The use of chemometrics to study multifunctional indole alkaloids from Psychotria nemorosa (Palicourea comb. nov.). Part I: Extraction and fractionation optimization based on metabolic profiling.

摘要: Extraction methods evaluation to access plants metabolome is usually performed visually, lacking a truthful method of data handling. In the present study major aim was developing reliable time- and solvent-saving extraction fractionation alkaloid profiling Psychotria nemorosa leaves. Ultrasound assisted selected as method. Determined from Fractional Factorial Design (FFD) approach, yield, sum peak areas, numbers were rather meaningless responses. However, Euclidean distance calculations between UPLC-DAD metabolic profiles blank injection evidenced extracts are highly diverse. Coupled with calculation plotting effects per time point, it possible indicate thermolabile peaks. After screening, temperature for optimization, while plant:solvent ratio set at 1:50 (m/v), number extractions one particle size ≤180μm. From Central Composite (CCD) results modeling heights important peaks, previously indicated by FFD profile analysis, 65min 45°C, thus avoiding degradation. For step, solid phase optimized Box-Behnken (BBD) approach using areas response. Sample concentration consequently 150mg/mL, % acetonitrile in dichloromethane 40% eluting solvent, volume 30mL. Summarized, metabolite provided significant responses accessing P. alkaloids, allowing methods, degradation decreasing required solvent volume.