: 2020-01-15T12:18:57Z
date_published: 2012-11-28T00:00:00Z
date_updated: 2021-01-12T08:12:56Z
day: '28'
doi: 10.1021/ja310258x
extern: '1'
intvolume: ' 135'
issue: '1'
language:
- iso: eng
month: '11'
oa_version: None
page: 494-500
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: ACS
quality_controlled: '1'
status: public
title: The carbon electrode in nonaqueous Li–O2 cells
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 135
year: '2012'
...
---
_id: '7311'
abstract:
- lang: eng
text: Stability of the electrolyte toward reduced oxygen species generated at the
cathode is a crucial challenge for the rechargeable nonaqueous Li–O2 battery.
Here, we investigate dimethylformamide as the basis of an electrolyte. Although
reactions at the O2 cathode on the first discharge–charge cycle are dominated
by reversible Li2O2 formation/decomposition, there is also electrolyte decomposition,
which increases on cycling. The products of decomposition at the cathode on discharge
are Li2O2, Li2CO3, HCO2Li, CH3CO2Li, NO, H2O, and CO2. Li2CO3 accumulates in the
electrode with cycling. The stability of dimethylformamide toward reduced oxygen
species is insufficient for its use in the rechargeable nonaqueous Li–O2 battery.
article_processing_charge: No
article_type: original
author:
- first_name: Yuhui
full_name: Chen, Yuhui
last_name: Chen
- first_name: Stefan Alexander
full_name: Freunberger, Stefan Alexander
id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425
last_name: Freunberger
orcid: 0000-0003-2902-5319
- first_name: Zhangquan
full_name: Peng, Zhangquan
last_name: Peng
- first_name: Fanny
full_name: Bardé, Fanny
last_name: Bardé
- first_name: Peter G.
full_name: Bruce, Peter G.
last_name: Bruce
citation:
ama: Chen Y, Freunberger SA, Peng Z, Bardé F, Bruce PG. Li–O2 battery with a dimethylformamide
electrolyte. Journal of the American Chemical Society. 2012;134(18):7952-7957.
doi:10.1021/ja302178w
apa: Chen, Y., Freunberger, S. A., Peng, Z., Bardé, F., & Bruce, P. G. (2012).
Li–O2 battery with a dimethylformamide electrolyte. Journal of the American
Chemical Society. ACS. https://doi.org/10.1021/ja302178w
chicago: Chen, Yuhui, Stefan Alexander Freunberger, Zhangquan Peng, Fanny Bardé,
and Peter G. Bruce. “Li–O2 Battery with a Dimethylformamide Electrolyte.” Journal
of the American Chemical Society. ACS, 2012. https://doi.org/10.1021/ja302178w.
ieee: Y. Chen, S. A. Freunberger, Z. Peng, F. Bardé, and P. G. Bruce, “Li–O2 battery
with a dimethylformamide electrolyte,” Journal of the American Chemical Society,
vol. 134, no. 18. ACS, pp. 7952–7957, 2012.
ista: Chen Y, Freunberger SA, Peng Z, Bardé F, Bruce PG. 2012. Li–O2 battery with
a dimethylformamide electrolyte. Journal of the American Chemical Society. 134(18),
7952–7957.
mla: Chen, Yuhui, et al. “Li–O2 Battery with a Dimethylformamide Electrolyte.” Journal
of the American Chemical Society, vol. 134, no. 18, ACS, 2012, pp. 7952–57,
doi:10.1021/ja302178w.
short: Y. Chen, S.A. Freunberger, Z. Peng, F. Bardé, P.G. Bruce, Journal of the
American Chemical Society 134 (2012) 7952–7957.
date_created: 2020-01-15T12:19:36Z
date_published: 2012-04-19T00:00:00Z
date_updated: 2021-01-12T08:12:58Z
day: '19'
doi: 10.1021/ja302178w
extern: '1'
intvolume: ' 134'
issue: '18'
language:
- iso: eng
month: '04'
oa_version: None
page: 7952-7957
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: ACS
quality_controlled: '1'
status: public
title: Li–O2 battery with a dimethylformamide electrolyte
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 134
year: '2012'
...
---
OA_type: closed access
_id: '18001'
abstract:
- lang: eng
text: 'We study the effects of molecular structure on the electronic transport and
mechanical stability of single-molecule junctions formed with Au point contacts.
Two types of linear conjugated molecular wires are compared: those functionalized
with methylsulfide or amine aurophilic groups at (1) both or (2) only one of its
phenyl termini. Using scanning tunneling and atomic force microscope break-junction
techniques, the conductance of mono- and difunctionalized molecular wires and
its dependence on junction elongation and rupture forces were studied. Charge
transport through monofunctionalized wires is observed when the molecular bridge
is coupled through a S–Au donor–acceptor bond on one end and a relatively weak
Au−π interaction on the other end. For monofunctionalized molecular wires, junctions
can be mechanically stabilized by installing a second aurophilic group at the
meta position that, however, does not in itself contribute to a new conduction
pathway. These results reveal the important interplay between electronic coupling
through metal−π interactions and quantum mechanical effects introduced by chemical
substitution on the conjugated system. This study affords a strategy to deterministically
tune the electrical and mechanical properties through molecular wires.'
article_processing_charge: No
article_type: original
author:
- first_name: Jeffrey S.
full_name: Meisner, Jeffrey S.
last_name: Meisner
- first_name: Seokhoon
full_name: Ahn, Seokhoon
last_name: Ahn
- first_name: Sriharsha V.
full_name: Aradhya, Sriharsha V.
last_name: Aradhya
- first_name: Markrete
full_name: Krikorian, Markrete
last_name: Krikorian
- first_name: Radha
full_name: Parameswaran, Radha
last_name: Parameswaran
- first_name: Michael
full_name: Steigerwald, Michael
last_name: Steigerwald
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Meisner JS, Ahn S, Aradhya SV, et al. Importance of direct metal−π coupling
in electronic transport through conjugated single-molecule junctions. Journal
of the American Chemical Society. 2012;134(50):20440-20445. doi:10.1021/ja308626m
apa: Meisner, J. S., Ahn, S., Aradhya, S. V., Krikorian, M., Parameswaran, R., Steigerwald,
M., … Nuckolls, C. (2012). Importance of direct metal−π coupling in electronic
transport through conjugated single-molecule junctions. Journal of the American
Chemical Society. American Chemical Society. https://doi.org/10.1021/ja308626m
chicago: Meisner, Jeffrey S., Seokhoon Ahn, Sriharsha V. Aradhya, Markrete Krikorian,
Radha Parameswaran, Michael Steigerwald, Latha Venkataraman, and Colin Nuckolls.
“Importance of Direct Metal−π Coupling in Electronic Transport through Conjugated
Single-Molecule Junctions.” Journal of the American Chemical Society. American
Chemical Society, 2012. https://doi.org/10.1021/ja308626m.
ieee: J. S. Meisner et al., “Importance of direct metal−π coupling in electronic
transport through conjugated single-molecule junctions,” Journal of the American
Chemical Society, vol. 134, no. 50. American Chemical Society, pp. 20440–20445,
2012.
ista: Meisner JS, Ahn S, Aradhya SV, Krikorian M, Parameswaran R, Steigerwald M,
Venkataraman L, Nuckolls C. 2012. Importance of direct metal−π coupling in electronic
transport through conjugated single-molecule junctions. Journal of the American
Chemical Society. 134(50), 20440–20445.
mla: Meisner, Jeffrey S., et al. “Importance of Direct Metal−π Coupling in Electronic
Transport through Conjugated Single-Molecule Junctions.” Journal of the American
Chemical Society, vol. 134, no. 50, American Chemical Society, 2012, pp. 20440–45,
doi:10.1021/ja308626m.
short: J.S. Meisner, S. Ahn, S.V. Aradhya, M. Krikorian, R. Parameswaran, M. Steigerwald,
L. Venkataraman, C. Nuckolls, Journal of the American Chemical Society 134 (2012)
20440–20445.
date_created: 2024-09-09T11:39:25Z
date_published: 2012-11-21T00:00:00Z
date_updated: 2025-01-03T08:54:09Z
day: '21'
doi: 10.1021/ja308626m
extern: '1'
external_id:
pmid:
- '23167533'
intvolume: ' 134'
issue: '50'
language:
- iso: eng
month: '11'
oa_version: None
page: 20440-20445
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Importance of direct metal−π coupling in electronic transport through conjugated
single-molecule junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 134
year: '2012'
...
