---
_id: '12879'
abstract:
- lang: eng
text: Machine learning (ML) has been widely applied to chemical property prediction,
most prominently for the energies and forces in molecules and materials. The strong
interest in predicting energies in particular has led to a ‘local energy’-based
paradigm for modern atomistic ML models, which ensures size-extensivity and a
linear scaling of computational cost with system size. However, many electronic
properties (such as excitation energies or ionization energies) do not necessarily
scale linearly with system size and may even be spatially localized. Using size-extensive
models in these cases can lead to large errors. In this work, we explore different
strategies for learning intensive and localized properties, using HOMO energies
in organic molecules as a representative test case. In particular, we analyze
the pooling functions that atomistic neural networks use to predict molecular
properties, and suggest an orbital weighted average (OWA) approach that enables
the accurate prediction of orbital energies and locations.
acknowledgement: KC acknowledges funding from the China Scholarship Council. KC is
grateful for the TUM graduate school finance support to visit Bingqing Cheng's group
in IST for two months. We also thankfully acknowledge computational resources provided
by the MPCDF Supercomputing Centre.
article_processing_charge: No
article_type: original
author:
- first_name: Ke
full_name: Chen, Ke
id: c636c5ca-e8b8-11ed-b2d4-cc2c37613a8d
last_name: Chen
- first_name: Christian
full_name: Kunkel, Christian
last_name: Kunkel
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
- first_name: Karsten
full_name: Reuter, Karsten
last_name: Reuter
- first_name: Johannes T.
full_name: Margraf, Johannes T.
last_name: Margraf
citation:
ama: Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. Physics-inspired machine learning
of localized intensive properties. Chemical Science. 2023. doi:10.1039/d3sc00841j
apa: Chen, K., Kunkel, C., Cheng, B., Reuter, K., & Margraf, J. T. (2023). Physics-inspired
machine learning of localized intensive properties. Chemical Science. Royal
Society of Chemistry. https://doi.org/10.1039/d3sc00841j
chicago: Chen, Ke, Christian Kunkel, Bingqing Cheng, Karsten Reuter, and Johannes
T. Margraf. “Physics-Inspired Machine Learning of Localized Intensive Properties.”
Chemical Science. Royal Society of Chemistry, 2023. https://doi.org/10.1039/d3sc00841j.
ieee: K. Chen, C. Kunkel, B. Cheng, K. Reuter, and J. T. Margraf, “Physics-inspired
machine learning of localized intensive properties,” Chemical Science.
Royal Society of Chemistry, 2023.
ista: Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. 2023. Physics-inspired machine
learning of localized intensive properties. Chemical Science.
mla: Chen, Ke, et al. “Physics-Inspired Machine Learning of Localized Intensive
Properties.” Chemical Science, Royal Society of Chemistry, 2023, doi:10.1039/d3sc00841j.
short: K. Chen, C. Kunkel, B. Cheng, K. Reuter, J.T. Margraf, Chemical Science (2023).
date_created: 2023-04-30T22:01:06Z
date_published: 2023-04-10T00:00:00Z
date_updated: 2023-08-01T14:18:10Z
day: '10'
ddc:
- '000'
- '540'
department:
- _id: BiCh
doi: 10.1039/d3sc00841j
external_id:
isi:
- '000971508100001'
file:
- access_level: open_access
checksum: 5eeec69a51e192dcd94b955d84423836
content_type: application/pdf
creator: dernst
date_created: 2023-05-02T07:17:05Z
date_updated: 2023-05-02T07:17:05Z
file_id: '12883'
file_name: 2023_ChemialScience_Chen.pdf
file_size: 1515446
relation: main_file
success: 1
file_date_updated: 2023-05-02T07:17:05Z
has_accepted_license: '1'
isi: 1
language:
- iso: eng
license: https://creativecommons.org/licenses/by/3.0/
month: '04'
oa: 1
oa_version: Published Version
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Physics-inspired machine learning of localized intensive properties
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/3.0/legalcode
name: Creative Commons Attribution 3.0 Unported (CC BY 3.0)
short: CC BY (3.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
year: '2023'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
PlanS_conform: '1'
_id: '20968'
abstract:
- lang: eng
text: Several helically folded aromatic oligoamides were designed and synthesized.
The sequences were all water-soluble thanks to the charged side chains borne by
the monomers. Replacing a few, sometimes only two, charged side chains by neutral
methoxy groups was shown to trigger the formation of various aggregates which
could be tentatively assigned to head-to-head stacked dimers of single helices,
double helical duplexes and a quadruplex, none of which would form in organic
solvent with organic-soluble analogues. The nature of the aggregates was supported
by concentration and solvent dependent NMR studies, 1H DOSY experiments, mass
spectrometry, and X-ray crystallography or energy-minimized models, as well as
analogies with earlier studies. The hydrophobic effect appears to be the main
driving force for aggregation but it can be finely modulated by the presence or
absence of a small number of charges to an extent that had no precedent in aromatic
foldamer architectures. These results will serve as a benchmark for future foldamer
design in water.
article_processing_charge: Yes
article_type: original
author:
- first_name: Binhao
full_name: Teng, Binhao
last_name: Teng
- first_name: Pradeep K
full_name: Mandal, Pradeep K
id: 6a3def15-d4b4-11ef-9fa9-a24c1f545ec3
last_name: Mandal
orcid: 0000-0001-5996-956X
- first_name: Lars
full_name: Allmendinger, Lars
last_name: Allmendinger
- first_name: Céline
full_name: Douat, Céline
last_name: Douat
- first_name: Yann
full_name: Ferrand, Yann
last_name: Ferrand
- first_name: Ivan
full_name: Huc, Ivan
last_name: Huc
citation:
ama: Teng B, Mandal PK, Allmendinger L, Douat C, Ferrand Y, Huc I. Controlling aromatic
helix dimerization in water by tuning charge repulsions. Chemical Science.
2023;14(40):11251-11260. doi:10.1039/d3sc02020g
apa: Teng, B., Mandal, P. K., Allmendinger, L., Douat, C., Ferrand, Y., & Huc,
I. (2023). Controlling aromatic helix dimerization in water by tuning charge repulsions.
Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/d3sc02020g
chicago: Teng, Binhao, Pradeep K Mandal, Lars Allmendinger, Céline Douat, Yann Ferrand,
and Ivan Huc. “Controlling Aromatic Helix Dimerization in Water by Tuning Charge
Repulsions.” Chemical Science. Royal Society of Chemistry, 2023. https://doi.org/10.1039/d3sc02020g.
ieee: B. Teng, P. K. Mandal, L. Allmendinger, C. Douat, Y. Ferrand, and I. Huc,
“Controlling aromatic helix dimerization in water by tuning charge repulsions,”
Chemical Science, vol. 14, no. 40. Royal Society of Chemistry, pp. 11251–11260,
2023.
ista: Teng B, Mandal PK, Allmendinger L, Douat C, Ferrand Y, Huc I. 2023. Controlling
aromatic helix dimerization in water by tuning charge repulsions. Chemical Science.
14(40), 11251–11260.
mla: Teng, Binhao, et al. “Controlling Aromatic Helix Dimerization in Water by Tuning
Charge Repulsions.” Chemical Science, vol. 14, no. 40, Royal Society of
Chemistry, 2023, pp. 11251–60, doi:10.1039/d3sc02020g.
short: B. Teng, P.K. Mandal, L. Allmendinger, C. Douat, Y. Ferrand, I. Huc, Chemical
Science 14 (2023) 11251–11260.
date_created: 2026-01-11T14:35:50Z
date_published: 2023-09-25T00:00:00Z
date_updated: 2026-01-20T07:00:50Z
day: '25'
ddc:
- '540'
doi: 10.1039/d3sc02020g
extern: '1'
external_id:
pmid:
- '37860656'
has_accepted_license: '1'
intvolume: ' 14'
issue: '40'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc/3.0/
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D3SC02020G
month: '09'
oa: 1
oa_version: Published Version
page: 11251-11260
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Controlling aromatic helix dimerization in water by tuning charge repulsions
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2023'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '20969'
abstract:
- lang: eng
text: The diastereoselective assembly of achiral constituents through a single spontaneous
process into complex covalent architectures bearing multiple stereogenic elements
still remains a challenge for synthetic chemists. Here, we show that such an extreme
level of control can be achieved by implementing stereo-electronic information
on synthetic organic building blocks and templates and that non-directional interactions
(i.e., electrostatic and steric interactions) can transfer this information to
deliver, after self-assembly, high-molecular weight macrocyclic species carrying
up to 16 stereogenic elements. Beyond the field of supramolecular chemistry, this
proof of concept should stimulate the on-demand production of highly structured
polyfunctional architectures.
article_processing_charge: Yes
article_type: original
author:
- first_name: Yuan
full_name: Zhang, Yuan
last_name: Zhang
- first_name: Benjamin
full_name: Ourri, Benjamin
last_name: Ourri
- first_name: Pierre-Thomas
full_name: Skowron, Pierre-Thomas
last_name: Skowron
- first_name: Emeric
full_name: Jeamet, Emeric
last_name: Jeamet
- first_name: Titouan
full_name: Chetot, Titouan
last_name: Chetot
- first_name: Christian
full_name: Duchamp, Christian
last_name: Duchamp
- first_name: Ana M.
full_name: Belenguer, Ana M.
last_name: Belenguer
- first_name: Nicolas
full_name: Vanthuyne, Nicolas
last_name: Vanthuyne
- first_name: Olivier
full_name: Cala, Olivier
last_name: Cala
- first_name: Elise
full_name: Dumont, Elise
last_name: Dumont
- first_name: Pradeep K
full_name: Mandal, Pradeep K
id: 6a3def15-d4b4-11ef-9fa9-a24c1f545ec3
last_name: Mandal
orcid: 0000-0001-5996-956X
- first_name: Ivan
full_name: Huc, Ivan
last_name: Huc
- first_name: Florent
full_name: Perret, Florent
last_name: Perret
- first_name: Laurent
full_name: Vial, Laurent
last_name: Vial
- first_name: Julien
full_name: Leclaire, Julien
last_name: Leclaire
citation:
ama: Zhang Y, Ourri B, Skowron P-T, et al. Self-assembly of achiral building blocks
into chiral cyclophanes using non-directional interactions. Chemical Science.
