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This paper presents a preliminary study in building discriminant models from solid-state NMR spectrometry data to detect the presence of acetaminophen in over-the-counter pharmaceutical formulations. The dataset, containing 11 spectra of pure substances and 21 spectra of various formulations, was processed by partial least squares discriminant analysis (PLS-DA). The model found coped with the discrimination, and its quality parameters were acceptable. It was found that standard normal variate preprocessing had almost no influence on unsupervised investigation of the dataset. The influence of variable selection with the uninformative variable elimination by PLS method was studied, reducing the dataset from 7601 variables to around 300 informative variables, but not improving the model performance. The results showed the possibility to construct well-working PLS-DA models from such small datasets without a full experimental design.  相似文献   
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[reaction: see text] (+/-)-Mitorubrinic acid, a member of the azaphilone family of natural products, has been constructed in 12 steps. Key aspects of the synthesis include elaboration and oxidative dearomatization of an isocoumarin intermediate to provide the azaphilone nucleus with a disubstituted, unsaturated carboxylic acid side chain.  相似文献   
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We report on the incoherent beam combination of the four narrow-linewidth fiber amplifier chains running at different wavelengths. Each main amplifier stage consists of a large-mode-area photonic crystal fiber delivering more than 2 kW of optical power. The four output beams are spectrally combined to a single beam with an output power of 8.2 kW using a polarization-independent dielectric reflective diffraction grating mainly preserving the beam quality of the individual fiber amplifiers.  相似文献   
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JPC – Journal of Planar Chromatography – Modern TLC - Lipophilicity is often estimated by thin-layer chromatography (TLC) as a fundamental property related to biological and...  相似文献   
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The design and synthesis of several novel X-ray contrast agents 1-3, developed for targeting bone structures, and in particularly microcracks in bones, using CT (Computer Tomography) detection is described. These contrast agents are based on the use of the well known triiodobenzene platform, which was conjugated into one or more phenyliminodiacetate moieties, which can be used to 'lock' onto bone matrices. Compounds 1-3 were all tested for their ability to visualise cracks in bone structures (bovine bones) using micro-CT imaging.  相似文献   
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