---
OA_type: closed access
_id: '18009'
abstract:
- lang: eng
text: Bulk silicon, the bedrock of information technology, consists of the deceptively
simple electronic structure of just Si–Si σ bonds. Diamond has the same lattice
structure as silicon, yet the two materials have dramatically different electronic
properties. Here we report the specific synthesis and electrical characterization
of a class of molecules, oligosilanes, that contain strongly interacting Si–Si
σ bonds, the essential components of the bulk semiconductor. We used the scanning
tunneling microscope-based break-junction technique to compare the single-molecule
conductance of these oligosilanes to those of alkanes. We found that the molecular
conductance decreases exponentially with increasing chain length with a decay
constant β = 0.27 ± 0.01 Å–1, comparable to that of a conjugated chain of C═C
π bonds. This result demonstrates the profound implications of σ conjugation for
the conductivity of silicon.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Rebekka S.
full_name: Klausen, Rebekka S.
last_name: Klausen
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Klausen RS, Widawsky JR, Steigerwald ML, Venkataraman L, Nuckolls C. Conductive
molecular silicon. Journal of the American Chemical Society. 2012;134(10):4541-4544.
doi:10.1021/ja211677q
apa: Klausen, R. S., Widawsky, J. R., Steigerwald, M. L., Venkataraman, L., &
Nuckolls, C. (2012). Conductive molecular silicon. Journal of the American
Chemical Society. American Chemical Society. https://doi.org/10.1021/ja211677q
chicago: Klausen, Rebekka S., Jonathan R. Widawsky, Michael L. Steigerwald, Latha
Venkataraman, and Colin Nuckolls. “Conductive Molecular Silicon.” Journal of
the American Chemical Society. American Chemical Society, 2012. https://doi.org/10.1021/ja211677q.
ieee: R. S. Klausen, J. R. Widawsky, M. L. Steigerwald, L. Venkataraman, and C.
Nuckolls, “Conductive molecular silicon,” Journal of the American Chemical
Society, vol. 134, no. 10. American Chemical Society, pp. 4541–4544, 2012.
ista: Klausen RS, Widawsky JR, Steigerwald ML, Venkataraman L, Nuckolls C. 2012.
Conductive molecular silicon. Journal of the American Chemical Society. 134(10),
4541–4544.
mla: Klausen, Rebekka S., et al. “Conductive Molecular Silicon.” Journal of the
American Chemical Society, vol. 134, no. 10, American Chemical Society, 2012,
pp. 4541–44, doi:10.1021/ja211677q.
short: R.S. Klausen, J.R. Widawsky, M.L. Steigerwald, L. Venkataraman, C. Nuckolls,
Journal of the American Chemical Society 134 (2012) 4541–4544.
date_created: 2024-09-09T12:29:56Z
date_published: 2012-02-21T00:00:00Z
date_updated: 2025-01-03T09:14:29Z
day: '21'
doi: 10.1021/ja211677q
extern: '1'
external_id:
pmid:
- '22352896'
intvolume: ' 134'
issue: '10'
language:
- iso: eng
month: '02'
oa_version: None
page: 4541-4544
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Conductive molecular silicon
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 134
year: '2012'
...
---
OA_type: closed access
_id: '18011'
abstract:
- lang: eng
text: We use a modified conducting atomic force microscope to simultaneously probe
the conductance of a single-molecule junction and the force required to rupture
the junction formed by alkanes terminated with four different chemical link groups
which vary in binding strength and mechanism to the gold electrodes. Molecular
junctions with amine, methylsulfide, and diphenylphosphine terminated molecules
show clear conductance signatures and rupture at a force that is significantly
smaller than the measured 1.4 nN force required to rupture the single-atomic gold
contact. In contrast, measurements with a thiol terminated alkane which can bind
covalently to the gold electrode show conductance and force features unlike those
of the other molecules studied. Specifically, the strong Au–S bond can cause structural
rearrangements in the electrodes, which are accompanied by substantial conductance
changes. Despite the strong Au–S bond and the evidence for disruption of the Au
structure, the experiments show that on average these junctions also rupture at
a smaller force than that measured for pristine single-atom gold contacts.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Michael
full_name: Frei, Michael
last_name: Frei
- first_name: Sriharsha V.
full_name: Aradhya, Sriharsha V.
last_name: Aradhya
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Frei M, Aradhya SV, Hybertsen MS, Venkataraman L. Linker dependent bond rupture
force measurements in single-molecule junctions. Journal of the American Chemical
Society. 2012;134(9):4003-4006. doi:10.1021/ja211590d
apa: Frei, M., Aradhya, S. V., Hybertsen, M. S., & Venkataraman, L. (2012).
Linker dependent bond rupture force measurements in single-molecule junctions.
Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja211590d
chicago: Frei, Michael, Sriharsha V. Aradhya, Mark S. Hybertsen, and Latha Venkataraman.
“Linker Dependent Bond Rupture Force Measurements in Single-Molecule Junctions.”
Journal of the American Chemical Society. American Chemical Society, 2012.
https://doi.org/10.1021/ja211590d.
ieee: M. Frei, S. V. Aradhya, M. S. Hybertsen, and L. Venkataraman, “Linker dependent
bond rupture force measurements in single-molecule junctions,” Journal of the
American Chemical Society, vol. 134, no. 9. American Chemical Society, pp.
4003–4006, 2012.
ista: Frei M, Aradhya SV, Hybertsen MS, Venkataraman L. 2012. Linker dependent bond
rupture force measurements in single-molecule junctions. Journal of the American
Chemical Society. 134(9), 4003–4006.
mla: Frei, Michael, et al. “Linker Dependent Bond Rupture Force Measurements in
Single-Molecule Junctions.” Journal of the American Chemical Society, vol.
134, no. 9, American Chemical Society, 2012, pp. 4003–06, doi:10.1021/ja211590d.
short: M. Frei, S.V. Aradhya, M.S. Hybertsen, L. Venkataraman, Journal of the American
Chemical Society 134 (2012) 4003–4006.
date_created: 2024-09-09T12:31:14Z
date_published: 2012-02-16T00:00:00Z
date_updated: 2025-01-03T09:24:29Z
day: '16'
doi: 10.1021/ja211590d
extern: '1'
external_id:
pmid:
- '22338625'
intvolume: ' 134'
issue: '9'
language:
- iso: eng
month: '02'
oa_version: None
page: 4003-4006
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Linker dependent bond rupture force measurements in single-molecule junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 134
year: '2012'
...
---
_id: '7316'
abstract:
- lang: eng
text: The nonaqueous rechargeable lithium–O2 battery containing an alkyl carbonate
electrolyte discharges by formation of C3H6(OCO2Li)2, Li2CO3, HCO2Li, CH3CO2Li,
CO2, and H2O at the cathode, due to electrolyte decomposition. Charging involves
oxidation of C3H6(OCO2Li)2, Li2CO3, HCO2Li, CH3CO2Li accompanied by CO2 and H2O
evolution. Mechanisms are proposed for the reactions on discharge and charge.
The different pathways for discharge and charge are consistent with the widely
observed voltage gap in Li–O2 cells. Oxidation of C3H6(OCO2Li)2 involves terminal
carbonate groups leaving behind the OC3H6O moiety that reacts to form a thick
gel on the Li anode. Li2CO3, HCO2Li, CH3CO2Li, and C3H6(OCO2Li)2 accumulate in
the cathode on cycling correlating with capacity fading and cell failure. The
latter is compounded by continuous consumption of the electrolyte on each discharge.
article_processing_charge: No
article_type: original
author:
- first_name: Stefan Alexander
full_name: Freunberger, Stefan Alexander
id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425
last_name: Freunberger
orcid: 0000-0003-2902-5319
- first_name: Yuhui
full_name: Chen, Yuhui
last_name: Chen
- first_name: Zhangquan
full_name: Peng, Zhangquan
last_name: Peng
- first_name: John M.
full_name: Griffin, John M.
last_name: Griffin
- first_name: Laurence J.
full_name: Hardwick, Laurence J.
last_name: Hardwick
- first_name: Fanny
full_name: Bardé, Fanny
last_name: Bardé
- first_name: Petr
full_name: Novák, Petr
last_name: Novák
- first_name: Peter G.
full_name: Bruce, Peter G.
last_name: Bruce
citation:
ama: Freunberger SA, Chen Y, Peng Z, et al. Reactions in the rechargeable Lithium–O2
battery with alkyl carbonate electrolytes. Journal of the American Chemical
Society. 2011;133(20):8040-8047. doi:10.1021/ja2021747
apa: Freunberger, S. A., Chen, Y., Peng, Z., Griffin, J. M., Hardwick, L. J., Bardé,
F., … Bruce, P. G. (2011). Reactions in the rechargeable Lithium–O2 battery with
alkyl carbonate electrolytes. Journal of the American Chemical Society.