2023;14(26):7126-7135. doi:10.1039/d3sc01235b
apa: Zhang, Y., Ourri, B., Skowron, P.-T., Jeamet, E., Chetot, T., Duchamp, C.,
… Leclaire, J. (2023). Self-assembly of achiral building blocks into chiral cyclophanes
using non-directional interactions. Chemical Science. Royal Society of
Chemistry. https://doi.org/10.1039/d3sc01235b
chicago: Zhang, Yuan, Benjamin Ourri, Pierre-Thomas Skowron, Emeric Jeamet, Titouan
Chetot, Christian Duchamp, Ana M. Belenguer, et al. “Self-Assembly of Achiral
Building Blocks into Chiral Cyclophanes Using Non-Directional Interactions.” Chemical
Science. Royal Society of Chemistry, 2023. https://doi.org/10.1039/d3sc01235b.
ieee: Y. Zhang et al., “Self-assembly of achiral building blocks into chiral
cyclophanes using non-directional interactions,” Chemical Science, vol.
14, no. 26. Royal Society of Chemistry, pp. 7126–7135, 2023.
ista: Zhang Y, Ourri B, Skowron P-T, Jeamet E, Chetot T, Duchamp C, Belenguer AM,
Vanthuyne N, Cala O, Dumont E, Mandal PK, Huc I, Perret F, Vial L, Leclaire J.
2023. Self-assembly of achiral building blocks into chiral cyclophanes using non-directional
interactions. Chemical Science. 14(26), 7126–7135.
mla: Zhang, Yuan, et al. “Self-Assembly of Achiral Building Blocks into Chiral Cyclophanes
Using Non-Directional Interactions.” Chemical Science, vol. 14, no. 26,
Royal Society of Chemistry, 2023, pp. 7126–35, doi:10.1039/d3sc01235b.
short: Y. Zhang, B. Ourri, P.-T. Skowron, E. Jeamet, T. Chetot, C. Duchamp, A.M.
Belenguer, N. Vanthuyne, O. Cala, E. Dumont, P.K. Mandal, I. Huc, F. Perret, L.
Vial, J. Leclaire, Chemical Science 14 (2023) 7126–7135.
date_created: 2026-01-11T14:38:38Z
date_published: 2023-05-24T00:00:00Z
date_updated: 2026-01-20T07:04:16Z
day: '24'
ddc:
- '540'
doi: 10.1039/d3sc01235b
extern: '1'
external_id:
pmid:
- '37416699'
has_accepted_license: '1'
intvolume: ' 14'
issue: '26'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D3SC01235B
month: '05'
oa: 1
oa_version: Published Version
page: 7126-7135
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Self-assembly of achiral building blocks into chiral cyclophanes using non-directional
interactions
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2023'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '20761'
abstract:
- lang: eng
text: We report a convenient protocol for a nitrogen atom insertion into indenes
to afford isoquinolines. The reaction uses a combination of commercially available
phenyliodine(III) diacetate (PIDA) and ammonium carbamate as the nitrogen source
to furnish a wide range of isoquinolines. Various substitution patterns and commonly
used functional groups are well tolerated. The operational simplicity renders
this protocol broadly applicable and has been successfully extended towards the
direct interconversion of cyclopentadienes into the corresponding pyridines. Furthermore,
this strategy enables the facile synthesis of 15N labelled isoquinolines, using
15NH4Cl as a commercial 15N source.
article_processing_charge: Yes
article_type: original
author:
- first_name: Patrick
full_name: Finkelstein, Patrick
last_name: Finkelstein
- first_name: Julia
full_name: Reisenbauer, Julia
id: 51d862e9-36ee-11f0-86d3-8534c85a5496
last_name: Reisenbauer
- first_name: Bence B.
full_name: Botlik, Bence B.
last_name: Botlik
- first_name: Ori
full_name: Green, Ori
last_name: Green
- first_name: Andri
full_name: Florin, Andri
last_name: Florin
- first_name: Bill
full_name: Morandi, Bill
last_name: Morandi
citation:
ama: Finkelstein P, Reisenbauer J, Botlik BB, Green O, Florin A, Morandi B. Nitrogen
atom insertion into indenes to access isoquinolines. Chemical Science.
2023;14(11):2954-2959. doi:10.1039/d2sc06952k
apa: Finkelstein, P., Reisenbauer, J., Botlik, B. B., Green, O., Florin, A., &
Morandi, B. (2023). Nitrogen atom insertion into indenes to access isoquinolines.
Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/d2sc06952k
chicago: Finkelstein, Patrick, Julia Reisenbauer, Bence B. Botlik, Ori Green, Andri
Florin, and Bill Morandi. “Nitrogen Atom Insertion into Indenes to Access Isoquinolines.”
Chemical Science. Royal Society of Chemistry, 2023. https://doi.org/10.1039/d2sc06952k.
ieee: P. Finkelstein, J. Reisenbauer, B. B. Botlik, O. Green, A. Florin, and B.
Morandi, “Nitrogen atom insertion into indenes to access isoquinolines,” Chemical
Science, vol. 14, no. 11. Royal Society of Chemistry, pp. 2954–2959, 2023.
ista: Finkelstein P, Reisenbauer J, Botlik BB, Green O, Florin A, Morandi B. 2023.
Nitrogen atom insertion into indenes to access isoquinolines. Chemical Science.
14(11), 2954–2959.
mla: Finkelstein, Patrick, et al. “Nitrogen Atom Insertion into Indenes to Access
Isoquinolines.” Chemical Science, vol. 14, no. 11, Royal Society of Chemistry,
2023, pp. 2954–59, doi:10.1039/d2sc06952k.
short: P. Finkelstein, J. Reisenbauer, B.B. Botlik, O. Green, A. Florin, B. Morandi,
Chemical Science 14 (2023) 2954–2959.
date_created: 2025-12-09T14:23:59Z
date_published: 2023-02-23T00:00:00Z
date_updated: 2025-12-16T11:18:13Z
day: '23'
ddc:
- '540'
doi: 10.1039/d2sc06952k
extern: '1'
external_id:
pmid:
- '36937579'
has_accepted_license: '1'
intvolume: ' 14'
issue: '11'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D2SC06952K
month: '02'
oa: 1
oa_version: Published Version
page: 2954-2959
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Nitrogen atom insertion into indenes to access isoquinolines
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2023'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '20762'
abstract:
- lang: eng
text: "A metal-free deaminative coupling of non-prefunctionalised benzylamines and
arylboronic acids is reported. In this operationally simple reaction, a primary
amine in benzylamine is converted into a good leaving group in situ using inexpensive
and commercially available isoamyl nitrite as a nitrosating reagent. Lewis-acidic
arylboronic acids are shown to replace mineral acids such as HCl or HBF4 that
are conventionally used in the preparation of aryl diazonium salts. This unlocked
the formation of the corresponding diarylmethanes by forging a new C–C bond in
good yields.\r\n\r\n"
article_processing_charge: Yes
article_type: original
author:
- first_name: Giedre
full_name: Sirvinskaite, Giedre
last_name: Sirvinskaite
- first_name: Julia
full_name: Reisenbauer, Julia
id: 51d862e9-36ee-11f0-86d3-8534c85a5496
last_name: Reisenbauer
- first_name: Bill
full_name: Morandi, Bill
last_name: Morandi
citation:
ama: Sirvinskaite G, Reisenbauer J, Morandi B. Deaminative coupling of benzylamines
and arylboronic acids. Chemical Science. 2023;14(7):1709-1714. doi:10.1039/d2sc06055h
apa: Sirvinskaite, G., Reisenbauer, J., & Morandi, B. (2023). Deaminative coupling
of benzylamines and arylboronic acids. Chemical Science. Royal Society
of Chemistry. https://doi.org/10.1039/d2sc06055h
chicago: Sirvinskaite, Giedre, Julia Reisenbauer, and Bill Morandi. “Deaminative
Coupling of Benzylamines and Arylboronic Acids.” Chemical Science. Royal
Society of Chemistry, 2023. https://doi.org/10.1039/d2sc06055h.
ieee: G. Sirvinskaite, J. Reisenbauer, and B. Morandi, “Deaminative coupling of
benzylamines and arylboronic acids,” Chemical Science, vol. 14, no. 7.
Royal Society of Chemistry, pp. 1709–1714, 2023.
ista: Sirvinskaite G, Reisenbauer J, Morandi B. 2023. Deaminative coupling of benzylamines
and arylboronic acids. Chemical Science. 14(7), 1709–1714.
mla: Sirvinskaite, Giedre, et al. “Deaminative Coupling of Benzylamines and Arylboronic
Acids.” Chemical Science, vol. 14, no. 7, Royal Society of Chemistry, 2023,
pp. 1709–14, doi:10.1039/d2sc06055h.
short: G. Sirvinskaite, J. Reisenbauer, B. Morandi, Chemical Science 14 (2023) 1709–1714.
date_created: 2025-12-09T14:24:17Z
date_published: 2023-01-13T00:00:00Z
date_updated: 2025-12-16T11:17:41Z
day: '13'
doi: 10.1039/d2sc06055h
extern: '1'
external_id:
pmid:
- '36819866'
has_accepted_license: '1'
intvolume: ' 14'
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D2SC06055H
month: '01'
oa: 1
oa_version: Published Version
page: 1709-1714
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Deaminative coupling of benzylamines and arylboronic acids
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2023'
...
---
OA_place: publisher
OA_type: gold
_id: '17866'
abstract:
- lang: eng
text: Electric fields have been used to control and direct chemical reactions in
biochemistry and enzymatic catalysis, yet directly applying external electric
fields to activate reactions in bulk solution and to characterize them ex situ
remains a challenge. Here we utilize the scanning tunneling microscope-based break-junction
technique to investigate the electric field driven homolytic cleavage of the radical
initiator 4-(methylthio)benzoic peroxyanhydride at ambient temperatures in bulk
solution, without the use of co-initiators or photochemical activators. Through
time-dependent ex situ quantification by high performance liquid chromatography
using a UV-vis detector, we find that the electric field catalyzes the reaction.
Importantly, we demonstrate that the reaction rate in a field increases linearly
with the solvent dielectric constant. Using density functional theory calculations,
we show that the applied electric field decreases the dissociation energy of the
O–O bond and stabilizes the product relative to the reactant due to their different
dipole moments.
article_processing_charge: Yes
article_type: original
author:
- first_name: Boyuan
full_name: Zhang, Boyuan
last_name: Zhang
- first_name: Cedric
full_name: Schaack, Cedric
last_name: Schaack
- first_name: Claudia R.
full_name: Prindle, Claudia R.
last_name: Prindle
- first_name: Ethan A.
full_name: Vo, Ethan A.
last_name: Vo
- first_name: Miriam
full_name: Aziz, Miriam
last_name: Aziz
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Timothy C.
full_name: Berkelbach, Timothy C.
last_name: Berkelbach
- 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: Zhang B, Schaack C, Prindle CR, et al. Electric fields drive bond homolysis.
