Adsorption Free Energy of Single Amino Acids at the Rutile (110)/Water Interface Studied by Well-Tempered Metadynamics
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A numerical model for the adsorption kinetics of proteins on the walls of a microchannel has been developed using the finite element method (FEM) to address the coupling with diffusion phenomena in the restricted microchannel volume. Time evolutions of the ...
The adsorption of ions at the interface between two immiscible electrolyte solutions (ITIES) is primarily controlled by the potential distribution across the interface, which in turn is influenced by the adsorption process. In the present paper, we simulat ...
Organic light emitting devices (OLED) are among the most promising future technologies for the manufacture of flat and inexpensive displays. Although OLEDs provide already much higher brightness as compared to liquid crystals devices (LCD), they have a maj ...
alpha -Isocyano-beta -phenylpropionamide is synthesized from the corresponding amino acid in excellent yield. The unique reactivity of this bifunctional compd. is exploited for the development of novel multicomponent synthesis of 5-aminooxazole, pyrrolo[3, ...
The fusion bonding of neat polypropylene (PP) has been investigated under non-isothermal conditions with different initial adherend temperatures, and the results compared with results from bonds prepared under isothermal conditions with identical adherend ...
Despite progress during the last decade, the behavior of charged macromolecules, polyelectrolytes, including their interactions is not yet completely understood. In particular, interactions with oppositely charged surfaces, which play a significant role in ...
Two representatives of a new type of beta-amino acids, carrying two functionalized side chains, one in the 2- and one in the 3-position, have been prepd. stereoselectively: a beta-Ser deriv. with an addnl. CH2OH group in the 2-position, for beta-peptides w ...
A sensor for measuring adsorption on a substrate has been designed including a contactless detection scheme, called supercapacitive admittance tomoscopy (SCAT). The sensor comprises a thin dielectric layer with two parallel band electrodes on the one side ...
We report on long-range interactions between adsorbates on metal surfaces with a surface state. A comparison of three adsorbate/substrate systems [Cu/Cu(111), Co/Cu(111), and Co/Ag(111)] suggests the general existence of such interactions and shows up comm ...
A crit. evaluation of published paraffin hydroconversion data shows that MEL-type zeolites preferentially hydrocrack paraffins where two Me groups are sepd. by a methylene group, whereas MFI-type zeolites prefer paraffins with geminal Me groups (preferably ...