Ionic clathrates from aqueous solutions detected with laser induced liquid beam ionization/desorption mass spectrometry

Sobott, Frank; Wattenberg, Andreas; Barth, Hans-Dieter; Brutschy, Bernhard

doi:10.1016/s1387-3806(98)14158-1

Cited by 55 publications

(43 citation statements)

References 31 publications

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“…In particular, it cannot explain the common observation (see for example ref. [7]) that n 20 is a magic number for M K, Rb, Cs but not for M Na. Actually, this does not seem to be an artifact of limited-size microsolvation clusters: Bulk solvation simulations also have shown characteristic differences between Na and K (ref.…”

Section: Introductionmentioning

confidence: 97%

“…Indeed, they are accessible both experimentally (see the reviews [3 ± 6] and refs. [7,8]) as well as theoretically (at moderate ab initio levels [9,10] and with empirical potentials; [11±13] see also further literature cited in these articles).…”

Section: Introductionmentioning

confidence: 99%

“…[19] and references therein). Therefore, this explanation had a natural appeal and accordingly served as a hypothesis in many contexts, from ab initio calculations [20] and rationalization of microsolvation experiments [7,21,22] up to attempts to understand solvation of hydrophobic groups in the gas phase [8] and in the liquid. [23,24] In spite (or because) of this natural appeal, this explanation retained its hypothetical status.…”

Section: Introductionmentioning

confidence: 99%

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Dodecahedral Clathrate Structures and Magic Numbers in Alkali Cation Microhydration Clusters

Schulz

Hartke

2002

ChemPhysChem

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Section: Introductionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Dodecahedral Clathrate Structures and Magic Numbers in Alkali Cation Microhydration Clusters

Schulz

Hartke

2002

ChemPhysChem

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“…Ionic clathrates have been observed by mass spectrometry from aqueous solution using laser-induced liquidbeam ionisation}desorption (LILBID) techniques (Sobott et al 1999) around K + , Cs + and ammonium ions. The largest peak was observed at (H 2 O) 20 as has been demonstrated above.…”

Section: Structured Water In the Gaseous Statementioning

confidence: 99%

Water structure theory and some implications for drug design

Plumridge

Waigh

2002

Journal of Pharmacy and Pharmacology

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The development of theories of water structure has been hindered in the past by the dif culty of experimental measurement. Both measurement and computer modelling studies have now reached the stage where theoretical treatments of water structure are converging to a broadly acceptable model. In current understanding, water is a mixture of randomly hydrogen-bonded molecules and larger structures comprised of tetrahedral oxygen centres which, when hydrogen-bonded to each other, lead to ve-membered and other rings which can aggregate to form three-dimensional structures. Evidence is taken from studies of the ices, from clathrates and other solid solutions, as well as from liquid solutions, that certain motifs occur very frequently and have relatively high stability, such as the (H 2 O) 20 cavity-forming structure known from studies on clathrates. The implications of recent models of water structure for an understanding of biological events, including the interactions of drugs with receptors, are profound. It is becoming clear that modelling of aqueous solutions of any molecule must consider the explicit interactions with water molecules, which should not be regarded as a continuum : water itself is not a continuum. Solute molecules which possess hydrogen-bonding groups will provoke the formation of further hydrogen-bonding chains of water molecules : if these can form rings, such rings will tend to persist longer than chains, giving the solute a secondary identity of associated water which may play a role in molecular recognition. Solutes that do not have hydrogen-bonding capability, or regions of solutes which are non-polar, may also produce partial cage-like water structures that are characteristic of the solute.The classi cation of many solutes as structure makers or structure breakers has relevance to the interactions between ligands and large biomolecules such as proteins. While it is generally accepted that sulfate and urea, respectively structure maker and breaker, may alter protein conformation through effects on water, it has not been recognised that bioactive ligands, which also change the conformation of proteins, may do so by a related, but more selective, mechanism. Very early studies of cell contents suggested that the associated water might be different from bulk water, a concept that lost support in the mid-20th century. Current theories of water structure may invite a reappraisal of this position, given the observation that structuring may extend for many molecular diameters from an ordered surface.

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“…For example, thirteen polymorphs of ice have been classified based on the variation of size of their water cluster and hydrogen bond patterns. While in the liquid phase, in addition to the hexameric ring, dodecahedral (Graziano, G., 1998;Sobott, F. et al, 1999) as well as icosahedral structures (Chaplin, M. F., 2000) also have been…”

Section: Forty One Unusual Properties Of Water (A)mentioning

confidence: 99%

Probing the properties of the second coordination sphere of biologically relevant metal complexes using amide function.

Cheruzel¹,

Lionel²

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Ionic clathrates from aqueous solutions detected with laser induced liquid beam ionization/desorption mass spectrometry

Cited by 55 publications

References 31 publications

Dodecahedral Clathrate Structures and Magic Numbers in Alkali Cation Microhydration Clusters

Dodecahedral Clathrate Structures and Magic Numbers in Alkali Cation Microhydration Clusters

Water structure theory and some implications for drug design

Probing the properties of the second coordination sphere of biologically relevant metal complexes using amide function.

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