Improved measurement of the hydrogen 1S-2S transition frequency

We have measured the 1S-2S transition frequency in atomic hydrogen via two-photon spectroscopy on a 5.8 K atomic beam. We obtain f(1S-2S) = 2,466,061,413,187,035 (10) Hz for the hyperfine centroid, in agreement with, but 3.3 times better than the previous result [M. Fischer et al., Phys. Rev. Lett. 92, 230802 (2004)]. The improvement to a fractional frequency uncertainty of 4.2 × 10(-15) arises mainly from an improved stability of the spectroscopy laser, and a better determination of the main systematic uncertainties, namely, the second order Doppler and ac and dc Stark shifts. The probe laser frequency was phase coherently linked to the mobile cesium fountain clock FOM via a frequency comb.     

Charge Transfer from Lead Sulfide Quantum Dots to MoS2 Nanoplatelets

Optics and Spectroscopy - The research interest in the transition metal dichalcogenides (TMD) has been reborn a few years ago. This had happened due to the remarkable properties of monolayered TMD...     

A novel three-component reaction of anilines,formaldehyde and dimedone: simple synthesis of spirosubstituted piperidines

A three-component condensation of anilines with dimedone and formaldehyde leads to the formation of 3,5-dispirosubstituted piperidines. This simple reaction can serve as a convenient source of 3,5-disubstituted piperidines as well as polyfunctional 3-spirofused piperidines.     

DFT study of electronic structure and geometry of anionic silver clusters (n = 11, 12, 17)

Based on both total energy calculations and comparison of experimental and calculated characteristics of photoelectron spectra (PHES), the structural assignment of clusters and has been made using DFT model with recently developed S2LYP functional. The calculated characteristics of PHES for the assigned structures are in excellent agreement with the experimental ones. The electronic structure, geometry and energetic characteristics of low-lying isomers have also been studied. The calculated geometrical parameters of and clusters as well as the geometries of earlier established clusters have been compared with the geometrical characteristics of anionic sodium clusters. The structures of anionic silver and sodium clusters have been found to be very similar. The difference has been observed only for . Based on similarity of the geometries of silver and sodium clusters as well as on the comparison of calculated and experimental characteristics of PHES, the geometry of cluster has been assigned.     

Ultra-sensitive analysis based on electrochemistry,electrokinetic and magnetic preconcentration of analytes

Some of the challenges with detection of ultra-low concentrations of analytes are to achieve sufficient sensitivity of the measurement and to direct the analyte species to the sensor (electrode) surface. This review describes various strategies that are available to address these challenges: method of electrocatalytic amplification, electrochemical measurements performed in combination with electrokinetic preconcentration of analytes, ultra-sensitive analysis utilizing increased surface area and also the manipulation by the magnetic force.     

Optical Properties of Core–Shell Fe3O4/CdSe/ZnS Nanocomposites

Optics and Spectroscopy - The luminescent and magnetooptical properties of nanocomposites consisting of a superparamagnetic Fe3O4 core coated with a luminescent CdSe semiconductor layer, which, in...     

The correlations of the enthalpy of vaporization and the surface tension of molecular liquids

Correlation relations based on Stefan's rule, which defined dependence between the enthalpy of vaporization, the surface tension, the molar volume and the molar mass of a substance, were obtained. For development of the correlation equations two computational procedures were used: a method of the least squares and a method of artificial neural networks. The method of artificial neural networks was shown to give somewhat better results than the linear least-squares procedure. The average deviation of the calculated values from the experimental ones did not exceed 6% for training set of substances and 10% for control set (the method of the least squares). For the method of artificial neural networks it is 3% and 8%, respectively.     

The Influence of the Schottky Barrier at the Metal/PbS NCs Junction on the Charge Transport Properties

Optics and Spectroscopy - The effect of the Schottky barrier height changes on the metal/EDT-treated (1,2-ethanedithiol) PbS nanocrystals film interface is considered. Also, the influence of shunts...     

Nanodiscs for INPHARMA NMR Characterization of GPCRs: Ligand Binding to the Human A2A Adenosine Receptor

G-protein-coupled-receptors (GPCRs) are of fundamental importance for signal transduction through cell membranes. This makes them important drug targets, but structure-based drug design (SBDD) is still hampered by the limitations for structure determination of unmodified GPCRs. We show that the interligand NOEs for pharmacophore mapping (INPHARMA) method can provide valuable information on ligand poses inside the binding site of the unmodified human A_2A adenosine receptor reconstituted in nanodiscs. By comparing experimental INPHARMA spectra with back-calculated spectra based on ligand poses obtained from molecular dynamics simulations, a complex structure for A_2AR with the low-affinity ligand 3-pyrrolidin-1-ylquinoxalin-2-amine was determined based on the X-ray structure of ligand ZM-241,358 in complex with a modified A_2AR.