A capillary electrophoresis (CE)-potential gradient detection (PGD) method was developed for quick and sensitive determinations of puerarin, farrerol and baicalin. The flavonoids were baseline separated in 1.9 min with a buffer comprised of 20 mM tris(hydroxymethyl)aminomethane (Tris) and 3 mM HCl at pH 8.69. The analysis time is, to the best of our knowledge, the shortest for the CE analysis o...

A swab-sampling method was developed for cleaning validation of a residual active pharmaceutical ingredient in samples collected after cleaning the sampling suite. A summary of the strategies and results of the method development is presented. The developed extraction method produced an acceptable level of recovery and precision. ross contamination with active ingredients is a real concern. The...

To reveal the structural stabilities and transformation mechanism of rhynchophylline (RIN) and isorhynchophylline (IRN), HPLC and UPLC-Q-TOF-MS method were developed for the qualitative and quantitative analysis of the conversion rate. The method was validated for linearity, inter- and intra-day precisions, repeatability and stability. All the quantitative determination method validation result...

A very simple, non-destructive, inexpensive and green strategy was applied for the simultaneous determination of ibuprofen (IBP) and paracetamol (PC) using transmission Fourier Transform Infrared (FTIR) spectroscopy in tablet formulations for routine quality control laboratories. For the determination of the active pharmaceutical ingredients (API), KBr pellets containing known amount of standar...

A simple, specific, sensitive, precise, selective and accurate reverse phase high performance liquid chromatographic method was developed for the determination of canagliflozin in human plasma as per US-FDA guidelines. Plasma samples were extracted by protein precipitation method using methanol as extracting solvent. The chromatographic separation was performed with WATERS EA874 (250 ́ 4.6 mm, ...

We recently reported the development of a computational method for the design of coassembling multicomponent protein nanomaterials. While four such materials were validated at high-resolution by X-ray crystallography, low yield of soluble protein prevented X-ray structure determination of a fifth designed material, T33-09. Here we report the design and crystal structure of T33-31, a variant of ...

Effective skin antisepsis is of central importance in the prevention of wound infections, colonization of medical devices, and nosocomial transmission of microorganisms. Current antiseptics have a suboptimal efficacy resulting in substantial infectious morbidity, mortality, and increased health care costs. Here, we introduce an in vitro method for antiseptic testing and a novel alcohol-based an...

A rapid, specific, and reliable LC-MS/MS-based bioanalytical method was developed and validated in rat plasma for the simultaneous quantitation of amitriptyline and its metabolite nortriptyline. Chromatographic separation of these analytes was achieved on a Gemini C18 column (50 × 4.60 mm, 5 μm) using reversed-phase chromatography. The mobile phase was an isocratic solvent system consisting of ...

Molecular dynamics (MD) simulations are useful tools for structure-based drug design. We review recent publications in which explicit solvent MD was used at the initial or final stages of high-throughput docking campaigns. In some cases, MD simulations of the protein target have been carried out before docking to generate a conformer of the protein which differs from the available crystal struc...