ABSTRACT
An efficient copper-catalyzed direct 2-arylation of benzoxazoles and benzoimidazoles with aryl bromides is presented. The CuI/PPh3-based catalyst promotes the installation of various aryl and heteroaryl groups through a C-H activation process in good to excellent yields. The cytotoxicity of obtained 2-aryl benzoxazoles (benzoimidazoles) was also evaluated and 1-methyl-2-(naphthalen-1-yl)benzoimidazole showed potential cytotoxicity.
Subject(s)
Benzene/chemistry , Benzoxazoles/chemistry , Bromides/chemistry , Copper/chemistry , Imidazoles/chemistry , Benzoxazoles/chemical synthesis , Benzoxazoles/pharmacology , Catalysis , Cell Line, Tumor , Cell Survival/drug effects , Crystallography, X-Ray , HCT116 Cells , Hep G2 Cells , Humans , Imidazoles/chemical synthesis , Imidazoles/pharmacology , Models, Chemical , Molecular StructureABSTRACT
The projection algorithm used in mixture analysis to determine whether there is unknown disturbance existing in grey system can not accurately identify different samples and similar samples at the same time when it is used in the identification of drugs, because of the insufficient criteria. In the present study, one of its criteria for whether the size of measurement error of testing sample is at a limited level is improved for whether the size and distribution of measurement error is equal and similar between testing sample and standard sample. By testing 6 kinds of normal drugs (including BAYER Aspirin Enteric-coated Tablets, TYLENOL Acetaminophen Sustained Release Tablets, BAYER Compound Paracetamol Tablets(II), HUAZHONG Compound Vitamin C, HUAZHONG Vitamin B and MADINGLIN Demperidone Tablets) and 3 kinds of similar drugs of aspirin (including BAYER Aspirin Enteric-coated Tablets, Shanghai SINE Aspirin Enteric-coated Tablets and Bamyl Aspirin Effervescent Tablets), it was found that the un-improved projection algorithm directly used in discrimination of drugs shows poor performance with many problems existing, however, the improved projection algorithm can discriminate different drugs and similar drugs with accuracy up to 100%. The improved projection algorithm can be a universal, accurate and reliable automated pharmaceutical identification algorithm and can provide a reference for the study on identification of substance.
Subject(s)
Algorithms , Chemistry, Pharmaceutical/methods , Spectrum Analysis, Raman , Acetaminophen/analysis , Aspirin/analysis , TabletsABSTRACT
In order to smooth the spectra automatically and reliably, a spectral smoothing algorithm with adaptive multiscale window average (AWMA) is demonstrated. In this method, different positions of the spectra are smoothed by windows of different width, and the width of the windows will directly affect smoothing. The window with inappropriate width may cause excessive denoising (peak distortion or loss) or inadequate denoising (the flat region of the spectra still contains a lot of noise). So, how to get the right width of the window is the key of spectral smoothing. The algorithm optimized the width of windows by an iterative method, and verified whether the width is the best according to statistical Z-test. In order to increase the reliability of the algorithm, a comprehensive comparison of the thresholds of hypothesis according to simulation data of different SNR was performed. When the threshold is set to 1. 1, the denoising effect can be the best. In this work, the AMWA algorithm was tested by simulated spectra and real syectra, and it can automatically adapt to different spectral shape and different noise intensity. A comprehensive comparison of AMWA smoothing, Savitzky-Golay smoothing and moving average smoothing was performed in this paper, and the AMWA algorithm is better than the other two algorithms. Results show that the AMWA algorithm not only has better denoising effect, but also has higher accuracy and fidelity. This method has achieved great effect not only to simulated spectra but also to real spectra.