Chemical Science. 2023;14(7):1769-1774. doi:10.1039/d2sc06411a
apa: Zhang, B., Schaack, C., Prindle, C. R., Vo, E. A., Aziz, M., Steigerwald, M.
L., … Venkataraman, L. (2023). Electric fields drive bond homolysis. Chemical
Science. Royal Society of Chemistry. https://doi.org/10.1039/d2sc06411a
chicago: Zhang, Boyuan, Cedric Schaack, Claudia R. Prindle, Ethan A. Vo, Miriam
Aziz, Michael L. Steigerwald, Timothy C. Berkelbach, Colin Nuckolls, and Latha
Venkataraman. “Electric Fields Drive Bond Homolysis.” Chemical Science.
Royal Society of Chemistry, 2023. https://doi.org/10.1039/d2sc06411a.
ieee: B. Zhang et al., “Electric fields drive bond homolysis,” Chemical
Science, vol. 14, no. 7. Royal Society of Chemistry, pp. 1769–1774, 2023.
ista: Zhang B, Schaack C, Prindle CR, Vo EA, Aziz M, Steigerwald ML, Berkelbach
TC, Nuckolls C, Venkataraman L. 2023. Electric fields drive bond homolysis. Chemical
Science. 14(7), 1769–1774.
mla: Zhang, Boyuan, et al. “Electric Fields Drive Bond Homolysis.” Chemical Science,
vol. 14, no. 7, Royal Society of Chemistry, 2023, pp. 1769–74, doi:10.1039/d2sc06411a.
short: B. Zhang, C. Schaack, C.R. Prindle, E.A. Vo, M. Aziz, M.L. Steigerwald, T.C.
Berkelbach, C. Nuckolls, L. Venkataraman, Chemical Science 14 (2023) 1769–1774.
date_created: 2024-09-06T12:59:45Z
date_published: 2023-01-16T00:00:00Z
date_updated: 2024-11-25T15:01:40Z
day: '16'
doi: 10.1039/d2sc06411a
extern: '1'
external_id:
pmid:
- '36819847'
intvolume: ' 14'
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://europepmc.org/article/pmc/pmc9931054
month: '01'
oa: 1
oa_version: Published Version
page: 1769-1774
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
status: public
title: Electric fields drive bond homolysis
type: journal_article
user_id: 68b8ca59-c5b3-11ee-8790-cd641c68093d
volume: 14
year: '2023'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17870'
abstract:
- lang: eng
text: The electric fields created at solid–liquid interfaces are important in heterogeneous
catalysis. Here we describe the Ullmann coupling of aryl iodides on rough gold
surfaces, which we monitor in situ using the scanning tunneling microscope-based
break junction (STM-BJ) and ex situ using mass spectrometry and fluorescence spectroscopy.
We find that this Ullmann coupling reaction occurs only on rough gold surfaces
in polar solvents, the latter of which implicates interfacial electric fields.
These experimental observations are supported by density functional theory calculations
that elucidate the roles of surface roughness and local electric fields on the
reaction. More broadly, this touchstone study offers a facile method to access
and probe in real time an increasingly prominent yet incompletely understood mode
of catalysis.
article_processing_charge: Yes
article_type: original
author:
- first_name: Ilana B.
full_name: Stone, Ilana B.
last_name: Stone
- first_name: Rachel L.
full_name: Starr, Rachel L.
last_name: Starr
- first_name: Norah
full_name: Hoffmann, Norah
last_name: Hoffmann
- first_name: Xiao
full_name: Wang, Xiao
last_name: Wang
- first_name: Austin M.
full_name: Evans, Austin M.
last_name: Evans
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Tristan H.
full_name: Lambert, Tristan H.
last_name: Lambert
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Timothy C.
full_name: Berkelbach, Timothy C.
last_name: Berkelbach
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Stone IB, Starr RL, Hoffmann N, et al. Interfacial electric fields catalyze
Ullmann coupling reactions on gold surfaces. Chemical Science. 2022;13(36):10798-10805.
doi:10.1039/d2sc03780g
apa: Stone, I. B., Starr, R. L., Hoffmann, N., Wang, X., Evans, A. M., Nuckolls,
C., … Venkataraman, L. (2022). Interfacial electric fields catalyze Ullmann coupling
reactions on gold surfaces. Chemical Science. Royal Society of Chemistry.
https://doi.org/10.1039/d2sc03780g
chicago: Stone, Ilana B., Rachel L. Starr, Norah Hoffmann, Xiao Wang, Austin M.
Evans, Colin Nuckolls, Tristan H. Lambert, et al. “Interfacial Electric Fields
Catalyze Ullmann Coupling Reactions on Gold Surfaces.” Chemical Science.
Royal Society of Chemistry, 2022. https://doi.org/10.1039/d2sc03780g.
ieee: I. B. Stone et al., “Interfacial electric fields catalyze Ullmann coupling
reactions on gold surfaces,” Chemical Science, vol. 13, no. 36. Royal Society
of Chemistry, pp. 10798–10805, 2022.
ista: Stone IB, Starr RL, Hoffmann N, Wang X, Evans AM, Nuckolls C, Lambert TH,
Steigerwald ML, Berkelbach TC, Roy X, Venkataraman L. 2022. Interfacial electric
fields catalyze Ullmann coupling reactions on gold surfaces. Chemical Science.
13(36), 10798–10805.
mla: Stone, Ilana B., et al. “Interfacial Electric Fields Catalyze Ullmann Coupling
Reactions on Gold Surfaces.” Chemical Science, vol. 13, no. 36, Royal Society
of Chemistry, 2022, pp. 10798–805, doi:10.1039/d2sc03780g.
short: I.B. Stone, R.L. Starr, N. Hoffmann, X. Wang, A.M. Evans, C. Nuckolls, T.H.
Lambert, M.L. Steigerwald, T.C. Berkelbach, X. Roy, L. Venkataraman, Chemical
Science 13 (2022) 10798–10805.
date_created: 2024-09-06T13:04:27Z
date_published: 2022-09-01T00:00:00Z
date_updated: 2024-12-10T09:29:53Z
day: '01'
doi: 10.1039/d2sc03780g
extern: '1'
intvolume: ' 13'
issue: '36'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D2SC03780G
month: '09'
oa: 1
oa_version: Published Version
page: 10798-10805
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Interfacial electric fields catalyze Ullmann coupling reactions on gold surfaces
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2022'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17874'
abstract:
- lang: eng
text: Redox-active two-dimensional polymers (RA-2DPs) are promising lithium battery
organic cathode materials due to their regular porosities and high chemical stabilities.
However, weak electrical conductivities inherent to the non-conjugated molecular
motifs used thus far limit device performance and the practical relevance of these
materials. We herein address this problem by developing a modular approach to
construct π-conjugated RA-2DPs with a new polycyclic aromatic redox-active building
block PDI-DA. Efficient imine-condensation between PDI-DA and two polyfunctional
amine nodes followed by quantitative alkyl chain removal produced RA-2DPs TAPPy-PDI
and TAPB-PDI as conjugated, porous, polycrystalline networks. In-plane conjugation
and permanent porosity endow these materials with high electrical conductivity
and high ion diffusion rates. As such, both RA-2DPs function as organic cathode
materials with good rate performance and excellent cycling stability. Importantly,
the improved design enables higher areal mass-loadings than were previously available,
which drives a practical demonstration of TAPPy-PDI as the power source for a
series of LED lights. Collectively, this investigation discloses viable synthetic
methodologies and design principles for the realization of high-performance organic
cathode materials.
article_processing_charge: Yes
article_type: original
author:
- first_name: Zexin
full_name: Jin, Zexin
last_name: Jin
- first_name: Qian
full_name: Cheng, Qian
last_name: Cheng
- first_name: Austin M.
full_name: Evans, Austin M.
last_name: Evans
- first_name: Jesse
full_name: Gray, Jesse
last_name: Gray
- first_name: Ruiwen
full_name: Zhang, Ruiwen
last_name: Zhang
- first_name: Si Tong
full_name: Bao, Si Tong
last_name: Bao
- first_name: Fengkai
full_name: Wei, Fengkai
last_name: Wei
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Yuan
full_name: Yang, Yuan
last_name: Yang
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
citation:
ama: Jin Z, Cheng Q, Evans AM, et al. π-Conjugated redox-active two-dimensional
polymers as organic cathode materials. Chemical Science. 2022;13(12):3533-3538.
doi:10.1039/d1sc07157b
apa: Jin, Z., Cheng, Q., Evans, A. M., Gray, J., Zhang, R., Bao, S. T., … Nuckolls,
C. (2022). π-Conjugated redox-active two-dimensional polymers as organic cathode
materials. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/d1sc07157b
chicago: Jin, Zexin, Qian Cheng, Austin M. Evans, Jesse Gray, Ruiwen Zhang, Si Tong
Bao, Fengkai Wei, Latha Venkataraman, Yuan Yang, and Colin Nuckolls. “π-Conjugated
Redox-Active Two-Dimensional Polymers as Organic Cathode Materials.” Chemical
Science. Royal Society of Chemistry, 2022. https://doi.org/10.1039/d1sc07157b.
ieee: Z. Jin et al., “π-Conjugated redox-active two-dimensional polymers
as organic cathode materials,” Chemical Science, vol. 13, no. 12. Royal
Society of Chemistry, pp. 3533–3538, 2022.
ista: Jin Z, Cheng Q, Evans AM, Gray J, Zhang R, Bao ST, Wei F, Venkataraman L,
Yang Y, Nuckolls C. 2022. π-Conjugated redox-active two-dimensional polymers as
organic cathode materials. Chemical Science. 13(12), 3533–3538.
mla: Jin, Zexin, et al. “π-Conjugated Redox-Active Two-Dimensional Polymers as Organic
Cathode Materials.” Chemical Science, vol. 13, no. 12, Royal Society of
Chemistry, 2022, pp. 3533–38, doi:10.1039/d1sc07157b.
short: Z. Jin, Q. Cheng, A.M. Evans, J. Gray, R. Zhang, S.T. Bao, F. Wei, L. Venkataraman,
Y. Yang, C. Nuckolls, Chemical Science 13 (2022) 3533–3538.
date_created: 2024-09-06T13:08:38Z
date_published: 2022-03-08T00:00:00Z
date_updated: 2024-12-10T09:54:17Z
day: '08'
doi: 10.1039/d1sc07157b
extern: '1'
intvolume: ' 13'
issue: '12'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D1SC07157B
month: '03'
oa: 1
oa_version: Published Version
page: 3533-3538
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: π-Conjugated redox-active two-dimensional polymers as organic cathode materials
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 13
year: '2022'
...