ACS. https://doi.org/10.1021/ja2021747
chicago: Freunberger, Stefan Alexander, Yuhui Chen, Zhangquan Peng, John M. Griffin,
Laurence J. Hardwick, Fanny Bardé, Petr Novák, and Peter G. Bruce. “Reactions
in the Rechargeable Lithium–O2 Battery with Alkyl Carbonate Electrolytes.” Journal
of the American Chemical Society. ACS, 2011. https://doi.org/10.1021/ja2021747.
ieee: S. A. Freunberger et al., “Reactions in the rechargeable Lithium–O2
battery with alkyl carbonate electrolytes,” Journal of the American Chemical
Society, vol. 133, no. 20. ACS, pp. 8040–8047, 2011.
ista: Freunberger SA, Chen Y, Peng Z, Griffin JM, Hardwick LJ, Bardé F, Novák
P, Bruce PG. 2011. Reactions in the rechargeable Lithium–O2 battery with alkyl
carbonate electrolytes. Journal of the American Chemical Society. 133(20), 8040–8047.
mla: Freunberger, Stefan Alexander, et al. “Reactions in the Rechargeable Lithium–O2
Battery with Alkyl Carbonate Electrolytes.” Journal of the American Chemical
Society, vol. 133, no. 20, ACS, 2011, pp. 8040–47, doi:10.1021/ja2021747.
short: S.A. Freunberger, Y. Chen, Z. Peng, J.M. Griffin, L.J. Hardwick, F. Bardé,
P. Novák, P.G. Bruce, Journal of the American Chemical Society 133 (2011) 8040–8047.
date_created: 2020-01-15T12:20:43Z
date_published: 2011-04-27T00:00:00Z
date_updated: 2021-01-12T08:13:00Z
day: '27'
doi: 10.1021/ja2021747
extern: '1'
intvolume: ' 133'
issue: '20'
language:
- iso: eng
month: '04'
oa_version: None
page: 8040-8047
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: ACS
quality_controlled: '1'
status: public
title: Reactions in the rechargeable Lithium–O2 battery with alkyl carbonate electrolytes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 133
year: '2011'
...
---
OA_place: repository
OA_type: green
_id: '18014'
abstract:
- lang: eng
text: We measure electronic conductance through single conjugated molecules bonded
to Au metal electrodes with direct Au–C covalent bonds using the scanning tunneling
microscope based break-junction technique. We start with molecules terminated
with trimethyltin end groups that cleave off in situ, resulting in formation of
a direct covalent σ bond between the carbon backbone and the gold metal electrodes.
The molecular carbon backbone used in this study consist of a conjugated π system
that has one terminal methylene group on each end, which bonds to the electrodes,
achieving large electronic coupling of the electrodes to the π system. The junctions
formed with the prototypical example of 1,4-dimethylenebenzene show a conductance
approaching one conductance quantum (G0 = 2e2/h). Junctions formed with methylene-terminated
oligophenyls with two to four phenyl units show a 100-fold increase in conductance
compared with junctions formed with amine-linked oligophenyls. The conduction
mechanism for these longer oligophenyls is tunneling, as they exhibit an exponential
dependence of conductance on oligomer length. In addition, density functional
theory based calculations for the Au–xylylene–Au junction show near-resonant transmission,
with a crossover to tunneling for the longer oligomers.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: Wenbo
full_name: Chen, Wenbo
last_name: Chen
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Héctor
full_name: Vázquez, Héctor
last_name: Vázquez
- first_name: Severin T.
full_name: Schneebeli, Severin T.
last_name: Schneebeli
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: Ronald
full_name: Breslow, Ronald
last_name: Breslow
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Chen W, Widawsky JR, Vázquez H, et al. Highly conducting π-conjugated molecular
junctions covalently bonded to gold electrodes. Journal of the American Chemical
Society. 2011;133(43):17160-17163. doi:10.1021/ja208020j
apa: Chen, W., Widawsky, J. R., Vázquez, H., Schneebeli, S. T., Hybertsen, M. S.,
Breslow, R., & Venkataraman, L. (2011). Highly conducting π-conjugated molecular
junctions covalently bonded to gold electrodes. Journal of the American Chemical
Society. American Chemical Society. https://doi.org/10.1021/ja208020j
chicago: Chen, Wenbo, Jonathan R. Widawsky, Héctor Vázquez, Severin T. Schneebeli,
Mark S. Hybertsen, Ronald Breslow, and Latha Venkataraman. “Highly Conducting
π-Conjugated Molecular Junctions Covalently Bonded to Gold Electrodes.” Journal
of the American Chemical Society. American Chemical Society, 2011. https://doi.org/10.1021/ja208020j.
ieee: W. Chen et al., “Highly conducting π-conjugated molecular junctions
covalently bonded to gold electrodes,” Journal of the American Chemical Society,
vol. 133, no. 43. American Chemical Society, pp. 17160–17163, 2011.
ista: Chen W, Widawsky JR, Vázquez H, Schneebeli ST, Hybertsen MS, Breslow R, Venkataraman
L. 2011. Highly conducting π-conjugated molecular junctions covalently bonded
to gold electrodes. Journal of the American Chemical Society. 133(43), 17160–17163.
mla: Chen, Wenbo, et al. “Highly Conducting π-Conjugated Molecular Junctions Covalently
Bonded to Gold Electrodes.” Journal of the American Chemical Society, vol.
133, no. 43, American Chemical Society, 2011, pp. 17160–63, doi:10.1021/ja208020j.
short: W. Chen, J.R. Widawsky, H. Vázquez, S.T. Schneebeli, M.S. Hybertsen, R. Breslow,
L. Venkataraman, Journal of the American Chemical Society 133 (2011) 17160–17163.
date_created: 2024-09-09T12:33:46Z
date_published: 2011-09-22T00:00:00Z
date_updated: 2025-01-03T09:34:24Z
day: '22'
doi: 10.1021/ja208020j
extern: '1'
external_id:
arxiv:
- '1110.0344'
pmid:
- '21939263'
intvolume: ' 133'
issue: '43'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1110.0344
month: '09'
oa: 1
oa_version: Preprint
page: 17160-17163
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Highly conducting π-conjugated molecular junctions covalently bonded to gold
electrodes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 133
year: '2011'
...
---
OA_type: closed access
_id: '18016'
abstract:
- lang: eng
text: Understanding the electrical properties of semiconducting quantum dot devices
have been limited due to the variability of their size/composition and the chemistry
of ligand/electrode binding. Furthermore, to probe their electrical conduction
properties and its dependence on ligand/electrode binding, measurements must be
carried out at the single dot/cluster level. Herein we report scanning tunneling
microscope based break junction measurements of cobalt chalcogenide clusters with
Te, Se and S to probe the conductance properties. Our measured conductance trends
show that the Co–Te based clusters have the highest conductance while the Co-S
clusters the lowest. These trends are in very good agreement with cyclic voltammetry
measurements of the first oxidation potentials and with density functional theory
calculations of their HOMO–LUMO gaps.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Brycelyn M.
full_name: Boardman, Brycelyn M.
last_name: Boardman
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Young S.
full_name: Park, Young S.
last_name: Park
- first_name: Christine L.
full_name: Schenck, Christine L.
last_name: Schenck
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Boardman BM, Widawsky JR, Park YS, et al. Conductance of single cobalt chalcogenide
cluster junctions. Journal of the American Chemical Society. 2011;133(22):8455-8457.
doi:10.1021/ja201334s
apa: Boardman, B. M., Widawsky, J. R., Park, Y. S., Schenck, C. L., Venkataraman,
L., Steigerwald, M. L., & Nuckolls, C. (2011). Conductance of single cobalt
chalcogenide cluster junctions. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/ja201334s
chicago: Boardman, Brycelyn M., Jonathan R. Widawsky, Young S. Park, Christine L.
Schenck, Latha Venkataraman, Michael L. Steigerwald, and Colin Nuckolls. “Conductance
of Single Cobalt Chalcogenide Cluster Junctions.” Journal of the American Chemical
Society. American Chemical Society, 2011. https://doi.org/10.1021/ja201334s.
ieee: B. M. Boardman et al., “Conductance of single cobalt chalcogenide cluster
junctions,” Journal of the American Chemical Society, vol. 133, no. 22.
American Chemical Society, pp. 8455–8457, 2011.
ista: Boardman BM, Widawsky JR, Park YS, Schenck CL, Venkataraman L, Steigerwald
ML, Nuckolls C. 2011. Conductance of single cobalt chalcogenide cluster junctions.
