---
_id: '17042'
abstract:
- lang: eng
  text: 'Bacterial cell walls are gigadalton-large cross-linked polymers with a wide
    range of motional amplitudes, including rather rigid as well as highly flexible
    parts. Magic-angle spinning NMR is a powerful method to obtain atomic-level information
    about intact cell walls. Here we investigate sensitivity and information content
    of different homonuclear 13C-13C and heteronuclear H-N, H-C and N-C correlation
    experiments. We demonstrate that a CPMAS CryoProbe yields ca. 8-fold increased
    signal-to-noise over a room-temperature probe, or a ca. 3-4-fold larger per-mass
    sensitivity. The increased sensitivity allowed to obtain high-resolution spectra
    even on intact bacteria. Moreover, we compare resolution and sensitivity of 1H
    MAS experiments obtained at 100 kHz vs. 55 kHz. Our study provides useful hints
    for choosing experiments to extract atomic-level details on cell-wall samples. '
article_processing_charge: No
author:
- first_name: Paul
  full_name: Schanda, Paul
  id: 7B541462-FAF6-11E9-A490-E8DFE5697425
  last_name: Schanda
  orcid: 0000-0002-9350-7606
citation:
  ama: 'Schanda P. Raw data to “MAS NMR experiments of corynebacterial cell walls:
    complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments.” 2024.
    doi:<a href="https://doi.org/10.15479/AT:ISTA:17042">10.15479/AT:ISTA:17042</a>'
  apa: 'Schanda, P. (2024). Raw data to “MAS NMR experiments of corynebacterial cell
    walls: complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments.”
    Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/AT:ISTA:17042">https://doi.org/10.15479/AT:ISTA:17042</a>'
  chicago: 'Schanda, Paul. “Raw Data to ‘MAS NMR Experiments of Corynebacterial Cell
    Walls: Complementary 1H- and CPMAS CryoProbe-Enhanced 13C-Detected Experiments.’”
    Institute of Science and Technology Austria, 2024. <a href="https://doi.org/10.15479/AT:ISTA:17042">https://doi.org/10.15479/AT:ISTA:17042</a>.'
  ieee: 'P. Schanda, “Raw data to ‘MAS NMR experiments of corynebacterial cell walls:
    complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments.’” Institute
    of Science and Technology Austria, 2024.'
  ista: 'Schanda P. 2024. Raw data to ‘MAS NMR experiments of corynebacterial cell
    walls: complementary 1H- and CPMAS CryoProbe-enhanced 13C-detected experiments’,
    Institute of Science and Technology Austria, <a href="https://doi.org/10.15479/AT:ISTA:17042">10.15479/AT:ISTA:17042</a>.'
  mla: 'Schanda, Paul. <i>Raw Data to “MAS NMR Experiments of Corynebacterial Cell
    Walls: Complementary 1H- and CPMAS CryoProbe-Enhanced 13C-Detected Experiments.”</i>
    Institute of Science and Technology Austria, 2024, doi:<a href="https://doi.org/10.15479/AT:ISTA:17042">10.15479/AT:ISTA:17042</a>.'
  short: P. Schanda, (2024).
contributor:
- contributor_type: data_collector
  first_name: Alicia
  last_name: Vallet
- contributor_type: data_collector
  first_name: 'Isabel '
  last_name: Ayala
- contributor_type: data_collector
  first_name: Barbara
  last_name: Perrone
- contributor_type: data_collector
  first_name: Alia
  last_name: Hassan
- contributor_type: data_collector
  first_name: Catherine
  last_name: Bougault
corr_author: '1'
date_created: 2024-05-22T12:04:54Z
date_published: 2024-05-22T00:00:00Z
date_updated: 2025-09-09T12:01:41Z
day: '22'
ddc:
- '570'
department:
- _id: PaSc
doi: 10.15479/AT:ISTA:17042
file:
- access_level: open_access
  checksum: eb55f0988342d927702353b75e07edfa
  content_type: text/plain
  creator: pschanda
  date_created: 2024-05-22T12:05:13Z
  date_updated: 2024-05-22T12:05:13Z
  file_id: '17043'
  file_name: Read_me.txt
  file_size: 2132
  relation: main_file
  success: 1
- access_level: open_access
  checksum: 3393592acaf5ee1e032052c236780914
  content_type: application/zip
  creator: pschanda
  date_created: 2024-05-22T12:17:10Z
  date_updated: 2024-05-22T12:17:10Z
  file_id: '17044'
  file_name: raw_data_CryoMAS_cyronebacteria.zip
  file_size: 755704888
  relation: main_file
  success: 1
file_date_updated: 2024-05-22T12:17:10Z
has_accepted_license: '1'
keyword:
- nuclear magnetic resonance
- NMR
- cellwall
- structural biology
- spectroscopy
month: '05'
oa: 1
oa_version: Published Version
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '17291'
    relation: used_in_publication
    status: public
status: public
title: 'Raw data to "MAS NMR experiments of corynebacterial cell walls: complementary
  1H- and CPMAS CryoProbe-enhanced 13C-detected experiments"'
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: research_data
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2024'
...
---
OA_type: closed access
_id: '363'
abstract:
- lang: eng
  text: Lead halide perovskite materials have attracted significant attention in the
    context of photovoltaics and other optoelectronic applications, and recently,
    research efforts have been directed to nanostructured lead halide perovskites.