---
OA_place: publisher
OA_type: gold
_id: '21081'
abstract:
- lang: eng
text: Macrocyclic peptides are an important class of bioactive substances. When
inserting an aromatic foldamer segment in a macrocyclic peptide, the strong folding
propensity of the former may influence the conformation and alter the properties
of the latter. Such an insertion is relevant because some foldamer–peptide hybrids
have recently been shown to be tolerated by the ribosome, prior to forming macrocycles,
and can thus be produced using an in vitro translation system. We have investigated
the interplay of peptide and foldamer conformations in such hybrid macrocycles.
We show that foldamer helical folding always prevails and stands as a viable means
to stretch, i.e. unfold, peptides in a solvent dependent manner. Conversely, the
peptide systematically has a reciprocal influence and gives rise to strong foldamer
helix handedness bias as well as foldamer helix stabilisation. The hybrid macrocycles
also show resistance towards proteolytic degradation.
article_processing_charge: Yes
article_type: original
author:
- first_name: Sebastian
full_name: Dengler, Sebastian
last_name: Dengler
- first_name: Pradeep K
full_name: Mandal, Pradeep K
id: 6a3def15-d4b4-11ef-9fa9-a24c1f545ec3
last_name: Mandal
orcid: 0000-0001-5996-956X
- first_name: Lars
full_name: Allmendinger, Lars
last_name: Allmendinger
- first_name: Céline
full_name: Douat, Céline
last_name: Douat
- first_name: Ivan
full_name: Huc, Ivan
last_name: Huc
citation:
ama: Dengler S, Mandal PK, Allmendinger L, Douat C, Huc I. Conformational interplay
in hybrid peptide–helical aromatic foldamer macrocycles. Chemical Science.
2021;12(33):11004-11012. doi:10.1039/d1sc03640h
apa: Dengler, S., Mandal, P. K., Allmendinger, L., Douat, C., & Huc, I. (2021).
Conformational interplay in hybrid peptide–helical aromatic foldamer macrocycles.
Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/d1sc03640h
chicago: Dengler, Sebastian, Pradeep K Mandal, Lars Allmendinger, Céline Douat,
and Ivan Huc. “Conformational Interplay in Hybrid Peptide–Helical Aromatic Foldamer
Macrocycles.” Chemical Science. Royal Society of Chemistry, 2021. https://doi.org/10.1039/d1sc03640h.
ieee: S. Dengler, P. K. Mandal, L. Allmendinger, C. Douat, and I. Huc, “Conformational
interplay in hybrid peptide–helical aromatic foldamer macrocycles,” Chemical
Science, vol. 12, no. 33. Royal Society of Chemistry, pp. 11004–11012, 2021.
ista: Dengler S, Mandal PK, Allmendinger L, Douat C, Huc I. 2021. Conformational
interplay in hybrid peptide–helical aromatic foldamer macrocycles. Chemical Science.
12(33), 11004–11012.
mla: Dengler, Sebastian, et al. “Conformational Interplay in Hybrid Peptide–Helical
Aromatic Foldamer Macrocycles.” Chemical Science, vol. 12, no. 33, Royal
Society of Chemistry, 2021, pp. 11004–12, doi:10.1039/d1sc03640h.
short: S. Dengler, P.K. Mandal, L. Allmendinger, C. Douat, I. Huc, Chemical Science
12 (2021) 11004–11012.
date_created: 2026-01-29T15:15:12Z
date_published: 2021-07-27T00:00:00Z
date_updated: 2026-02-20T06:57:41Z
day: '27'
ddc:
- '540'
doi: 10.1039/d1sc03640h
extern: '1'
has_accepted_license: '1'
intvolume: ' 12'
issue: '33'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D1SC03640H
month: '07'
oa: 1
oa_version: Published Version
page: 11004-11012
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
status: public
title: Conformational interplay in hybrid peptide–helical aromatic foldamer macrocycles
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2021'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17899'
abstract:
- lang: eng
text: Designing highly insulating sub-nanometer molecules is difficult because tunneling
conductance increases exponentially with decreasing molecular length. This challenge
is further enhanced by the fact that most molecules cannot achieve full conductance
suppression with destructive quantum interference. Here, we present results for
a series of small saturated heterocyclic alkanes where we show that conductance
is suppressed due to destructive interference. Using the STM-BJ technique and
density functional theory calculations, we confirm that their single-molecule
junction conductance is lower than analogous alkanes of similar length. We rationalize
the suppression of conductance in the junctions through analysis of the computed
ballistic current density. We find there are highly symmetric ring currents, which
reverse direction at the antiresonance in the Landauer transmission near the Fermi
energy. This pattern has not been seen in earlier studies of larger bicyclic systems
exhibiting interference effects and constitutes clear-cut evidence of destructive
σ-interference. The finding of heterocyclic alkanes with destructive quantum interference
charts a pathway for chemical design of short molecular insulators using organic
molecules.
article_processing_charge: Yes
article_type: original
author:
- first_name: Boyuan
full_name: Zhang, Boyuan
last_name: Zhang
- first_name: Marc H.
full_name: Garner, Marc H.
last_name: Garner
- first_name: Liang
full_name: Li, Liang
last_name: Li
- first_name: Luis M.
full_name: Campos, Luis M.
last_name: Campos
- first_name: Gemma C.
full_name: Solomon, Gemma C.
last_name: Solomon
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: 'Zhang B, Garner MH, Li L, Campos LM, Solomon GC, Venkataraman L. Destructive
quantum interference in heterocyclic alkanes: The search for ultra-short molecular
insulators. Chemical Science. 2021;12(30):10299-10305. doi:10.1039/d1sc02287c'
apa: 'Zhang, B., Garner, M. H., Li, L., Campos, L. M., Solomon, G. C., & Venkataraman,
L. (2021). Destructive quantum interference in heterocyclic alkanes: The search
for ultra-short molecular insulators. Chemical Science. Royal Society of
Chemistry. https://doi.org/10.1039/d1sc02287c'
chicago: 'Zhang, Boyuan, Marc H. Garner, Liang Li, Luis M. Campos, Gemma C. Solomon,
and Latha Venkataraman. “Destructive Quantum Interference in Heterocyclic Alkanes:
The Search for Ultra-Short Molecular Insulators.” Chemical Science. Royal
Society of Chemistry, 2021. https://doi.org/10.1039/d1sc02287c.'
ieee: 'B. Zhang, M. H. Garner, L. Li, L. M. Campos, G. C. Solomon, and L. Venkataraman,
“Destructive quantum interference in heterocyclic alkanes: The search for ultra-short
molecular insulators,” Chemical Science, vol. 12, no. 30. Royal Society
of Chemistry, pp. 10299–10305, 2021.'
ista: 'Zhang B, Garner MH, Li L, Campos LM, Solomon GC, Venkataraman L. 2021. Destructive
quantum interference in heterocyclic alkanes: The search for ultra-short molecular
insulators. Chemical Science. 12(30), 10299–10305.'
mla: 'Zhang, Boyuan, et al. “Destructive Quantum Interference in Heterocyclic Alkanes:
The Search for Ultra-Short Molecular Insulators.” Chemical Science, vol.
12, no. 30, Royal Society of Chemistry, 2021, pp. 10299–305, doi:10.1039/d1sc02287c.'
short: B. Zhang, M.H. Garner, L. Li, L.M. Campos, G.C. Solomon, L. Venkataraman,
Chemical Science 12 (2021) 10299–10305.
date_created: 2024-09-09T06:42:54Z
date_published: 2021-06-30T00:00:00Z
date_updated: 2024-12-10T10:11:16Z
day: '30'
doi: 10.1039/d1sc02287c
extern: '1'
external_id:
pmid:
- '34476051'
intvolume: ' 12'
issue: '30'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/D1SC02287C
month: '06'
oa: 1
oa_version: Published Version
page: 10299-10305
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Destructive quantum interference in heterocyclic alkanes: The search for ultra-short
molecular insulators'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 12
year: '2021'
...
---
_id: '10350'
abstract:
- lang: eng
text: The misfolding and aberrant aggregation of proteins into fibrillar structures
is a key factor in some of the most prevalent human diseases, including diabetes
and dementia. Low molecular weight oligomers are thought to be a central factor
in the pathology of these diseases, as well as critical intermediates in the fibril
formation process, and as such have received much recent attention. Moreover,
on-pathway oligomeric intermediates are potential targets for therapeutic strategies
aimed at interrupting the fibril formation process. However, a consistent framework
for distinguishing on-pathway from off-pathway oligomers has hitherto been lacking
and, in particular, no consensus definition of on- and off-pathway oligomers is
available. In this paper, we argue that a non-binary definition of oligomers'
contribution to fibril-forming pathways may be more informative and we suggest
a quantitative framework, in which each oligomeric species is assigned a value
between 0 and 1 describing its relative contribution to the formation of fibrils.
First, we clarify the distinction between oligomers and fibrils, and then we use
the formalism of reaction networks to develop a general definition for on-pathway
oligomers, that yields meaningful classifications in the context of amyloid formation.
By applying these concepts to Monte Carlo simulations of a minimal aggregating
system, and by revisiting several previous studies of amyloid oligomers in light
of our new framework, we demonstrate how to perform these classifications in practice.