Journal of the American Chemical Society. 133(22), 8455–8457.
mla: Boardman, Brycelyn M., et al. “Conductance of Single Cobalt Chalcogenide Cluster
Junctions.” Journal of the American Chemical Society, vol. 133, no. 22,
American Chemical Society, 2011, pp. 8455–57, doi:10.1021/ja201334s.
short: B.M. Boardman, J.R. Widawsky, Y.S. Park, C.L. Schenck, L. Venkataraman, M.L.
Steigerwald, C. Nuckolls, Journal of the American Chemical Society 133 (2011)
8455–8457.
date_created: 2024-09-09T12:35:04Z
date_published: 2011-05-03T00:00:00Z
date_updated: 2025-01-03T09:38:32Z
day: '03'
doi: 10.1021/ja201334s
extern: '1'
external_id:
pmid:
- '21539375'
intvolume: ' 133'
issue: '22'
language:
- iso: eng
month: '05'
oa_version: None
page: 8455-8457
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Conductance of single cobalt chalcogenide cluster junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 133
year: '2011'
...
---
OA_type: closed access
_id: '18020'
abstract:
- lang: eng
text: Understanding electron transport across π−π-stacked systems will help to answer
fundamental questions about biochemical redox processes and benefit the design
of new materials and molecular devices. Herein we employed the STM break-junction
technique to measure the single-molecule conductance of multiple π−π-stacked aromatic
rings. We studied electron transport through up to four stacked benzene rings
held together in an eclipsed fashion via a paracyclophane scaffold. We found that
the strained hydrocarbons studied herein couple directly to gold electrodes during
the measurements; hence, we did not require any heteroatom binding groups as electrical
contacts. Density functional theory-based calculations suggest that the gold atoms
of the electrodes bind to two neighboring carbon atoms of the outermost cyclophane
benzene rings in η2 fashion. Our measurements show an exponential decay of the
conductance with an increasing number of stacked benzene rings, indicating a nonresonant
tunneling mechanism. Furthermore, STM tip−substrate displacement data provide
additional evidence that the electrodes bind to the outermost benzene rings of
the π−π-stacked molecular wires.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Severin T.
full_name: Schneebeli, Severin T.
last_name: Schneebeli
- first_name: Maria
full_name: Kamenetska, Maria
last_name: Kamenetska
- first_name: Zhanling
full_name: Cheng, Zhanling
last_name: Cheng
- first_name: Rachid
full_name: Skouta, Rachid
last_name: Skouta
- first_name: Richard A.
full_name: Friesner, Richard A.
last_name: Friesner
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Ronald
full_name: Breslow, Ronald
last_name: Breslow
citation:
ama: Schneebeli ST, Kamenetska M, Cheng Z, et al. Single-molecule conductance through
multiple π−π-stacked benzene rings determined with direct electrode-to-benzene
ring connections. Journal of the American Chemical Society. 2011;133(7):2136-2139.
doi:10.1021/ja111320n
apa: Schneebeli, S. T., Kamenetska, M., Cheng, Z., Skouta, R., Friesner, R. A.,
Venkataraman, L., & Breslow, R. (2011). Single-molecule conductance through
multiple π−π-stacked benzene rings determined with direct electrode-to-benzene
ring connections. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/ja111320n
chicago: Schneebeli, Severin T., Maria Kamenetska, Zhanling Cheng, Rachid Skouta,
Richard A. Friesner, Latha Venkataraman, and Ronald Breslow. “Single-Molecule
Conductance through Multiple Π−π-Stacked Benzene Rings Determined with Direct
Electrode-to-Benzene Ring Connections.” Journal of the American Chemical Society.
American Chemical Society, 2011. https://doi.org/10.1021/ja111320n.
ieee: S. T. Schneebeli et al., “Single-molecule conductance through multiple
π−π-stacked benzene rings determined with direct electrode-to-benzene ring connections,”
Journal of the American Chemical Society, vol. 133, no. 7. American Chemical
Society, pp. 2136–2139, 2011.
ista: Schneebeli ST, Kamenetska M, Cheng Z, Skouta R, Friesner RA, Venkataraman
L, Breslow R. 2011. Single-molecule conductance through multiple π−π-stacked benzene
rings determined with direct electrode-to-benzene ring connections. Journal of
the American Chemical Society. 133(7), 2136–2139.
mla: Schneebeli, Severin T., et al. “Single-Molecule Conductance through Multiple
Π−π-Stacked Benzene Rings Determined with Direct Electrode-to-Benzene Ring Connections.”
Journal of the American Chemical Society, vol. 133, no. 7, American Chemical
Society, 2011, pp. 2136–39, doi:10.1021/ja111320n.
short: S.T. Schneebeli, M. Kamenetska, Z. Cheng, R. Skouta, R.A. Friesner, L. Venkataraman,
R. Breslow, Journal of the American Chemical Society 133 (2011) 2136–2139.
date_created: 2024-09-09T12:57:08Z
date_published: 2011-01-25T00:00:00Z
date_updated: 2025-01-03T09:49:00Z
day: '25'
doi: 10.1021/ja111320n
extern: '1'
external_id:
pmid:
- '21265533'
intvolume: ' 133'
issue: '7'
language:
- iso: eng
month: '01'
oa_version: None
page: 2136-2139
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Single-molecule conductance through multiple π−π-stacked benzene rings determined
with direct electrode-to-benzene ring connections
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 133
year: '2011'
...
---
_id: '13410'
abstract:
- lang: eng
text: A range (Au, Pt, Pd) of metal nanoparticles (MNPs) has been prepared and functionalized
with (a) redox-active stalks containing tetrathiafulvalene (TTF) units, (b) [2]pseudorotaxanes
formed between these stalks and cyclobis(paraquat-p-phenylene) (CBPQT4+) rings,
and (c) bistable [2]rotaxane molecules where the dumbbell component contains a
1,5-dioxynaphthalene (DNP) unit, as well as a TTF unit, encircled by a CBPQT4+
ring. It transpires that the molecules present in (a) and (c) and the supermolecules
described in (b) retain their switching characteristics, previously observed in
solution, when they are immobilized onto MNPs. Moreover, their oxidation potentials
depend on the fraction, χ, of the molecules or supermolecules on the surface of
the nanoparticles. A variation in χ affects the oxidation potentials of the TTF
units to the extent that switching can be subjected to fine tuning as a result.
Specifically, increasing χ results in positive shifts (i) in the oxidation potentials
of the TTF unit in (a)−(c) and (ii) the reduction potentials of the CBPQT4+ rings
in (c). These shifts can be attributed to an increase in the electrostatic potential
surrounding the MNPs. Both the magnitude and the direction of these shifts are
reproduced by a model, based on the Poisson−Boltzmann equation coupled with charge-regulating
boundary conditions. Furthermore, the kinetics of relaxation from the metastable
state coconformation (MSCC) to the ground-state coconformation (GSCC) of the bistable
[2]rotaxane molecules also depends on χ, as well as on the nanoparticle diameter.
Increasing either of these parameters accelerates the rate of relaxation from
the MSCC to the GSCC. This rate is a function of (i) the activation energy for
the relaxation process associated with the bistable [2]rotaxane molecules in solution
and (ii) the electrostatic potential surrounding the MNPs. The electrostatic potential
depends on (i) the diameter of the MNPs, (ii) the amount of the bistable [2]rotaxane
molecules on the surface of the MNPs, and (iii) the equilibrium distribution of
the CBPQT4+ rings between the DNP and TTF recognition sites in the GSCC. This
electrostatic potential has also been quantified using the Poisson−Boltzmann equation,
leading to faithful estimates of the rate constants.
article_processing_charge: No
article_type: original
author:
- first_name: Ali
full_name: Coskun, Ali
last_name: Coskun
- first_name: Paul J.
full_name: Wesson, Paul J.
last_name: Wesson
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
- first_name: Ali
full_name: Trabolsi, Ali
last_name: Trabolsi
- first_name: Lei
full_name: Fang, Lei
last_name: Fang
- first_name: Mark A.
full_name: Olson, Mark A.
last_name: Olson
- first_name: Sanjeev K.
full_name: Dey, Sanjeev K.
last_name: Dey
- first_name: Bartosz A.
full_name: Grzybowski, Bartosz A.
last_name: Grzybowski
- first_name: J. Fraser
full_name: Stoddart, J. Fraser
last_name: Stoddart
citation:
ama: 'Coskun A, Wesson PJ, Klajn R, et al. Molecular-mechanical switching at the
nanoparticle−solvent interface: Practice and theory. Journal of the American
Chemical Society. 2010;132(12):4310-4320. doi:10.1021/ja9102327'
apa: 'Coskun, A., Wesson, P. J., Klajn, R., Trabolsi, A., Fang, L., Olson, M. A.,
… Stoddart, J. F. (2010). Molecular-mechanical switching at the nanoparticle−solvent
interface: Practice and theory. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/ja9102327'
chicago: 'Coskun, Ali, Paul J. Wesson, Rafal Klajn, Ali Trabolsi, Lei Fang, Mark
A. Olson, Sanjeev K. Dey, Bartosz A. Grzybowski, and J. Fraser Stoddart. “Molecular-Mechanical
Switching at the Nanoparticle−solvent Interface: Practice and Theory.” Journal
of the American Chemical Society. American Chemical Society, 2010. https://doi.org/10.1021/ja9102327.'
