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Spectra selection methods:A novel optimization way for treating dynamic spectra and in-line near infrared modeling

Journal of Innovative Optical Health Sciences 2020年第4期3卷 28-38页

作者： Haiyan Wang Ronghua Liu Lei Nie Dongbo Xu Wenping Yin Lian Li Hengchang Zang School of Pharmaceutical Sciences shandong University Wenhuaxi Road 44 Jinan 250012P.R.China National Glyco.ngineering Research Center shandong University Wenhuaxi Road 44 Jinan 250012 P.R.China shandong sma pharmatech co. Ltd 165Huabei Rd.High&New Technology Zone Zibo Shandong 0533P.R.China

Near infrared(NIR)spectrosco.y is now widely used influidized bed granulation.However,there are still some demerits that should be overco.e in practice.Valid spectra selection during modeling process is now a hard nut to crack.In this study,a novel NIR sensor and a co.ine distance method were introduced to solve this problem in order to make thefluidized process into"visualization".A NIR sensor wasfixed on the side of the expansion chamber to acquire the NIR spectra.Then valid spectra were selected based on a co.ine distance method to reduce the influence of dynamic disturbances.Finally,spectral pretreatment and wavelength selection methods were investigated to establish partial least squares(PLS)models to monitor the mois-ture co.tent.The results showed that the root mean square error of prediction(RMSEP)was 0.124%for moisture co.tent model,which was much lower than that without valid spectra selection treatment.All results demonstrated that with the help of valid spectra selection treatment,NIR sensor co.ld be used for real-time determination of critical quality attributes(CQAs)more accurately.It makes the manufacturing easier to understand than the process parameter co.trol.

关键词： Near infrared spectrosco.y fluidized bed granulation critical quality attributes real-time monitoring spectra selection

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Amphiphilic small molecular mates match hydrophobic drugs to form nanoassemblies based on drug-mate strategy

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Asian Journal of Pharmaceutical Sciences 2022年第1期17卷 129-138页

作者： Leiqiang Han Shuang Liang Weiwei Mu Zipeng Zhang Limin Wang Shumin Ouyang Bufan Yao Yongjun Liu Na Zhang Department of Pharmaceutics Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesCheeloo College of MedicineShandong UniversityJinan 250012China

Nanomedicine has made great progress in the targeted therapy of cancer. Here, we established a novel drug-mate strategy by studying the formulation of nanodrugs at the molecular level. In the drug-mate co.bination, the drug is a hydrophobic drug that is poorly soluble in water, and the mate is an amphiphilic small molecule (sma) that has both hydrophilic and lipophilic properties. We proposed that the hydrophobic drug co.ld co.assemble with a suitable sma on a nanoscale without additive agents. The proof-ofco.cept methodology and results were presented to support our hypothesis. We selected five hydrophobic drugs and more than ten amphiphilic small molecules to co.struct a library. Through molecular dynamic simulation and quantum chemistry co.putation,we speculated that the formation of nanoassemblies was related to the binding energy of the drug-mate, and the drug-mate interaction must overco.e drug-drug interaction.Furthermore, the obtained SF/VEco.Na nanoassemblieswas selected as a model, which had an ultra-high drug loading co.tent (46%), improved pharmaco.inetics, increased bioavailability, and enhanced therapeutic efficacy. In summary, the drug-mate strategy is an essential resource to design exact sma for many hydrophobic drugs and provides a reference for the design of a carrier-free drug delivery system.

关键词： Drug-mate strategy Molecular level Hydrophobic drug small molecular mate Nanoassemblies

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