Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling
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We develop a path-integral dynamics method for water that resembles centroid molecular dynamics (CMD), except that the centroids are averages of curvilinear, rather than Cartesian, bead coordinates. The curvilinear coordinates are used explicitly only when ...
The intrinsic structures of biomolecules in the gas phase may not reflect their native solution geometries. Microsolvation of the molecules bridges the two environments, enabling a tracking of molecular structural changes upon hydration at the atomistic le ...
American Chemical Society2017
The Phase-1 upgrade of the LHC to full design luminosity, planned for 2019 at CERN, requires the modernisation of the experiments around the accelerator. The Inner Tracking System (ITS), the innermost detector at the ALICE experiment, will be upgraded by r ...
EPFL2016
Tetraphenylethylene is a prototypical example of a molecule displaying aggregation-induced emission. Despite many studies on the optical properties of TPE and its derivatives, the origin of the non-emissive behavior in the gas phase or in dilute solutions ...
We use cold ion spectroscopy and quantum-chemical computations to solve the structures of opioid peptides enkephalins in the gas phase. The derived structural parameters clearly correlate with the known pharmacological efficiency of the studied drugs, sugg ...
Two-phase, refrigerant-based cooling offers significant promise for increasing heat densities and energy efficiencies of electronic components. One barrier to wide spread adoption of two-phase cooling solutions is preserving product features deemed essenti ...
The pivotal theory of molecular biology states that the structure of biomolecules is directly related to their function in living systems. In this way, the structural investigation of biological molecules allows understanding and intervening in the fundame ...
In this Article, we examine the hydration structure of dibenzo-18-crown-6 (DB18C6) complexes with K+, Rb+, and Cs+ ion in the gas phase. We measure well-resolved UV photodissociation (UVPD) spectra of K+·DB18C6·(H2O)n, Rb+·DB18C6·(H2O)n, and Cs+·DB18C6·(H2 ...
The rigidity temperature of a solidifying alloy is the temperature at which the solid phase is sufficiently coalesced to transmit tensile stress. It is a major input parameter in numerical modeling of solidification processes as it defines the point at whi ...
The rigidity temperature of a solidifying alloy is the temperature at which the solid plus liquid phases are sufficiently coalesced to transmit long range tensile strains and stresses. It determines the point at which thermally induced deformations start t ...