ieee: 'A. Coskun et al., “Molecular-mechanical switching at the nanoparticle−solvent
interface: Practice and theory,” Journal of the American Chemical Society,
vol. 132, no. 12. American Chemical Society, pp. 4310–4320, 2010.'
ista: 'Coskun A, Wesson PJ, Klajn R, Trabolsi A, Fang L, Olson MA, Dey SK, Grzybowski
BA, Stoddart JF. 2010. Molecular-mechanical switching at the nanoparticle−solvent
interface: Practice and theory. Journal of the American Chemical Society. 132(12),
4310–4320.'
mla: 'Coskun, Ali, et al. “Molecular-Mechanical Switching at the Nanoparticle−solvent
Interface: Practice and Theory.” Journal of the American Chemical Society,
vol. 132, no. 12, American Chemical Society, 2010, pp. 4310–20, doi:10.1021/ja9102327.'
short: A. Coskun, P.J. Wesson, R. Klajn, A. Trabolsi, L. Fang, M.A. Olson, S.K.
Dey, B.A. Grzybowski, J.F. Stoddart, Journal of the American Chemical Society
132 (2010) 4310–4320.
date_created: 2023-08-01T09:48:27Z
date_published: 2010-03-31T00:00:00Z
date_updated: 2023-08-08T08:00:31Z
day: '31'
doi: 10.1021/ja9102327
extern: '1'
external_id:
pmid:
- '20218598'
intvolume: ' 132'
issue: '12'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '03'
oa_version: None
page: 4310-4320
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Molecular-mechanical switching at the nanoparticle−solvent interface: Practice
and theory'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 132
year: '2010'
...
---
_id: '8472'
abstract:
- lang: eng
text: Characterization of protein dynamics by solid-state NMR spectroscopy requires
robust and accurate measurement protocols, which are not yet fully developed.
In this study, we investigate the backbone dynamics of microcrystalline ubiquitin
using different approaches. A rotational-echo double-resonance type (REDOR-type)
methodology allows one to accurately measure 1H−15N order parameters in highly
deuterated samples. We show that the systematic errors in the REDOR experiment
are as low as 1% or even less, giving access to accurate data for the amplitudes
of backbone mobility. Combining such dipolar-coupling-derived order parameters
with autocorrelated and cross-correlated 15N relaxation rates, we are able to
quantitate amplitudes and correlation times of backbone dynamics on picosecond
and nanosecond time scales in a residue-resolved manner. While the mobility on
picosecond time scales appears to have rather uniform amplitude throughout the
protein, we unambiguously identify and quantitate nanosecond mobility with order
parameters S2 as low as 0.8 in some regions of the protein, where nanosecond dynamics
has also been revealed in solution state. The methodology used here, a combination
of accurate dipolar-coupling measurements and different relaxation parameters,
yields details about dynamics on different time scales and can be applied to solid
protein samples such as amyloid fibrils or membrane proteins.
article_processing_charge: No
article_type: original
author:
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Beat H.
full_name: Meier, Beat H.
last_name: Meier
- first_name: Matthias
full_name: Ernst, Matthias
last_name: Ernst
citation:
ama: Schanda P, Meier BH, Ernst M. Quantitative analysis of protein backbone dynamics
in microcrystalline ubiquitin by solid-state NMR spectroscopy. Journal of the
American Chemical Society. 2010;132(45):15957-15967. doi:10.1021/ja100726a
apa: Schanda, P., Meier, B. H., & Ernst, M. (2010). Quantitative analysis of
protein backbone dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy.
Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja100726a
chicago: Schanda, Paul, Beat H. Meier, and Matthias Ernst. “Quantitative Analysis
of Protein Backbone Dynamics in Microcrystalline Ubiquitin by Solid-State NMR
Spectroscopy.” Journal of the American Chemical Society. American Chemical
Society, 2010. https://doi.org/10.1021/ja100726a.
ieee: P. Schanda, B. H. Meier, and M. Ernst, “Quantitative analysis of protein backbone
dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy,” Journal
of the American Chemical Society, vol. 132, no. 45. American Chemical Society,
pp. 15957–15967, 2010.
ista: Schanda P, Meier BH, Ernst M. 2010. Quantitative analysis of protein backbone
dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy. Journal
of the American Chemical Society. 132(45), 15957–15967.
mla: Schanda, Paul, et al. “Quantitative Analysis of Protein Backbone Dynamics in
Microcrystalline Ubiquitin by Solid-State NMR Spectroscopy.” Journal of the
American Chemical Society, vol. 132, no. 45, American Chemical Society, 2010,
pp. 15957–67, doi:10.1021/ja100726a.
short: P. Schanda, B.H. Meier, M. Ernst, Journal of the American Chemical Society
132 (2010) 15957–15967.
date_created: 2020-09-18T10:11:13Z
date_published: 2010-10-26T00:00:00Z
date_updated: 2021-01-12T08:19:30Z
day: '26'
doi: 10.1021/ja100726a
extern: '1'
intvolume: ' 132'
issue: '45'
language:
- iso: eng
month: '10'
oa_version: None
page: 15957-15967
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Quantitative analysis of protein backbone dynamics in microcrystalline ubiquitin
by solid-state NMR spectroscopy
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 132
year: '2010'
...
---
OA_type: closed access
_id: '18027'
abstract:
- lang: eng
text: We have measured the conductance and characterized molecule−electrode binding
geometries of four pyridine-terminated molecules by elongating and then compressing
gold point contacts in a solution of molecules. We have found that all pyridine-terminated
molecules exhibit bistable conductance signatures, signifying that the nature
of the pyridine−gold bond allows two distinct conductance states that are accessed
as the gold−molecule−gold junction is elongated. We have identified the low-conductance
state as corresponding to a molecule fully stretched out between the gold electrodes,
where the distance between contacts correlates with the length of the molecule;
the high-conductance state is due to a molecule bound at an angle. For all molecules,
we have found that the distribution of junction elongations in the low-conductance
state is the same, while in the high-conductance state, the most likely elongation
length increases linearly with molecule length. The results of first-principles
conductance calculations for the four molecules in the low-conductance geometry
agree well with the experimental results and show that the dominant conducting
channel in the conjugated pyridine-linked molecules is through the π* orbital.
article_processing_charge: No
article_type: original
author:
- first_name: M.
full_name: Kamenetska, M.
last_name: Kamenetska
- first_name: Su Ying
full_name: Quek, Su Ying
last_name: Quek
- first_name: A. C.
full_name: Whalley, A. C.
last_name: Whalley
- first_name: M. L.
full_name: Steigerwald, M. L.
last_name: Steigerwald
- first_name: H. J.
full_name: Choi, H. J.
last_name: Choi
- first_name: Steven G.
full_name: Louie, Steven G.
last_name: Louie
- first_name: C.
full_name: Nuckolls, C.
last_name: Nuckolls
- first_name: M. S.
full_name: Hybertsen, M. S.
last_name: Hybertsen
- first_name: J. B.
full_name: Neaton, J. B.
last_name: Neaton
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Kamenetska M, Quek SY, Whalley AC, et al. Conductance and geometry of pyridine-linked
single-molecule junctions. Journal of the American Chemical Society. 2010;132(19):6817-6821.
doi:10.1021/ja1015348
apa: Kamenetska, M., Quek, S. Y., Whalley, A. C., Steigerwald, M. L., Choi, H. J.,
Louie, S. G., … Venkataraman, L. (2010). Conductance and geometry of pyridine-linked
single-molecule junctions. Journal of the American Chemical Society. American
Chemical Society. https://doi.org/10.1021/ja1015348
chicago: Kamenetska, M., Su Ying Quek, A. C. Whalley, M. L. Steigerwald, H. J. Choi,
Steven G. Louie, C. Nuckolls, M. S. Hybertsen, J. B. Neaton, and Latha Venkataraman.
“Conductance and Geometry of Pyridine-Linked Single-Molecule Junctions.” Journal
of the American Chemical Society. American Chemical Society, 2010. https://doi.org/10.1021/ja1015348.
ieee: M. Kamenetska et al., “Conductance and geometry of pyridine-linked
single-molecule junctions,” Journal of the American Chemical Society, vol.