For each oligomeric species we obtain the degree to which it is on-pathway, highlighting
the most effective pharmaceutical targets for the inhibition of amyloid fibril
formation.
acknowledgement: We are grateful to the Schiff Foundation (AJD), Peterhouse, Cambridge
(TCTM), the Swiss National Science foundation (TCTM), Ramon Jenkins Fellowship,
Sidney Sussex, Cambridge (GM), the Royal Society (AŠ), the Academy of Medical Sciences
and Wellcome Trust (AŠ), the Danish Research Council (MK), the Lundbeck Foundation
(MK), the Swedish Research Council (SL), the Wellcome Trust (TPJK), the Cambridge
Centre for Misfolding Diseases (TPJK), the BBSRC (TPJK), the Frances and Augustus
Newman Foundation (TPJK) for financial support. The research leading to these results
has received funding from the European Research Council under the European Union's
Seventh Framework Programme (FP7/2007-2013) through the ERC grants PhysProt (agreement
no. 337969), MAMBA (agreement no. 340890) and NovoNordiskFonden (SL).
article_processing_charge: No
article_type: original
author:
- first_name: Alexander J.
full_name: Dear, Alexander J.
last_name: Dear
- first_name: Georg
full_name: Meisl, Georg
last_name: Meisl
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Thomas C. T.
full_name: Michaels, Thomas C. T.
last_name: Michaels
- first_name: Magnus
full_name: Kjaergaard, Magnus
last_name: Kjaergaard
- first_name: Sara
full_name: Linse, Sara
last_name: Linse
- first_name: Tuomas P. J.
full_name: Knowles, Tuomas P. J.
last_name: Knowles
citation:
ama: Dear AJ, Meisl G, Šarić A, et al. Identification of on- and off-pathway oligomers
in amyloid fibril formation. Chemical Science. 2020;11(24):6236-6247. doi:10.1039/c9sc06501f
apa: Dear, A. J., Meisl, G., Šarić, A., Michaels, T. C. T., Kjaergaard, M., Linse,
S., & Knowles, T. P. J. (2020). Identification of on- and off-pathway oligomers
in amyloid fibril formation. Chemical Science. Royal Society of Chemistry.
https://doi.org/10.1039/c9sc06501f
chicago: Dear, Alexander J., Georg Meisl, Anđela Šarić, Thomas C. T. Michaels, Magnus
Kjaergaard, Sara Linse, and Tuomas P. J. Knowles. “Identification of On- and off-Pathway
Oligomers in Amyloid Fibril Formation.” Chemical Science. Royal Society
of Chemistry, 2020. https://doi.org/10.1039/c9sc06501f.
ieee: A. J. Dear et al., “Identification of on- and off-pathway oligomers
in amyloid fibril formation,” Chemical Science, vol. 11, no. 24. Royal
Society of Chemistry, pp. 6236–6247, 2020.
ista: Dear AJ, Meisl G, Šarić A, Michaels TCT, Kjaergaard M, Linse S, Knowles TPJ.
2020. Identification of on- and off-pathway oligomers in amyloid fibril formation.
Chemical Science. 11(24), 6236–6247.
mla: Dear, Alexander J., et al. “Identification of On- and off-Pathway Oligomers
in Amyloid Fibril Formation.” Chemical Science, vol. 11, no. 24, Royal
Society of Chemistry, 2020, pp. 6236–47, doi:10.1039/c9sc06501f.
short: A.J. Dear, G. Meisl, A. Šarić, T.C.T. Michaels, M. Kjaergaard, S. Linse,
T.P.J. Knowles, Chemical Science 11 (2020) 6236–6247.
date_created: 2021-11-26T09:08:19Z
date_published: 2020-06-08T00:00:00Z
date_updated: 2021-11-26T11:21:20Z
day: '08'
doi: 10.1039/c9sc06501f
extern: '1'
external_id:
pmid:
- '32953019'
intvolume: ' 11'
issue: '24'
keyword:
- general chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://pubs.rsc.org/en/content/articlehtml/2020/sc/c9sc06501f
month: '06'
oa: 1
oa_version: Published Version
page: 6236-6247
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Identification of on- and off-pathway oligomers in amyloid fibril formation
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 11
year: '2020'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17924'
abstract:
- lang: eng
text: We demonstrate that imidazole based π–π stacked dimers form strong and efficient
conductance pathways in single-molecule junctions using the scanning-tunneling
microscope-break junction (STM-BJ) technique and density functional theory-based
calculations. We first characterize an imidazole-gold contact by measuring the
conductance of imidazolyl-terminated alkanes (im-N-im, N = 3–6). We show that
the conductance of these alkanes decays exponentially with increasing length,
indicating that the mechanism for electron transport is through tunneling or super-exchange.
We also reveal that π–π stacked dimers can be formed between imidazoles and have
better coupling than through-bond tunneling. These experimental results are rationalized
by calculations of molecular junction transmission using non-equilibrium Green's
function formalism. This study verifies the capability of imidazole as a Au-binding
ligand to form stable single- and π-stacked molecule junctions at room temperature.
article_processing_charge: Yes
article_type: original
author:
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Shanelle
full_name: Smith, Shanelle
last_name: Smith
- first_name: María
full_name: Camarasa-Gómez, María
last_name: Camarasa-Gómez
- first_name: Xiaofang
full_name: Yu, Xiaofang
last_name: Yu
- first_name: Jiayi
full_name: Xue, Jiayi
last_name: Xue
- first_name: Colin
full_name: Nuckolls, Colin
last_name: Nuckolls
- first_name: Ferdinand
full_name: Evers, Ferdinand
last_name: Evers
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Sujun
full_name: Wei, Sujun
last_name: Wei
citation:
ama: Fu T, Smith S, Camarasa-Gómez M, et al. Enhanced coupling through π-stacking
in imidazole-based molecular junctions. Chemical Science. 2019;10(43):9998-10002.
doi:10.1039/c9sc03760h
apa: Fu, T., Smith, S., Camarasa-Gómez, M., Yu, X., Xue, J., Nuckolls, C., … Wei,
S. (2019). Enhanced coupling through π-stacking in imidazole-based molecular junctions.
Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c9sc03760h
chicago: Fu, Tianren, Shanelle Smith, María Camarasa-Gómez, Xiaofang Yu, Jiayi Xue,
Colin Nuckolls, Ferdinand Evers, Latha Venkataraman, and Sujun Wei. “Enhanced
Coupling through π-Stacking in Imidazole-Based Molecular Junctions.” Chemical
Science. Royal Society of Chemistry, 2019. https://doi.org/10.1039/c9sc03760h.
ieee: T. Fu et al., “Enhanced coupling through π-stacking in imidazole-based
molecular junctions,” Chemical Science, vol. 10, no. 43. Royal Society
of Chemistry, pp. 9998–10002, 2019.
ista: Fu T, Smith S, Camarasa-Gómez M, Yu X, Xue J, Nuckolls C, Evers F, Venkataraman
L, Wei S. 2019. Enhanced coupling through π-stacking in imidazole-based molecular
junctions. Chemical Science. 10(43), 9998–10002.
mla: Fu, Tianren, et al. “Enhanced Coupling through π-Stacking in Imidazole-Based
Molecular Junctions.” Chemical Science, vol. 10, no. 43, Royal Society
of Chemistry, 2019, pp. 9998–10002, doi:10.1039/c9sc03760h.
short: T. Fu, S. Smith, M. Camarasa-Gómez, X. Yu, J. Xue, C. Nuckolls, F. Evers,
L. Venkataraman, S. Wei, Chemical Science 10 (2019) 9998–10002.
date_created: 2024-09-09T07:49:24Z
date_published: 2019-09-16T00:00:00Z
date_updated: 2024-12-11T08:08:34Z
day: '16'
doi: 10.1039/c9sc03760h
extern: '1'
external_id:
pmid:
- '32055356'
intvolume: ' 10'
issue: '43'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/C9SC03760H
month: '09'
oa: 1
oa_version: Published Version
page: 9998-10002
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Enhanced coupling through π-stacking in imidazole-based molecular junctions
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2019'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17925'
abstract:
- lang: eng
text: Recent years have seen tremendous progress towards understanding the relation
between the molecular structure and function of organic field effect transistors.
The metrics for organic field effect transistors, which are characterized by mobility
and the on/off ratio, are known to be enhanced when the intermolecular interaction
is strong and the intramolecular reorganization energy is low. While these requirements
are adequate when describing organic field effect transistors with simple and
planar aromatic molecular components, they are insufficient for complex building
blocks, which have the potential to localize a carrier on the molecule. Here,
we show that intramolecular conductivity can play a role in controlling device
characteristics of organic field effect transistors made with macrocycle building
blocks. We use two isomeric macrocyclic semiconductors that consist of perylene
diimides linked with bithiophenes and find that the trans-linked macrocycle has
a higher mobility than the cis-based device. Through a combination of single molecule
junction conductance measurements of the components of the macrocycles, control
experiments with acyclic counterparts to the macrocycles, and analyses of each
of the materials using spectroscopy, electrochemistry, and density functional
theory, we attribute the difference in electron mobility of the OFETs created
with the two isomers to the difference in intramolecular conductivity of the two
macrocycles.
article_processing_charge: Yes
article_type: original
author:
- first_name: Melissa L.
full_name: Ball, Melissa L.
last_name: Ball
- first_name: Boyuan
full_name: Zhang, Boyuan
last_name: Zhang
- first_name: Tianren
full_name: Fu, Tianren
last_name: Fu
- first_name: Ayden M.
full_name: Schattman, Ayden M.
last_name: Schattman
- first_name: Daniel W.
full_name: Paley, Daniel W.
last_name: Paley
- first_name: Fay
full_name: Ng, Fay
last_name: Ng
- 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
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
citation:
ama: Ball ML, Zhang B, Fu T, et al. The importance of intramolecular conductivity
in three dimensional molecular solids. Chemical Science. 2019;10(40):9339-9344.
doi:10.1039/c9sc03144h
apa: Ball, M. L., Zhang, B., Fu, T., Schattman, A. M., Paley, D. W., Ng, F., … Steigerwald,
M. L. (2019). The importance of intramolecular conductivity in three dimensional
molecular solids. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c9sc03144h
chicago: Ball, Melissa L., Boyuan Zhang, Tianren Fu, Ayden M. Schattman, Daniel
W. Paley, Fay Ng, Latha Venkataraman, Colin Nuckolls, and Michael L. Steigerwald.
“The Importance of Intramolecular Conductivity in Three Dimensional Molecular
Solids.” Chemical Science. Royal Society of Chemistry, 2019. https://doi.org/10.1039/c9sc03144h.
ieee: M. L. Ball et al., “The importance of intramolecular conductivity in
three dimensional molecular solids,” Chemical Science, vol. 10, no. 40.
