DFT calculationsA binary system composed of carbon dots (CDs) and N-doped CDs (N-CDs) embedded in an organic matrix was used for the analysis of cholesterol by MALDI (matrix-assisted laser desorption and ionization time-of-flight) mass spectrometry, as a model for detection of small, ...
Beijing Pony Medical Laboratory Co., Ltd., Beijing 100095, China Abstract: Objective To screen the potential quality markers (Q-Marker) of anti-coronavirus of Huoxiang Zhengqi Shui (藿香正气 水, HZS) based on the ultra-performance liquid chromatography-quadrupole-time of flight-mass spectrometry ...
The platform enables mass spectrometry (MS)-based HTS for small-molecule target interactions from single-compound incubation mixtures and is embedded into a regular assay automation environment. Efficient separation of target–ligand complexes is achieved by in-plate size exclusion chromatography (SEC), ...
Time-of-flight secondary-ion mass spectrometry (ToF-SIMS) has been employed for the first time to investigate uranium hydride. The deuterated form of uranium hydride (UD3) was formed on a polycrystalline uranium sample by exposure to high-purity D2 gas at room temperature. The characteristic pos...
Three-dimensional (3D) time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging is a promising tool in the analysis of surface modifications of alloy matrix and intermetallic particles induced by localized corrosion due to its good spatial resol
Photoelectron photoion coincidence measurements have been performed for the thiazole (C3H3NS) molecule in gas phase, using time-of-flight mass spectrometry in the electron-ion coincidence mode and vacuum ultraviolet synchrotron radiation. photoelectron photoion coincidence spectra have been recorded as a...
(matrix-assisted laser desorption/ionization time-of-flight mass spectrometry) identification based on spectra and molecular methods have been described and used for streptococcal species identification7,8. However these methods have also been shown to have problems with false identification results9,10,...
In this paper, the mechanism of interaction between hydrogen sulfide ions and malachite was investigated using density functional theory (DFT) calculations and time of flight secondary ion mass spectrometry (TOF-SIMS). The DFT calculatio... Y Mao,D Wu,LY Huang - 《Physicochemical Problems of Min...
The mass spectra recorded by ToF-SIMS also show the presence of molecules adsorbed on the surface. In the early sputtering stage, the physisorbed molecules located at the extreme surface may have been Conclusions The combination of XPS and ToF-SIMS analyses, and the complementary DFT calculations,...
Among the most powerful of these is the combination of separation techniques such as liquid chromatography (LC) with mass spectrometry (MS). The advent of electrospray ionization (ESI) [3] allows LC to be coupled with MS in an online fashion. The LC separation simplifies the complex mixture ...