132, no. 19. American Chemical Society, pp. 6817–6821, 2010.
ista: Kamenetska M, Quek SY, Whalley AC, Steigerwald ML, Choi HJ, Louie SG, Nuckolls
C, Hybertsen MS, Neaton JB, Venkataraman L. 2010. Conductance and geometry of
pyridine-linked single-molecule junctions. Journal of the American Chemical Society.
132(19), 6817–6821.
mla: Kamenetska, M., et al. “Conductance and Geometry of Pyridine-Linked Single-Molecule
Junctions.” Journal of the American Chemical Society, vol. 132, no. 19,
American Chemical Society, 2010, pp. 6817–21, doi:10.1021/ja1015348.
short: M. Kamenetska, S.Y. Quek, A.C. Whalley, M.L. Steigerwald, H.J. Choi, S.G.
Louie, C. Nuckolls, M.S. Hybertsen, J.B. Neaton, L. Venkataraman, Journal of the
American Chemical Society 132 (2010) 6817–6821.
date_created: 2024-09-09T13:46:26Z
date_published: 2010-04-27T00:00:00Z
date_updated: 2025-01-03T10:09:53Z
day: '27'
doi: 10.1021/ja1015348
extern: '1'
external_id:
pmid:
- '20423080'
intvolume: ' 132'
issue: '19'
language:
- iso: eng
month: '04'
oa_version: None
page: 6817-6821
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Conductance and geometry of pyridine-linked single-molecule junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 132
year: '2010'
...
---
_id: '13420'
abstract:
- lang: eng
text: Weakly protected metal nanoparticles (MNPs) are used as precursors for the
preparation of catenane- and pseudorotaxane-decorated NPs of various compositions
(gold, palladium, platinum). When attached to the surface of MNPs, the molecular
switches retain their switching abilities. The redox potentials of these switches
depend on and can be regulated by the composition of the mixed self-assembled
monolayers covering the MNPs.
article_processing_charge: No
article_type: original
author:
- first_name: Rafal
full_name: Klajn, Rafal
id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b
last_name: Klajn
- first_name: Lei
full_name: Fang, Lei
last_name: Fang
- first_name: Ali
full_name: Coskun, Ali
last_name: Coskun
- first_name: Mark A.
full_name: Olson, Mark A.
last_name: Olson
- first_name: Paul J.
full_name: Wesson, Paul J.
last_name: Wesson
- first_name: J. Fraser
full_name: Stoddart, J. Fraser
last_name: Stoddart
- first_name: Bartosz A.
full_name: Grzybowski, Bartosz A.
last_name: Grzybowski
citation:
ama: Klajn R, Fang L, Coskun A, et al. Metal nanoparticles functionalized with molecular
and supramolecular switches. Journal of the American Chemical Society.
2009;131(12):4233-4235. doi:10.1021/ja9001585
apa: Klajn, R., Fang, L., Coskun, A., Olson, M. A., Wesson, P. J., Stoddart, J.
F., & Grzybowski, B. A. (2009). Metal nanoparticles functionalized with molecular
and supramolecular switches. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/ja9001585
chicago: Klajn, Rafal, Lei Fang, Ali Coskun, Mark A. Olson, Paul J. Wesson, J. Fraser
Stoddart, and Bartosz A. Grzybowski. “Metal Nanoparticles Functionalized with
Molecular and Supramolecular Switches.” Journal of the American Chemical Society.
American Chemical Society, 2009. https://doi.org/10.1021/ja9001585.
ieee: R. Klajn et al., “Metal nanoparticles functionalized with molecular
and supramolecular switches,” Journal of the American Chemical Society,
vol. 131, no. 12. American Chemical Society, pp. 4233–4235, 2009.
ista: Klajn R, Fang L, Coskun A, Olson MA, Wesson PJ, Stoddart JF, Grzybowski BA.
2009. Metal nanoparticles functionalized with molecular and supramolecular switches.
Journal of the American Chemical Society. 131(12), 4233–4235.
mla: Klajn, Rafal, et al. “Metal Nanoparticles Functionalized with Molecular and
Supramolecular Switches.” Journal of the American Chemical Society, vol.
131, no. 12, American Chemical Society, 2009, pp. 4233–35, doi:10.1021/ja9001585.
short: R. Klajn, L. Fang, A. Coskun, M.A. Olson, P.J. Wesson, J.F. Stoddart, B.A.
Grzybowski, Journal of the American Chemical Society 131 (2009) 4233–4235.
date_created: 2023-08-01T10:30:17Z
date_published: 2009-04-01T00:00:00Z
date_updated: 2023-08-08T09:06:00Z
day: '01'
doi: 10.1021/ja9001585
extern: '1'
external_id:
pmid:
- '19265400'
intvolume: ' 131'
issue: '12'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '04'
oa_version: None
page: 4233-4235
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Metal nanoparticles functionalized with molecular and supramolecular switches
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 131
year: '2009'
...
---
_id: '8476'
abstract:
- lang: eng
text: Atomic-resolution information on the structure and dynamics of nucleic acids
is essential for a better understanding of the mechanistic basis of many cellular
processes. NMR spectroscopy is a powerful method for studying the structure and
dynamics of nucleic acids; however, solution NMR studies are currently limited
to relatively small nucleic acids at high concentrations. Thus, technological
and methodological improvements that increase the experimental sensitivity and
spectral resolution of NMR spectroscopy are required for studies of larger nucleic
acids or protein−nucleic acid complexes. Here we introduce a series of imino-proton-detected
NMR experiments that yield an over 2-fold increase in sensitivity compared to
conventional pulse schemes. These methods can be applied to the detection of base
pair interactions, RNA−ligand titration experiments, measurement of residual dipolar
15N−1H couplings, and direct measurements of conformational transitions. These
NMR experiments employ longitudinal spin relaxation enhancement techniques that
have proven useful in protein NMR spectroscopy. The performance of these new experiments
is demonstrated for a 10 kDa TAR-TAR*GA RNA kissing complex and a 26 kDa tRNA.
article_processing_charge: No
article_type: original
author:
- first_name: Jonathan
full_name: Farjon, Jonathan
last_name: Farjon
- first_name: Jérôme
full_name: Boisbouvier, Jérôme
last_name: Boisbouvier
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Arthur
full_name: Pardi, Arthur
last_name: Pardi
- first_name: Jean-Pierre
full_name: Simorre, Jean-Pierre
last_name: Simorre
- first_name: Bernhard
full_name: Brutscher, Bernhard
last_name: Brutscher
citation:
ama: Farjon J, Boisbouvier J, Schanda P, Pardi A, Simorre J-P, Brutscher B. Longitudinal-relaxation-enhanced
NMR experiments for the study of nucleic acids in solution. Journal of the
American Chemical Society. 2009;131(24):8571-8577. doi:10.1021/ja901633y
apa: Farjon, J., Boisbouvier, J., Schanda, P., Pardi, A., Simorre, J.-P., &
Brutscher, B. (2009). Longitudinal-relaxation-enhanced NMR experiments for the
study of nucleic acids in solution. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/ja901633y
chicago: Farjon, Jonathan, Jérôme Boisbouvier, Paul Schanda, Arthur Pardi, Jean-Pierre
Simorre, and Bernhard Brutscher. “Longitudinal-Relaxation-Enhanced NMR Experiments
for the Study of Nucleic Acids in Solution.” Journal of the American Chemical
Society. American Chemical Society, 2009. https://doi.org/10.1021/ja901633y.
ieee: J. Farjon, J. Boisbouvier, P. Schanda, A. Pardi, J.-P. Simorre, and B. Brutscher,
“Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids
in solution,” Journal of the American Chemical Society, vol. 131, no. 24.
American Chemical Society, pp. 8571–8577, 2009.
ista: Farjon J, Boisbouvier J, Schanda P, Pardi A, Simorre J-P, Brutscher B. 2009.
Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids
in solution. Journal of the American Chemical Society. 131(24), 8571–8577.
mla: Farjon, Jonathan, et al. “Longitudinal-Relaxation-Enhanced NMR Experiments
for the Study of Nucleic Acids in Solution.” Journal of the American Chemical
Society, vol. 131, no. 24, American Chemical Society, 2009, pp. 8571–77, doi:10.1021/ja901633y.
short: J. Farjon, J. Boisbouvier, P. Schanda, A. Pardi, J.-P. Simorre, B. Brutscher,
Journal of the American Chemical Society 131 (2009) 8571–8577.
date_created: 2020-09-18T10:11:49Z
date_published: 2009-06-01T00:00:00Z
date_updated: 2021-01-12T08:19:32Z
day: '01'
doi: 10.1021/ja901633y
extern: '1'
intvolume: ' 131'
issue: '24'
language:
- iso: eng
month: '06'
oa_version: None
page: 8571-8577
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids
in solution
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 131
year: '2009'
...
