Evidence map›Paper›PMID 30782822›Full record

ArticleProceedings of the National Academy of Sciences of the United States of America2019

Compatibility of quantitative X-ray spectroscopy with continuous distribution models of water at ambient conditions.

Johannes Niskanen, Mattis Fondell, Christoph J Sahle, Sebastian Eckert, Raphael M Jay, Keith Gilmore, Annette Pietzsch, Marcus Dantz, Xingye Lu, Daniel E McNally and 5 more

Abstract read
In one paragraph

Article in Proceedings of the National Academy of Sciences of the United States of America, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.

0numbers the graph read from it
0cells of the map it votes in
12citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

12 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Cuts through the manifold of molecular HProceedings of the National Academy of Sciences of the United States of America · 2022
    Article
  6. Article
  7. Advances in the OCEAN-3 spectroscopy package.Physical chemistry chemical physics : PCCP · 2022
    Review
  8. Article
  9. Article
  10. Reply to Pettersson et al.: Why X-ray spectral features are compatible to continuous distribution models in ambient water.Proceedings of the National Academy of Sciences of the United States of America · 2019
    Article
  11. Do X-ray spectroscopies provide evidence for continuous distribution models of water at ambient conditions?Proceedings of the National Academy of Sciences of the United States of America · 2019
    Article
  12. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

15 authors.

Johannes NiskanenInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz Zentrum Berlin für Materialien und Energie, D-12489 Berlin, Germany.
Mattis FondellInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz Zentrum Berlin für Materialien und Energie, D-12489 Berlin, Germany.
Christoph J SahleEuropean Synchrotron Radiation Facility 71, F-38043 Grenoble Cedex 9, France.ORCID 0000-0001-8645-3163
Sebastian EckertInstitut für Physik und Astronomie, Universität Potsdam, D-14476 Potsdam-Golm, Germany.
Raphael M JayInstitut für Physik und Astronomie, Universität Potsdam, D-14476 Potsdam-Golm, Germany.
Keith GilmoreEuropean Synchrotron Radiation Facility 71, F-38043 Grenoble Cedex 9, France.
Annette PietzschInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz Zentrum Berlin für Materialien und Energie, D-12489 Berlin, Germany.
Marcus DantzSwiss Light Source, Photon Science Division, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland.
Xingye LuSwiss Light Source, Photon Science Division, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland.
Daniel E McNallySwiss Light Source, Photon Science Division, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland.
Thorsten SchmittSwiss Light Source, Photon Science Division, Paul Scherrer Institut, 5232 Villigen PSI, Switzerland.
Vinicius Vaz da CruzTheoretical Chemistry and Biology, Royal Institute of Technology, SE-10691 Stockholm, Sweden.
Victor KimbergTheoretical Chemistry and Biology, Royal Institute of Technology, SE-10691 Stockholm, Sweden.
Faris Gel'mukhanovTheoretical Chemistry and Biology, Royal Institute of Technology, SE-10691 Stockholm, Sweden.ORCID 0000-0002-8272-7670
Alexander FöhlischInstitute for Methods and Instrumentation for Synchrotron Radiation Research, Helmholtz Zentrum Berlin für Materialien und Energie, D-12489 Berlin, Germany; alexander.foehlisch@helmholtz-berlin.de.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The phase diagram of water harbors controversial views on underlying structural properties of its constituting molecular moieties, its fluctuating hydrogen-bonding network, as well as pair-correlation functions. In this work, long energy-range detection of the X-ray absorption allows us to unambiguously calibrate the spectra for water gas, liquid, and ice by the experimental atomic ionization cross-section. In liquid water, we extract the mean value of 1.74 ± 2.1% donated and accepted hydrogen bonds per molecule, pointing to a continuous-distribution model. In addition, resonant inelastic X-ray scattering with unprecedented energy resolution also supports continuous distribution of molecular neighborhoods within liquid water, as do X-ray emission spectra once the femtosecond scattering duration and proton dynamics in resonant X-ray-matter interaction are taken into account. Thus, X-ray spectra of liquid water in ambient conditions can be understood without a two-structure model, whereas the occurrence of nanoscale-length correlations within the continuous distribution remains open.

Indexed as

continuous distribution modelstructure of waterX-ray spectroscopy

Identifiers

PMID30782822
PMCPMC6410789

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.