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21st European Symposium on Quantitative Structure-Activity Relationship
Big Data Analysis Precision Medicine
2016/7/26
The EuroQSAR Symposia have been taking place since 1973 and constitute major scientific events in the field of computational drug design, with further applications in agricultural and environmental sc...
Synthesis, spectroscopic characterization, mass spectrometry, and crystal structure of N-{[(4-bromophenyl)amino]carbonothioyl}benzamide
Thiourea derivative X-ray structure determination mass fragmentation
2010/12/3
N-{[(4-bromophenyl)amino]carbonothioyl}benzamide was synthesized and characterized by IR, 1H- and 13C-NMR, mass spectrometry, and elemental analysis. The crystal structure was determined from single c...
Structure of Ultra-Thin Diamond-Like Carbon Films Grown with Filtered Cathodic Arc on Si(001)
Structure of Ultra-Thin Diamond-Like Carbon Films Filtered Cathodic Arc on Si(001)
2010/9/17
The structure of 3 nm and 15 nm diamond-like carbon films, grown on Si(001) by filtered cathodic arc, was studied by angle-resolved X-ray photoelectron spectroscopy (ARXPS) and transmission electron m...
Structural Analysis of High-Silica Ferrierite with Different Structure-Directing Agents by Solid-State NMR and Ab Initio Calculations
Structural Analysis High-Silica Ferrierite Structure-Directing Agents Solid-State NMR Calculations
2010/9/19
The host-guest interaction in high-silica ferrierite (FER) with different structure-directing agents (SDA), pyridine and piperidine, was analyzed by solid-state 29Si NMR relaxation experiments and mol...
A Multidisciplinary Investigation to Determine the Structure and Source of Dimeric Impurities in AMG 517 Drug Substance
International Conference on Harmonization mass spectrometry multiple-quantum correlation
2009/9/4
In the initial scale-up batches of the experimental drug substance AMG 517, a pair of unexpected impurities was observed by HPLC. Analysis of data from initial LC-MS experiments indicated the presence...
Crystal Structure of Dichlorodiaquabis-(p- dimethylaminobenzaldehyde)manganese(II)
Crystal Structure Dichlorodiaquabis-(p- dimethylaminobenzaldehyde)manganese(II)
2010/7/1
The crystal structure of dichlorodiaquabis-(p-dimethylaminobenzaldehyde)manganese(II), [MnCl2(OH2)2(C9H11NO)2], was determined from X-ray intensity data. The structure consists of the isolated molecul...