Journal Article

PUBDB-2023-00105

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Rotational Dive into the Water Clusters on a Simple Sugar Substrate

Steber, A. L. ; Temelso, B. ; Kisiel, Z. ; Schnell, M. (Corresponding author)DESY* ; Perez Cuadrado, C. (Corresponding author)Extern*DESY*

2023
National Acad. of Sciences Washington, DC

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Please use a persistent id in citations: doi:10.1073/pnas.2214970120  doi:10.3204/PUBDB-2023-00105

Abstract: Most biomolecular activity takes place in aqueous environments, and it is stronglyinfluenced by the surrounding water molecules. The hydrogen bond networks that thesewater molecules form are likewise influenced by their interactions with the solutes, andthus, it is crucial to understand this reciprocal process. Glycoaldehyde (Gly), oftenconsidered the smallest sugar, represents a good template to explore the first steps ofsolvation and determine how the organic molecule shapes the structure and hydrogenbond network of the solvating water cluster. Here we report a broadband rotationalspectroscopy study on the stepwise hydration of Gly with up to six water molecules.We reveal the preferred hydrogen bond networks formed when water molecules start toform three-dimensional topologies around an organic molecule. We observe that waterself-aggregation prevails even in these early stages of microsolvation. These hydrogenbond networks manifests themselves through the insertion of the small sugar monomerin the pure water cluster in a way in which the oxygen atom framework and hydrogenbond network resemble those of smallest three-dimensional pure water clusters. Ofparticular interest is the identification, in both the penta- and hexa-hydrate, of thepreviously observed prismatic pure water heptamer motif. Our results show that somespecific hydrogen bond networks are preferred and survive the solvation of a smallorganic molecule, mimicking those of pure water clusters. A many-body decompositionanalysis of the interaction energy is also performed to rationalize the strength of aparticular hydrogen bond, and it successfully confirms the experimental findings.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2023

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Database coverage:
; ; ; BIOSIS Previews ; Biological Abstracts ; Clarivate Analytics Master Journal List ; Current Contents - Agriculture, Biology and Environmental Sciences ; Current Contents - Life Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF >= 10 ; JCR ; National-Konsortium ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection ; Zoological Record

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