---
_id: '8477'
abstract:
- lang: eng
text: An optimized NMR experiment that combines the advantages of methyl-TROSY and
SOFAST-HMQC has been developed. It allows the recording of high quality methyl
1H−13C correlation spectra of protein assemblies of several hundreds of kDa in
a few seconds. The SOFAST-methyl-TROSY-based experiment offers completely new
opportunities for the study of structural and dynamic changes occurring in molecular
nanomachines while they perform their biological function in vitro.
article_processing_charge: No
article_type: original
author:
- first_name: Carlos
full_name: Amero, Carlos
last_name: Amero
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: M. Asunción
full_name: Durá, M. Asunción
last_name: Durá
- first_name: Isabel
full_name: Ayala, Isabel
last_name: Ayala
- first_name: Dominique
full_name: Marion, Dominique
last_name: Marion
- first_name: Bruno
full_name: Franzetti, Bruno
last_name: Franzetti
- first_name: Bernhard
full_name: Brutscher, Bernhard
last_name: Brutscher
- first_name: Jérôme
full_name: Boisbouvier, Jérôme
last_name: Boisbouvier
citation:
ama: Amero C, Schanda P, Durá MA, et al. Fast two-dimensional NMR spectroscopy
of high molecular weight protein assemblies. Journal of the American Chemical
Society. 2009;131(10):3448-3449. doi:10.1021/ja809880p
apa: Amero, C., Schanda, P., Durá, M. A., Ayala, I., Marion, D., Franzetti, B.,
… Boisbouvier, J. (2009). Fast two-dimensional NMR spectroscopy of high molecular
weight protein assemblies. Journal of the American Chemical Society. American
Chemical Society. https://doi.org/10.1021/ja809880p
chicago: Amero, Carlos, Paul Schanda, M. Asunción Durá, Isabel Ayala, Dominique
Marion, Bruno Franzetti, Bernhard Brutscher, and Jérôme Boisbouvier. “Fast Two-Dimensional
NMR Spectroscopy of High Molecular Weight Protein Assemblies.” Journal of the
American Chemical Society. American Chemical Society, 2009. https://doi.org/10.1021/ja809880p.
ieee: C. Amero et al., “Fast two-dimensional NMR spectroscopy of high molecular
weight protein assemblies,” Journal of the American Chemical Society, vol.
131, no. 10. American Chemical Society, pp. 3448–3449, 2009.
ista: Amero C, Schanda P, Durá MA, Ayala I, Marion D, Franzetti B, Brutscher B,
Boisbouvier J. 2009. Fast two-dimensional NMR spectroscopy of high molecular weight
protein assemblies. Journal of the American Chemical Society. 131(10), 3448–3449.
mla: Amero, Carlos, et al. “Fast Two-Dimensional NMR Spectroscopy of High Molecular
Weight Protein Assemblies.” Journal of the American Chemical Society, vol.
131, no. 10, American Chemical Society, 2009, pp. 3448–49, doi:10.1021/ja809880p.
short: C. Amero, P. Schanda, M.A. Durá, I. Ayala, D. Marion, B. Franzetti, B. Brutscher,
J. Boisbouvier, Journal of the American Chemical Society 131 (2009) 3448–3449.
date_created: 2020-09-18T10:12:01Z
date_published: 2009-02-25T00:00:00Z
date_updated: 2021-01-12T08:19:32Z
day: '25'
doi: 10.1021/ja809880p
extern: '1'
intvolume: ' 131'
issue: '10'
language:
- iso: eng
month: '02'
oa_version: None
page: 3448-3449
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Fast two-dimensional NMR spectroscopy of high molecular weight protein assemblies
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 131
year: '2009'
...
---
_id: '8478'
abstract:
- lang: eng
text: Allosteric regulation is an effective mechanism of control in biological processes.
In allosteric proteins a signal originating at one site in the molecule is communicated
through the protein structure to trigger a specific response at a remote site.
Using NMR relaxation dispersion techniques we directly observe the dynamic process
through which the KIX domain of CREB binding protein communicates allosteric information
between binding sites. KIX mediates cooperativity between pairs of transcription
factors through binding to two distinct interaction surfaces in an allosteric
manner. We show that binding the activation domain of the mixed lineage leukemia
(MLL) transcription factor to KIX induces a redistribution of the relative populations
of KIX conformations toward a high-energy state in which the allosterically activated
second binding site is already preformed, consistent with the Monod−Wyman−Changeux
(WMC) model of allostery. The structural rearrangement process that links the
two conformers and by which allosteric information is communicated occurs with
a time constant of 3 ms at 27 °C. Our dynamic NMR data reveal that an evolutionarily
conserved network of hydrophobic amino acids constitutes the pathway through which
information is transmitted.
article_processing_charge: No
article_type: original
author:
- first_name: Sven
full_name: Brüschweiler, Sven
last_name: Brüschweiler
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Karin
full_name: Kloiber, Karin
last_name: Kloiber
- first_name: Bernhard
full_name: Brutscher, Bernhard
last_name: Brutscher
- first_name: Georg
full_name: Kontaxis, Georg
last_name: Kontaxis
- first_name: Robert
full_name: Konrat, Robert
last_name: Konrat
- first_name: Martin
full_name: Tollinger, Martin
last_name: Tollinger
citation:
ama: Brüschweiler S, Schanda P, Kloiber K, et al. Direct observation of the dynamic
process underlying allosteric signal transmission. Journal of the American
Chemical Society. 2009;131(8):3063-3068. doi:10.1021/ja809947w
apa: Brüschweiler, S., Schanda, P., Kloiber, K., Brutscher, B., Kontaxis, G., Konrat,
R., & Tollinger, M. (2009). Direct observation of the dynamic process underlying
allosteric signal transmission. Journal of the American Chemical Society.
American Chemical Society. https://doi.org/10.1021/ja809947w
chicago: Brüschweiler, Sven, Paul Schanda, Karin Kloiber, Bernhard Brutscher, Georg
Kontaxis, Robert Konrat, and Martin Tollinger. “Direct Observation of the Dynamic
Process Underlying Allosteric Signal Transmission.” Journal of the American
Chemical Society. American Chemical Society, 2009. https://doi.org/10.1021/ja809947w.
ieee: S. Brüschweiler et al., “Direct observation of the dynamic process
underlying allosteric signal transmission,” Journal of the American Chemical
Society, vol. 131, no. 8. American Chemical Society, pp. 3063–3068, 2009.
ista: Brüschweiler S, Schanda P, Kloiber K, Brutscher B, Kontaxis G, Konrat R,
Tollinger M. 2009. Direct observation of the dynamic process underlying allosteric
signal transmission. Journal of the American Chemical Society. 131(8), 3063–3068.
mla: Brüschweiler, Sven, et al. “Direct Observation of the Dynamic Process Underlying
Allosteric Signal Transmission.” Journal of the American Chemical Society,
vol. 131, no. 8, American Chemical Society, 2009, pp. 3063–68, doi:10.1021/ja809947w.
short: S. Brüschweiler, P. Schanda, K. Kloiber, B. Brutscher, G. Kontaxis, R. Konrat,
M. Tollinger, Journal of the American Chemical Society 131 (2009) 3063–3068.
date_created: 2020-09-18T10:12:14Z
date_published: 2009-02-09T00:00:00Z
date_updated: 2021-01-12T08:19:33Z
day: '09'
doi: 10.1021/ja809947w
extern: '1'
intvolume: ' 131'
issue: '8'
language:
- iso: eng
month: '02'
oa_version: None
page: 3063-3068
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Direct observation of the dynamic process underlying allosteric signal transmission
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 131
year: '2009'
...
---
OA_type: closed access
_id: '18029'
abstract:
- lang: eng
text: We compare the conductance of 1,4-bis(methylthio)benzene with that of 2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b′]dithiophene
and the conductance of 1,4-bis(methylseleno)benzene with that of 2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b′]diselenophene
and show explicitly that the orientation of an Au−S or Au−Se bond relative to
the aromatic π system controls electron transport through conjugated molecules.