Royal Society of Chemistry, pp. 9339–9344, 2019.
ista: Ball ML, Zhang B, Fu T, Schattman AM, Paley DW, Ng F, Venkataraman L, Nuckolls
C, Steigerwald ML. 2019. The importance of intramolecular conductivity in three
dimensional molecular solids. Chemical Science. 10(40), 9339–9344.
mla: Ball, Melissa L., et al. “The Importance of Intramolecular Conductivity in
Three Dimensional Molecular Solids.” Chemical Science, vol. 10, no. 40,
Royal Society of Chemistry, 2019, pp. 9339–44, doi:10.1039/c9sc03144h.
short: M.L. Ball, B. Zhang, T. Fu, A.M. Schattman, D.W. Paley, F. Ng, L. Venkataraman,
C. Nuckolls, M.L. Steigerwald, Chemical Science 10 (2019) 9339–9344.
date_created: 2024-09-09T07:51:38Z
date_published: 2019-08-28T00:00:00Z
date_updated: 2024-12-11T08:12:09Z
day: '28'
doi: 10.1039/c9sc03144h
extern: '1'
external_id:
pmid:
- '32110297'
intvolume: ' 10'
issue: '40'
language:
- iso: eng
month: '08'
oa_version: Published Version
page: 9339-9344
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: The importance of intramolecular conductivity in three dimensional molecular
solids
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2019'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17926'
abstract:
- lang: eng
text: N-heterocyclic carbenes (NHCs) bind very strongly to transition metals due
to their unique electronic structure featuring a divalent carbon atom with a lone
pair in a highly directional sp2-hybridized orbital. As such, they can be assembled
into monolayers on metal surfaces that have enhanced stability compared to their
thiol-based counterparts. The utility of NHCs to form such robust self-assembled
monolayers (SAMs) was only recently recognized and many fundamental questions
remain. Here we investigate the structure and geometry of a series of NHCs on
Au(111) using high-resolution X-ray photoelectron spectroscopy and density functional
theory calculations. We find that the N-substituents on the NHC ring strongly
affect the molecule–metal interaction and steer the orientation of molecules in
the surface layer. In contrast to previous reports, our experimental and theoretical
results provide unequivocal evidence that NHCs with N-methyl substituents bind
to undercoordinated adatoms to form flat-lying complexes. In these SAMs, the donor–acceptor
interaction between the NHC lone pair and the undercoordinated Au adatom is primarily
responsible for the strong bonding of the molecules to the surface. NHCs with
bulkier N-substituents prevent the formation of such complexes by forcing the
molecules into an upright orientation. Our work provides unique insights into
the bonding and geometry of NHC monolayers; more generally, it charts a clear
path to manipulating the interaction between NHCs and metal surfaces using traditional
coordination chemistry synthetic strategies.
article_processing_charge: Yes
article_type: original
author:
- first_name: Giacomo
full_name: Lovat, Giacomo
last_name: Lovat
- first_name: Evan A.
full_name: Doud, Evan A.
last_name: Doud
- first_name: Deyu
full_name: Lu, Deyu
last_name: Lu
- first_name: Gregor
full_name: Kladnik, Gregor
last_name: Kladnik
- first_name: Michael S.
full_name: Inkpen, Michael S.
last_name: Inkpen
- first_name: Michael L.
full_name: Steigerwald, Michael L.
last_name: Steigerwald
- first_name: Dean
full_name: Cvetko, Dean
last_name: Cvetko
- first_name: Mark S.
full_name: Hybertsen, Mark S.
last_name: Hybertsen
- first_name: Alberto
full_name: Morgante, Alberto
last_name: Morgante
- first_name: Xavier
full_name: Roy, Xavier
last_name: Roy
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Lovat G, Doud EA, Lu D, et al. Determination of the structure and geometry
of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. Chemical
Science. 2019;10(3):930-935. doi:10.1039/c8sc03502d
apa: Lovat, G., Doud, E. A., Lu, D., Kladnik, G., Inkpen, M. S., Steigerwald, M.
L., … Venkataraman, L. (2019). Determination of the structure and geometry of
N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. Chemical
Science. Royal Society of Chemistry. https://doi.org/10.1039/c8sc03502d
chicago: Lovat, Giacomo, Evan A. Doud, Deyu Lu, Gregor Kladnik, Michael S. Inkpen,
Michael L. Steigerwald, Dean Cvetko, et al. “Determination of the Structure and
Geometry of N-Heterocyclic Carbenes on Au(111) Using High-Resolution Spectroscopy.”
Chemical Science. Royal Society of Chemistry, 2019. https://doi.org/10.1039/c8sc03502d.
ieee: G. Lovat et al., “Determination of the structure and geometry of N-heterocyclic
carbenes on Au(111) using high-resolution spectroscopy,” Chemical Science,
vol. 10, no. 3. Royal Society of Chemistry, pp. 930–935, 2019.
ista: Lovat G, Doud EA, Lu D, Kladnik G, Inkpen MS, Steigerwald ML, Cvetko D, Hybertsen
MS, Morgante A, Roy X, Venkataraman L. 2019. Determination of the structure and
geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy.
Chemical Science. 10(3), 930–935.
mla: Lovat, Giacomo, et al. “Determination of the Structure and Geometry of N-Heterocyclic
Carbenes on Au(111) Using High-Resolution Spectroscopy.” Chemical Science,
vol. 10, no. 3, Royal Society of Chemistry, 2019, pp. 930–35, doi:10.1039/c8sc03502d.
short: G. Lovat, E.A. Doud, D. Lu, G. Kladnik, M.S. Inkpen, M.L. Steigerwald, D.
Cvetko, M.S. Hybertsen, A. Morgante, X. Roy, L. Venkataraman, Chemical Science
10 (2019) 930–935.
date_created: 2024-09-09T07:52:37Z
date_published: 2019-03-01T00:00:00Z
date_updated: 2024-12-11T08:18:23Z
day: '01'
doi: 10.1039/c8sc03502d
extern: '1'
external_id:
pmid:
- '30774887'
intvolume: ' 10'
issue: '3'
language:
- iso: eng
month: '03'
oa_version: Published Version
page: 930-935
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Determination of the structure and geometry of N-heterocyclic carbenes on Au(111)
using high-resolution spectroscopy
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2019'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '21096'
abstract:
- lang: eng
text: 'By using a combination of readily accessible experimental and computational
experiments in water, we explored the factors governing the association between
polyanionic dyn[4]arene and a series of α,ω-alkyldiammonium ions of increasing
chain length. We found that the lock-and-key concept based on the best match between
the apolar and polar regions of the molecular partners failed to explain the observed
selectivities. Instead, the dissection of the energetic and structural contributions
demonstrated that the binding events were actually guided by two crucial solvent-related
phenomena as the chain length of the guest increases: the expected decrease of
the enthalpic cost of guest desolvation and the unexpected increase of the favourable
enthalpy of complex solvation. By bringing to light the decisive enthalpic impact
of complex solvation during the binding of polyelectrolytes by inclusion, this
study may provide a missing piece to a puzzle that one day could display the global
picture of molecular recognition in water.'
article_processing_charge: No
article_type: original
author:
- first_name: Emeric
full_name: Jeamet, Emeric
last_name: Jeamet
- first_name: Jean
full_name: Septavaux, Jean
last_name: Septavaux
- first_name: Alexandre
full_name: Héloin, Alexandre
last_name: Héloin
- first_name: Marion
full_name: Donnier-Maréchal, Marion
last_name: Donnier-Maréchal
- first_name: Melissa
full_name: Dumartin, Melissa
last_name: Dumartin
- first_name: Benjamin
full_name: Ourri, Benjamin
last_name: Ourri
- first_name: Pradeep K
full_name: Mandal, Pradeep K
id: 6a3def15-d4b4-11ef-9fa9-a24c1f545ec3
last_name: Mandal
orcid: 0000-0001-5996-956X
- first_name: Ivan
full_name: Huc, Ivan
last_name: Huc
- first_name: Emmanuelle
full_name: Bignon, Emmanuelle
last_name: Bignon
- first_name: Elise
full_name: Dumont, Elise
last_name: Dumont
- first_name: Christophe
full_name: Morell, Christophe
last_name: Morell
- first_name: Jean-Patrick
full_name: Francoia, Jean-Patrick
last_name: Francoia
- first_name: Florent
full_name: Perret, Florent
last_name: Perret
- first_name: Laurent
full_name: Vial, Laurent
last_name: Vial
- first_name: Julien
full_name: Leclaire, Julien
last_name: Leclaire
citation:
ama: Jeamet E, Septavaux J, Héloin A, et al. Wetting the lock and key enthalpically
favours polyelectrolyte binding. Chemical Science. 2018;10(1):277-283.
doi:10.1039/c8sc02966k
apa: Jeamet, E., Septavaux, J., Héloin, A., Donnier-Maréchal, M., Dumartin, M.,
Ourri, B., … Leclaire, J. (2018). Wetting the lock and key enthalpically favours
polyelectrolyte binding. Chemical Science. Royal Society of Chemistry.
https://doi.org/10.1039/c8sc02966k
chicago: Jeamet, Emeric, Jean Septavaux, Alexandre Héloin, Marion Donnier-Maréchal,
Melissa Dumartin, Benjamin Ourri, Pradeep K Mandal, et al. “Wetting the Lock and
Key Enthalpically Favours Polyelectrolyte Binding.” Chemical Science. Royal
Society of Chemistry, 2018. https://doi.org/10.1039/c8sc02966k.
ieee: E. Jeamet et al., “Wetting the lock and key enthalpically favours polyelectrolyte
binding,” Chemical Science, vol. 10, no. 1. Royal Society of Chemistry,
pp. 277–283, 2018.
ista: Jeamet E, Septavaux J, Héloin A, Donnier-Maréchal M, Dumartin M, Ourri B,
Mandal PK, Huc I, Bignon E, Dumont E, Morell C, Francoia J-P, Perret F, Vial L,
Leclaire J. 2018. Wetting the lock and key enthalpically favours polyelectrolyte
binding. Chemical Science. 10(1), 277–283.
mla: Jeamet, Emeric, et al. “Wetting the Lock and Key Enthalpically Favours Polyelectrolyte
Binding.” Chemical Science, vol. 10, no. 1, Royal Society of Chemistry,
2018, pp. 277–83, doi:10.1039/c8sc02966k.
short: E. Jeamet, J. Septavaux, A. Héloin, M. Donnier-Maréchal, M. Dumartin, B.
Ourri, P.K. Mandal, I. Huc, E. Bignon, E. Dumont, C. Morell, J.-P. Francoia, F.