    Collodial nanocrystals (NCs) of cesium lead halides (CsPbX3, X = Cl, Br, I) exhibit
    bright photoluminescence, with emission tunable over the entire visible spectral
    region. However, previous studies on CsPbX3 NCs did not address key aspects of
    their chemistry and photophysics such as surface chemistry and quantitative light
    absorption. Here, we elaborate on the synthesis of CsPbBr3 NCs and their surface
    chemistry. In addition, the intrinsic absorption coefficient was determined experimentally
    by combining elemental analysis with accurate optical absorption measurements.
    1H solution nuclear magnetic resonance spectroscopy was used to characterize sample
    purity, elucidate the surface chemistry, and evaluate the influence of purification
    methods on the surface composition. We find that ligand binding to the NC surface
    is highly dynamic, and therefore, ligands are easily lost during the isolation
    and purification procedures. However, when a small amount of both oleic acid and
    oleylamine is added, the NCs can be purified, maintaining optical, colloidal,
    and material integrity. In addition, we find that a high amine content in the
    ligand shell increases the quantum yield due to the improved binding of the carboxylic
    acid.
article_processing_charge: No
article_type: original
author:
- first_name: Jonathan
  full_name: De Roo, Jonathan
  last_name: De Roo
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Pieter
  full_name: Geiregat, Pieter
  last_name: Geiregat
- first_name: Georgian
  full_name: Nedelcu, Georgian
  last_name: Nedelcu
- first_name: Willem
  full_name: Walravens, Willem
  last_name: Walravens
- first_name: Jorick
  full_name: Maes, Jorick
  last_name: Maes
- first_name: Jose
  full_name: Martins, Jose
  last_name: Martins
- first_name: Isabel
  full_name: Van Driessche, Isabel
  last_name: Van Driessche
- first_name: Maksym
  full_name: Kovalenko, Maksym
  last_name: Kovalenko
- first_name: Zeger
  full_name: Hens, Zeger
  last_name: Hens
citation:
  ama: De Roo J, Ibáñez M, Geiregat P, et al. Highly dynamic ligand binding and light
    absorption coefficient of cesium lead bromide perovskite nanocrystals. <i>Nano</i>.
    2016;10(2):2071-2081. doi:<a href="https://doi.org/10.1021/acsnano.5b06295">10.1021/acsnano.5b06295</a>
  apa: De Roo, J., Ibáñez, M., Geiregat, P., Nedelcu, G., Walravens, W., Maes, J.,
    … Hens, Z. (2016). Highly dynamic ligand binding and light absorption coefficient
    of cesium lead bromide perovskite nanocrystals. <i>Nano</i>. American Chemical
    Society. <a href="https://doi.org/10.1021/acsnano.5b06295">https://doi.org/10.1021/acsnano.5b06295</a>
  chicago: De Roo, Jonathan, Maria Ibáñez, Pieter Geiregat, Georgian Nedelcu, Willem
    Walravens, Jorick Maes, Jose Martins, Isabel Van Driessche, Maksym Kovalenko,
    and Zeger Hens. “Highly Dynamic Ligand Binding and Light Absorption Coefficient
    of Cesium Lead Bromide Perovskite Nanocrystals.” <i>Nano</i>. American Chemical
    Society, 2016. <a href="https://doi.org/10.1021/acsnano.5b06295">https://doi.org/10.1021/acsnano.5b06295</a>.
  ieee: J. De Roo <i>et al.</i>, “Highly dynamic ligand binding and light absorption
    coefficient of cesium lead bromide perovskite nanocrystals,” <i>Nano</i>, vol.
    10, no. 2. American Chemical Society, pp. 2071–2081, 2016.
  ista: De Roo J, Ibáñez M, Geiregat P, Nedelcu G, Walravens W, Maes J, Martins J,
    Van Driessche I, Kovalenko M, Hens Z. 2016. Highly dynamic ligand binding and
    light absorption coefficient of cesium lead bromide perovskite nanocrystals. Nano.
    10(2), 2071–2081.
  mla: De Roo, Jonathan, et al. “Highly Dynamic Ligand Binding and Light Absorption
    Coefficient of Cesium Lead Bromide Perovskite Nanocrystals.” <i>Nano</i>, vol.
    10, no. 2, American Chemical Society, 2016, pp. 2071–81, doi:<a href="https://doi.org/10.1021/acsnano.5b06295">10.1021/acsnano.5b06295</a>.
  short: J. De Roo, M. Ibáñez, P. Geiregat, G. Nedelcu, W. Walravens, J. Maes, J.
    Martins, I. Van Driessche, M. Kovalenko, Z. Hens, Nano 10 (2016) 2071–2081.
date_created: 2018-12-11T11:46:02Z
date_published: 2016-02-23T00:00:00Z
date_updated: 2026-05-13T14:05:15Z
day: '23'
doi: 10.1021/acsnano.5b06295
extern: '1'
external_id:
  pmid:
  - '26786064'
intvolume: '        10'
issue: '2'
keyword:
- NMR
- CsPbBr3
- absorption coefficient
- surface chemistry
language:
- iso: eng
month: '02'
oa_version: None
page: 2071 - 2081
pmid: 1
publication: Nano
publication_identifier:
  eissn:
  - 1936-086X
  issn:
  - 1936-0851
publication_status: published
publisher: American Chemical Society
publist_id: '7464'
quality_controlled: '1'
scopus_import: '1'
status: public
title: Highly dynamic ligand binding and light absorption coefficient of cesium lead
  bromide perovskite nanocrystals
type: journal_article
user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd
volume: 10
year: '2016'
...