Specifically, we have found that the conduction pathway connects the Au electrodes
to the aromatic π-system via the chalcogen p lone pairs, and greater overlaps
among these components lead to higher conductivity through the molecular junction.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Young S.
full_name: Park, Young S.
last_name: Park
- first_name: Jonathan R.
full_name: Widawsky, Jonathan R.
last_name: Widawsky
- first_name: Maria
full_name: Kamenetska, Maria
last_name: Kamenetska
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- 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: Park YS, Widawsky JR, Kamenetska M, et al. Frustrated rotations in single-molecule
junctions. Journal of the American Chemical Society. 2009;131(31):10820-10821.
doi:10.1021/ja903731m
apa: Park, Y. S., Widawsky, J. R., Kamenetska, M., Steigerwald, M. L., Hybertsen,
M. S., Nuckolls, C., & Venkataraman, L. (2009). Frustrated rotations in single-molecule
junctions. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/ja903731m
chicago: Park, Young S., Jonathan R. Widawsky, Maria Kamenetska, Michael L. Steigerwald,
Mark S. Hybertsen, Colin Nuckolls, and Latha Venkataraman. “Frustrated Rotations
in Single-Molecule Junctions.” Journal of the American Chemical Society.
American Chemical Society, 2009. https://doi.org/10.1021/ja903731m.
ieee: Y. S. Park et al., “Frustrated rotations in single-molecule junctions,”
Journal of the American Chemical Society, vol. 131, no. 31. American Chemical
Society, pp. 10820–10821, 2009.
ista: Park YS, Widawsky JR, Kamenetska M, Steigerwald ML, Hybertsen MS, Nuckolls
C, Venkataraman L. 2009. Frustrated rotations in single-molecule junctions. Journal
of the American Chemical Society. 131(31), 10820–10821.
mla: Park, Young S., et al. “Frustrated Rotations in Single-Molecule Junctions.”
Journal of the American Chemical Society, vol. 131, no. 31, American Chemical
Society, 2009, pp. 10820–21, doi:10.1021/ja903731m.
short: Y.S. Park, J.R. Widawsky, M. Kamenetska, M.L. Steigerwald, M.S. Hybertsen,
C. Nuckolls, L. Venkataraman, Journal of the American Chemical Society 131 (2009)
10820–10821.
date_created: 2024-09-09T13:51:45Z
date_published: 2009-07-17T00:00:00Z
date_updated: 2025-01-03T10:14:29Z
day: '17'
doi: 10.1021/ja903731m
extern: '1'
external_id:
pmid:
- '19722660'
intvolume: ' 131'
issue: '31'
language:
- iso: eng
month: '07'
oa_version: None
page: 10820-10821
pmid: 1
publication: Journal of the American Chemical Society
publication_identifier:
eissn:
- 1520-5126
issn:
- 0002-7863
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Frustrated rotations in single-molecule junctions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 131
year: '2009'
...
---
_id: '8486'
abstract:
- lang: eng
text: A technique is described that allows reducing acquisition times of multidimensional
NMR experiments by extensive spectral folding. The method is simple and has many
interesting applications for NMR studies of molecular structure, dynamics, and
kinetics.
article_processing_charge: No
article_type: original
author:
- first_name: Ewen
full_name: Lescop, Ewen
last_name: Lescop
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Rodolfo
full_name: Rasia, Rodolfo
last_name: Rasia
- first_name: Bernhard
full_name: Brutscher, Bernhard
last_name: Brutscher
citation:
ama: Lescop E, Schanda P, Rasia R, Brutscher B. Automated spectral compression for
fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy.
Journal of the American Chemical Society. 2007;129(10):2756-2757. doi:10.1021/ja068949u
apa: Lescop, E., Schanda, P., Rasia, R., & Brutscher, B. (2007). Automated spectral
compression for fast multidimensional NMR and increased time resolution in real-time
NMR spectroscopy. Journal of the American Chemical Society. American Chemical
Society. https://doi.org/10.1021/ja068949u
chicago: Lescop, Ewen, Paul Schanda, Rodolfo Rasia, and Bernhard Brutscher. “Automated
Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution
in Real-Time NMR Spectroscopy.” Journal of the American Chemical Society.
American Chemical Society, 2007. https://doi.org/10.1021/ja068949u.
ieee: E. Lescop, P. Schanda, R. Rasia, and B. Brutscher, “Automated spectral compression
for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy,”
Journal of the American Chemical Society, vol. 129, no. 10. American Chemical
Society, pp. 2756–2757, 2007.
ista: Lescop E, Schanda P, Rasia R, Brutscher B. 2007. Automated spectral compression
for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy.
Journal of the American Chemical Society. 129(10), 2756–2757.
mla: Lescop, Ewen, et al. “Automated Spectral Compression for Fast Multidimensional
NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” Journal of
the American Chemical Society, vol. 129, no. 10, American Chemical Society,
2007, pp. 2756–57, doi:10.1021/ja068949u.
short: E. Lescop, P. Schanda, R. Rasia, B. Brutscher, Journal of the American Chemical
Society 129 (2007) 2756–2757.
date_created: 2020-09-18T10:13:21Z
date_published: 2007-02-17T00:00:00Z
date_updated: 2021-01-12T08:19:36Z
day: '17'
doi: 10.1021/ja068949u
extern: '1'
intvolume: ' 129'
issue: '10'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '02'
oa_version: None
page: 2756-2757
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: Automated spectral compression for fast multidimensional NMR and increased
time resolution in real-time NMR spectroscopy
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 129
year: '2007'
...
---
_id: '8487'
abstract:
- lang: eng
text: Following unidirectional biophysical events such as the folding of proteins
or the equilibration of binding interactions, requires experimental methods that
yield information at both atomic-level resolution and at high repetition rates.
Toward this end a number of different approaches enabling the rapid acquisition
of 2D NMR spectra have been recently introduced, including spatially encoded “ultrafast”
2D NMR spectroscopy and SOFAST HMQC NMR. Whereas the former accelerates acquisitions
by reducing the number of scans that are necessary for completing arbitrary 2D
NMR experiments, the latter operates by reducing the delay between consecutive
scans while preserving sensitivity. Given the complementarities between these
two approaches it seems natural to combine them into a single tool, enabling the
acquisition of full 2D protein NMR spectra at high repetition rates. We demonstrate
here this capability with the introduction of “ultraSOFAST” HMQC NMR, a spatially
encoded and relaxation-optimized approach that can provide 2D protein correlation
spectra at ∼1 s repetition rates for samples in the ∼2 mM concentration range.
The principles, relative advantages, and current limitations of this new approach
are discussed, and its application is exemplified with a study of the fast hydrogen−deuterium
exchange characterizing amide sites in Ubiquitin.
article_processing_charge: No
article_type: original
author:
- first_name: Maayan
full_name: Gal, Maayan
last_name: Gal
- first_name: Paul
full_name: Schanda, Paul
id: 7B541462-FAF6-11E9-A490-E8DFE5697425
last_name: Schanda
orcid: 0000-0002-9350-7606
- first_name: Bernhard
full_name: Brutscher, Bernhard
last_name: Brutscher
- first_name: Lucio
full_name: Frydman, Lucio
last_name: Frydman
citation:
ama: Gal M, Schanda P, Brutscher B, Frydman L. UltraSOFAST HMQC NMR and the repetitive
acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical
Society. 2007;129(5):1372-1377. doi:10.1021/ja066915g
apa: Gal, M., Schanda, P., Brutscher, B., & Frydman, L. (2007). UltraSOFAST
HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal
of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja066915g
chicago: Gal, Maayan, Paul Schanda, Bernhard Brutscher, and Lucio Frydman. “UltraSOFAST
HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” Journal
of the American Chemical Society. American Chemical Society, 2007. https://doi.org/10.1021/ja066915g.
ieee: M. Gal, P. Schanda, B. Brutscher, and L. Frydman, “UltraSOFAST HMQC NMR and
the repetitive acquisition of 2D protein spectra at Hz rates,” Journal of the
American Chemical Society, vol. 129, no. 5. American Chemical Society, pp.
1372–1377, 2007.
ista: Gal M, Schanda P, Brutscher B, Frydman L. 2007. UltraSOFAST HMQC NMR and the
repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American
Chemical Society. 129(5), 1372–1377.
mla: Gal, Maayan, et al. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of
2D Protein Spectra at Hz Rates.” Journal of the American Chemical Society,
vol. 129, no. 5, American Chemical Society, 2007, pp. 1372–77, doi:10.1021/ja066915g.
short: M. Gal, P. Schanda, B. Brutscher, L. Frydman, Journal of the American Chemical
Society 129 (2007) 1372–1377.
date_created: 2020-09-18T10:13:27Z
date_published: 2007-01-10T00:00:00Z
date_updated: 2021-01-12T08:19:37Z
day: '10'
doi: 10.1021/ja066915g
extern: '1'
intvolume: ' 129'
issue: '5'
keyword:
- Colloid and Surface Chemistry
- Biochemistry
- General Chemistry
- Catalysis
language:
- iso: eng
month: '01'
oa_version: None
page: 1372-1377
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
status: public
title: UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at
Hz rates
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 129
year: '2007'
...