Perret, L. Vial, J. Leclaire, Chemical Science 10 (2018) 277–283.
date_created: 2026-01-29T21:20:24Z
date_published: 2018-10-08T00:00:00Z
date_updated: 2026-02-23T10:00:16Z
day: '08'
doi: 10.1039/c8sc02966k
extern: '1'
has_accepted_license: '1'
intvolume: ' 10'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/C8SC02966K
month: '10'
oa: 1
oa_version: Published Version
page: 277-283
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
status: public
title: Wetting the lock and key enthalpically favours polyelectrolyte binding
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2018'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '21098'
abstract:
- lang: eng
text: The growth of crystals of aromatic compounds from water much depends on the
nature of the water solubilizing functions that they carry. Rationalizing crystallization
from water, and structure elucidation, of aromatic molecular and supramolecular
systems is of general value across various fields of chemistry. Taking helical
aromatic foldamers as a test case, we have validated several short polar side
chains as efficient substituents to provide both solubility in, and crystal growth
ability from, water. New 8-amino-2-quinolinecarboxylic acids bearing charged or
neutral aminomethyl, carboxymethyl, sulfonic acid, or bis(hydroxymethyl)-methoxy
side chains in position 4 or 5, were prepared on a multi gram scale. Fmoc protection
of the main chain amine and suitable protections of the side chains ensured compatibility
with solid phase synthesis. One tetrameric and five octameric oligoamides displaying
these side chains were synthesized and shown to be soluble in water. In all cases
but one, crystals were obtained using the hanging drop method, thus validating
the initial design principle to combine polarity and rigidity. The only case that
resisted crystallization appeared to be due to exceedingly high water solubility
endowed by eight sulfonic acid functions. The neutral side chain did provide crystal
growth ability from water but contributed poorly to solubility.
article_processing_charge: No
article_type: original
author:
- first_name: Xiaobo
full_name: Hu, Xiaobo
last_name: Hu
- first_name: Simon J.
full_name: Dawson, Simon J.
last_name: Dawson
- first_name: Pradeep K
full_name: Mandal, Pradeep K
id: 6a3def15-d4b4-11ef-9fa9-a24c1f545ec3
last_name: Mandal
orcid: 0000-0001-5996-956X
- first_name: Xavier
full_name: de Hatten, Xavier
last_name: de Hatten
- first_name: Benoit
full_name: Baptiste, Benoit
last_name: Baptiste
- first_name: Ivan
full_name: Huc, Ivan
last_name: Huc
citation:
ama: 'Hu X, Dawson SJ, Mandal PK, de Hatten X, Baptiste B, Huc I. Optimizing side
chains for crystal growth from water: a case study of aromatic amide foldamers.
Chemical Science. 2017;8(5):3741-3749. doi:10.1039/c7sc00430c'
apa: 'Hu, X., Dawson, S. J., Mandal, P. K., de Hatten, X., Baptiste, B., & Huc,
I. (2017). Optimizing side chains for crystal growth from water: a case study
of aromatic amide foldamers. Chemical Science. Royal Society of Chemistry.
https://doi.org/10.1039/c7sc00430c'
chicago: 'Hu, Xiaobo, Simon J. Dawson, Pradeep K Mandal, Xavier de Hatten, Benoit
Baptiste, and Ivan Huc. “Optimizing Side Chains for Crystal Growth from Water:
A Case Study of Aromatic Amide Foldamers.” Chemical Science. Royal Society
of Chemistry, 2017. https://doi.org/10.1039/c7sc00430c.'
ieee: 'X. Hu, S. J. Dawson, P. K. Mandal, X. de Hatten, B. Baptiste, and I. Huc,
“Optimizing side chains for crystal growth from water: a case study of aromatic
amide foldamers,” Chemical Science, vol. 8, no. 5. Royal Society of Chemistry,
pp. 3741–3749, 2017.'
ista: 'Hu X, Dawson SJ, Mandal PK, de Hatten X, Baptiste B, Huc I. 2017. Optimizing
side chains for crystal growth from water: a case study of aromatic amide foldamers.
Chemical Science. 8(5), 3741–3749.'
mla: 'Hu, Xiaobo, et al. “Optimizing Side Chains for Crystal Growth from Water:
A Case Study of Aromatic Amide Foldamers.” Chemical Science, vol. 8, no.
5, Royal Society of Chemistry, 2017, pp. 3741–49, doi:10.1039/c7sc00430c.'
short: X. Hu, S.J. Dawson, P.K. Mandal, X. de Hatten, B. Baptiste, I. Huc, Chemical
Science 8 (2017) 3741–3749.
date_created: 2026-01-29T21:31:01Z
date_published: 2017-03-08T00:00:00Z
date_updated: 2026-02-23T09:53:30Z
day: '08'
doi: 10.1039/c7sc00430c
extern: '1'
has_accepted_license: '1'
intvolume: ' 8'
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/C7SC00430C
month: '03'
oa: 1
oa_version: Published Version
page: 3741-3749
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
status: public
title: 'Optimizing side chains for crystal growth from water: a case study of aromatic
amide foldamers'
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2017'
...
---
_id: '10374'
abstract:
- lang: eng
text: The formation of filaments from naturally occurring protein molecules is a
process at the core of a range of functional and aberrant biological phenomena,
such as the assembly of the cytoskeleton or the appearance of aggregates in Alzheimer's
disease. The macroscopic behaviour associated with such processes is remarkably
diverse, ranging from simple nucleated growth to highly cooperative processes
with a well-defined lagtime. Thus, conventionally, different molecular mechanisms
have been used to explain the self-assembly of different proteins. Here we show
that this range of behaviour can be quantitatively captured by a single unifying
Petri net that describes filamentous growth in terms of aggregate number and aggregate
mass concentrations. By considering general features associated with a particular
network connectivity, we are able to establish directly the rate-determining steps
of the overall aggregation reaction from the system's scaling behaviour. We illustrate
the power of this framework on a range of different experimental and simulated
aggregating systems. The approach is general and will be applicable to any future
extensions of the reaction network of filamentous self-assembly.
acknowledgement: The research leading to these results has received funding from the
European Research Council under the European Union's Seventh Framework Programme
(FP7/2007-2013) through the ERC grant PhysProt (agreement no. 337969) (SL, TPJK),
Sidney Sussex College Cambridge (GM), the Frances and Augusta Newman Foundation
(TPJK), the Biotechnology and Biological Science Research Council (TPJK), the Swedish
Research Council (SL), the Academy of Medical Sciences (AŠ), Wellcome Trust (AŠ),
and the Cambridge Centre for Misfolding Diseases (CMD, TPJK, MV).
article_processing_charge: No
article_type: original
author:
- first_name: Georg
full_name: Meisl, Georg
last_name: Meisl
- first_name: Luke
full_name: Rajah, Luke
last_name: Rajah
- first_name: Samuel A. I.
full_name: Cohen, Samuel A. I.
last_name: Cohen
- first_name: Manuela
full_name: Pfammatter, Manuela
last_name: Pfammatter
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Erik
full_name: Hellstrand, Erik
last_name: Hellstrand
- first_name: Alexander K.
full_name: Buell, Alexander K.
last_name: Buell
- first_name: Adriano
full_name: Aguzzi, Adriano
last_name: Aguzzi
- first_name: Sara
full_name: Linse, Sara
last_name: Linse
- first_name: Michele
full_name: Vendruscolo, Michele
last_name: Vendruscolo
- first_name: Christopher M.
full_name: Dobson, Christopher M.
last_name: Dobson
- first_name: Tuomas P. J.
full_name: Knowles, Tuomas P. J.
last_name: Knowles
citation:
ama: Meisl G, Rajah L, Cohen SAI, et al. Scaling behaviour and rate-determining
steps in filamentous self-assembly. Chemical Science. 2017;8(10):7087-7097.
doi:10.1039/c7sc01965c
apa: Meisl, G., Rajah, L., Cohen, S. A. I., Pfammatter, M., Šarić, A., Hellstrand,
E., … Knowles, T. P. J. (2017). Scaling behaviour and rate-determining steps in
filamentous self-assembly. Chemical Science. Royal Society of Chemistry.
https://doi.org/10.1039/c7sc01965c
chicago: Meisl, Georg, Luke Rajah, Samuel A. I. Cohen, Manuela Pfammatter, Anđela
Šarić, Erik Hellstrand, Alexander K. Buell, et al. “Scaling Behaviour and Rate-Determining
Steps in Filamentous Self-Assembly.” Chemical Science. Royal Society of
Chemistry, 2017. https://doi.org/10.1039/c7sc01965c.
ieee: G. Meisl et al., “Scaling behaviour and rate-determining steps in filamentous
self-assembly,” Chemical Science, vol. 8, no. 10. Royal Society of Chemistry,
pp. 7087–7097, 2017.
ista: Meisl G, Rajah L, Cohen SAI, Pfammatter M, Šarić A, Hellstrand E, Buell AK,
Aguzzi A, Linse S, Vendruscolo M, Dobson CM, Knowles TPJ. 2017. Scaling behaviour
and rate-determining steps in filamentous self-assembly. Chemical Science. 8(10),
7087–7097.
mla: Meisl, Georg, et al. “Scaling Behaviour and Rate-Determining Steps in Filamentous
Self-Assembly.” Chemical Science, vol. 8, no. 10, Royal Society of Chemistry,
2017, pp. 7087–97, doi:10.1039/c7sc01965c.
short: G. Meisl, L. Rajah, S.A.I. Cohen, M. Pfammatter, A. Šarić, E. Hellstrand,
A.K. Buell, A. Aguzzi, S. Linse, M. Vendruscolo, C.M. Dobson, T.P.J. Knowles,
Chemical Science 8 (2017) 7087–7097.
date_created: 2021-11-29T09:29:31Z
date_published: 2017-08-31T00:00:00Z
date_updated: 2021-11-29T10:00:00Z
day: '31'
ddc:
- '540'
doi: 10.1039/c7sc01965c
extern: '1'
external_id:
pmid:
- '29147538'
intvolume: ' 8'
issue: '10'
keyword:
- general chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://pubs.rsc.org/en/content/articlelanding/2017/SC/C7SC01965C
month: '08'
oa: 1
oa_version: Published Version
page: 7087-7097
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Scaling behaviour and rate-determining steps in filamentous self-assembly
tmp:
image: /images/cc_by_nc.png
legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode
name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)
short: CC BY-NC (3.0)
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 8
year: '2017'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17950'
abstract:
- lang: eng
text: Whilst most studies in single-molecule electronics involve components first
synthesized ex situ, there is also great potential in exploiting chemical transformations
to prepare devices in situ. Here, as a first step towards this goal, we conduct
reversible reactions on monolayers to make and break covalent bonds between alkanes
of different lengths, then measure the conductance of these molecules connected
between electrodes using the scanning tunneling microscopy-based break junction
(STM-BJ) method. In doing so, we develop the critical methodology required for
assembling and disassembling surface-bound single-molecule circuits. We identify
effective reaction conditions for surface-bound reagents, and importantly demonstrate
that the electronic characteristics of wires created in situ agree with those
created ex situ. Finally, we show that the STM-BJ technique is unique in its ability
to definitively probe surface reaction yields both on a local (∼50 nm2) and pseudo-global
(≥10 mm2) level. This investigation thus highlights a route to the construction
and integration of more complex, and ultimately functional, surface-based single-molecule
circuitry, as well as advancing a methodology that facilitates studies beyond
the reach of traditional ex situ synthetic approaches.
article_processing_charge: Yes
article_type: original
author:
- first_name: Michael S.
full_name: Inkpen, Michael S.
last_name: Inkpen
- first_name: Yann R.
full_name: Leroux, Yann R.
last_name: Leroux
- first_name: Philippe
full_name: Hapiot, Philippe
last_name: Hapiot
- first_name: Luis M.
full_name: Campos, Luis M.
last_name: Campos
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
citation:
ama: Inkpen MS, Leroux YR, Hapiot P, Campos LM, Venkataraman L. Reversible on-surface
wiring of resistive circuits. Chemical Science. 2017;8(6):4340-4346. doi:10.1039/c7sc00599g
apa: Inkpen, M. S., Leroux, Y. R., Hapiot, P., Campos, L. M., & Venkataraman,
L. (2017). Reversible on-surface wiring of resistive circuits. Chemical Science.
Royal Society of Chemistry. https://doi.org/10.1039/c7sc00599g
chicago: Inkpen, Michael S., Yann R. Leroux, Philippe Hapiot, Luis M. Campos, and
Latha Venkataraman. “Reversible On-Surface Wiring of Resistive Circuits.” Chemical
Science. Royal Society of Chemistry, 2017. https://doi.org/10.1039/c7sc00599g.
ieee: M. S. Inkpen, Y. R. Leroux, P. Hapiot, L. M. Campos, and L. Venkataraman,
“Reversible on-surface wiring of resistive circuits,” Chemical Science,
vol. 8, no. 6. Royal Society of Chemistry, pp. 4340–4346, 2017.
ista: Inkpen MS, Leroux YR, Hapiot P, Campos LM, Venkataraman L. 2017. Reversible
on-surface wiring of resistive circuits. Chemical Science. 8(6), 4340–4346.
mla: Inkpen, Michael S., et al. “Reversible On-Surface Wiring of Resistive Circuits.”
Chemical Science, vol. 8, no. 6, Royal Society of Chemistry, 2017, pp.
4340–46, doi:10.1039/c7sc00599g.
short: M.S. Inkpen, Y.R. Leroux, P. Hapiot, L.M. Campos, L. Venkataraman, Chemical
Science 8 (2017) 4340–4346.
date_created: 2024-09-09T09:17:08Z
date_published: 2017-04-07T00:00:00Z
date_updated: 2024-12-18T07:59:46Z
day: '07'
doi: 10.1039/c7sc00599g
extern: '1'
external_id:
pmid:
- '28660061'
intvolume: ' 8'
issue: '6'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/C7SC00599G
month: '04'
oa: 1
oa_version: Published Version
page: 4340-4346
pmid: 1
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Reversible on-surface wiring of resistive circuits
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2017'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '17951'
abstract:
- lang: eng
text: Thiophene-1,1-dioxide (TDO) oligomers have fascinating electronic properties.
We previously used thermopower measurements to show that a change in charge carrier
from hole to electron occurs with increasing length of TDO oligomers when single-molecule
junctions are formed between gold electrodes. In this article, we show for the
first time that the dominant conducting orbitals for thiophene/TDO oligomers of
fixed length can be tuned by altering the strength of the electron acceptors incorporated
into the backbone. We use the scanning tunneling microscope break-junction (STM-BJ)
technique and apply a recently developed method to determine the dominant transport
channel in single-molecule junctions formed with these systems. Through these
measurements, we find that increasing the electron affinity of thiophene derivatives,
within a family of pentamers, changes the polarity of the charge carriers systematically
from holes to electrons, with some systems even showing mid-gap transport characteristics.
article_processing_charge: Yes
article_type: original
author:
- first_name: Jonathan Z.
full_name: Low, Jonathan Z.
last_name: Low
- first_name: Brian
full_name: Capozzi, Brian
last_name: Capozzi
- first_name: Jing
full_name: Cui, Jing
last_name: Cui
- first_name: Sujun
full_name: Wei, Sujun
last_name: Wei
- first_name: Latha
full_name: Venkataraman, Latha
id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
last_name: Venkataraman
orcid: 0000-0002-6957-6089
- first_name: Luis M.
full_name: Campos, Luis M.
last_name: Campos
citation:
ama: Low JZ, Capozzi B, Cui J, Wei S, Venkataraman L, Campos LM. Tuning the polarity
of charge carriers using electron deficient thiophenes. Chemical Science.
2017;8(4):3254-3259. doi:10.1039/c6sc05283e
apa: Low, J. Z., Capozzi, B., Cui, J., Wei, S., Venkataraman, L., & Campos,
L. M. (2017). Tuning the polarity of charge carriers using electron deficient
thiophenes. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c6sc05283e
chicago: Low, Jonathan Z., Brian Capozzi, Jing Cui, Sujun Wei, Latha Venkataraman,
and Luis M. Campos. “Tuning the Polarity of Charge Carriers Using Electron Deficient
Thiophenes.” Chemical Science. Royal Society of Chemistry, 2017. https://doi.org/10.1039/c6sc05283e.
ieee: J. Z. Low, B. Capozzi, J. Cui, S. Wei, L. Venkataraman, and L. M. Campos,
“Tuning the polarity of charge carriers using electron deficient thiophenes,”
Chemical Science, vol. 8, no. 4. Royal Society of Chemistry, pp. 3254–3259,
2017.
ista: Low JZ, Capozzi B, Cui J, Wei S, Venkataraman L, Campos LM. 2017. Tuning the
polarity of charge carriers using electron deficient thiophenes. Chemical Science.
8(4), 3254–3259.
mla: Low, Jonathan Z., et al. “Tuning the Polarity of Charge Carriers Using Electron
Deficient Thiophenes.” Chemical Science, vol. 8, no. 4, Royal Society of
Chemistry, 2017, pp. 3254–59, doi:10.1039/c6sc05283e.
short: J.Z. Low, B. Capozzi, J. Cui, S. Wei, L. Venkataraman, L.M. Campos, Chemical
Science 8 (2017) 3254–3259.
date_created: 2024-09-09T09:18:00Z
date_published: 2017-02-28T00:00:00Z
date_updated: 2024-12-18T08:23:08Z
day: '28'
doi: 10.1039/c6sc05283e
extern: '1'
intvolume: ' 8'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1039/C6SC05283E
month: '02'
oa: 1
oa_version: Published Version
page: 3254-3259
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Tuning the polarity of charge carriers using electron deficient thiophenes
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2017'
...
---
_id: '7292'
abstract:
- lang: eng
text: 'Rechargeable Li–O2 batteries have amongst the highest formal energy and could
store significantly more energy than other rechargeable batteries in practice
if at least a large part of their promise could be realized. Realization, however,
still faces many challenges than can only be overcome by fundamental understanding
of the processes taking place. Here, we review recent advances in understanding
the chemistry of the Li–O2 cathode and provide a perspective on dominant research
needs. We put particular emphasis on issues that are often grossly misunderstood:
realistic performance metrics and their reporting as well as identifying reversibility
and quantitative measures to do so. Parasitic reactions are the prime obstacle
for reversible cell operation and have recently been identified to be predominantly
caused by singlet oxygen and not by reduced oxygen species as thought before.
We discuss the far reaching implications of this finding on electrolyte and cathode
stability, electrocatalysis, and future research needs.'
article_processing_charge: No
article_type: original
author:
- first_name: Nika
full_name: Mahne, Nika
last_name: Mahne
- first_name: Olivier
full_name: Fontaine, Olivier
last_name: Fontaine
- first_name: Musthafa Ottakam
full_name: Thotiyl, Musthafa Ottakam
last_name: Thotiyl
- first_name: Martin
full_name: Wilkening, Martin
last_name: Wilkening
- first_name: Stefan Alexander
full_name: Freunberger, Stefan Alexander
id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425
last_name: Freunberger
orcid: 0000-0003-2902-5319
citation:
ama: Mahne N, Fontaine O, Thotiyl MO, Wilkening M, Freunberger SA. Mechanism and
performance of lithium–oxygen batteries – a perspective. Chemical Science.
2017;8(10):6716-6729. doi:10.1039/c7sc02519j
apa: Mahne, N., Fontaine, O., Thotiyl, M. O., Wilkening, M., & Freunberger,
S. A. (2017). Mechanism and performance of lithium–oxygen batteries – a perspective.
Chemical Science. RSC. https://doi.org/10.1039/c7sc02519j
chicago: Mahne, Nika, Olivier Fontaine, Musthafa Ottakam Thotiyl, Martin Wilkening,
and Stefan Alexander Freunberger. “Mechanism and Performance of Lithium–Oxygen
Batteries – a Perspective.” Chemical Science. RSC, 2017. https://doi.org/10.1039/c7sc02519j.
ieee: N. Mahne, O. Fontaine, M. O. Thotiyl, M. Wilkening, and S. A. Freunberger,
“Mechanism and performance of lithium–oxygen batteries – a perspective,” Chemical
Science, vol. 8, no. 10. RSC, pp. 6716–6729, 2017.
ista: Mahne N, Fontaine O, Thotiyl MO, Wilkening M, Freunberger SA. 2017. Mechanism
and performance of lithium–oxygen batteries – a perspective. Chemical Science.
8(10), 6716–6729.
mla: Mahne, Nika, et al. “Mechanism and Performance of Lithium–Oxygen Batteries
– a Perspective.” Chemical Science, vol. 8, no. 10, RSC, 2017, pp. 6716–29,
doi:10.1039/c7sc02519j.
short: N. Mahne, O. Fontaine, M.O. Thotiyl, M. Wilkening, S.A. Freunberger, Chemical
Science 8 (2017) 6716–6729.
date_created: 2020-01-15T12:15:42Z
date_published: 2017-07-31T00:00:00Z
date_updated: 2021-01-12T08:12:49Z
day: '31'
ddc:
- '540'
doi: 10.1039/c7sc02519j
extern: '1'
file:
- access_level: open_access
checksum: 70c7c2ce5430b6e8605ccbf0275f1e80
content_type: application/pdf
creator: dernst
date_created: 2020-01-26T15:04:44Z
date_updated: 2020-07-14T12:47:55Z
file_id: '7363'
file_name: 2017_ChemicalScience_Mahne.pdf
file_size: 992106
relation: main_file
file_date_updated: 2020-07-14T12:47:55Z
has_accepted_license: '1'
intvolume: ' 8'
issue: '10'
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: 6716-6729
publication: Chemical Science
publication_identifier:
eissn:
- 2041-6539
issn:
- 2041-6520
publication_status: published
publisher: RSC
quality_controlled: '1'
status: public
title: Mechanism and performance of lithium–oxygen batteries – a perspective
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 8
year: '2017'
...