Multivariety and multimanufacturer drug identification based on near-infrared spectroscopy and recurrent neural network

Near-infrared(NIR)spectral analysis,which has the advantages of rapidness,nondestruction and high-efficiency,is widely used in the detection of feed,food and mineral.In terms of qualitative identification,it can also be used for the discriminant analysis of medicines.Long short-term memory(LSTM)neural network,bidirectional long short-term memory(BiLSTM)neural network and gated recurrent unit(GRU)network are variants of the recurrent neural network(RNN).The potential relationship between nonlinear features learned from the sequence by these variants is used to complete the missions infields such as natural language processing,signal classification and video analysis.Since the effect of these variants in drug identification is still to be studied,this paper constructs a multiclassifier of these three variants,using compoundα-keto acid tablets produced by four manufacturers and repaglinide tablets produced by five manufacturers as the research object.Then,the paper analyzes the impacts of seven different preprocessed methods on the drug NIR data by constructing different layers of LSTM,BiLSTM and GRU networks and compares different classification model indicators and training time of each model.When the spectrum data are pre-processed by z-score normalization,the GRU-3 model has the best accuracy in all models.The BiLSTM models are better for analyzing high coincidence data.The method proposed in this paper can be further extended to other NIR spectroscopy data sets.

Sensitive determination of buformin using poly-aminobenzoic acid modified glassy carbon electrode

Glassy carbon electrode, which is used to electrochemically determine the content of buformin, is modified with an electropolymerized film of p-aminobenzoic acid in pH 7.0 acetate buffer solution （ABS）. The polymer showed an excellent electrocatalytic activity for the reduction of buformin. In pH 7.0 ABS, the cathodic peak current increased linearly over three concentration intervals of buformin, and the detection limit （S/N=3） was 2.0 ×10^9 g/mL. The method was successfully applied to directly determine buformin in tablets with standard addition recoveries of 95.8 102.5%. The proposed method is simple, cheap and highly efficient.

Comparative study of trastuzumab modification analysis using mono/ multi-epitope affinity technology with LC-QTOF-MS

Dynamic tracking analysis of monoclonal antibodies(mAbs)biotransformation in vivo is crucial,as certain modifications could inactivate the protein and reduce drug efficacy.However,a particular challenge(i.e.immune recognition deficiencies)in biotransformation studies may arise when modifications occur at the paratope recognized by the antigen.To address this limitation,a multi-epitope affinity technology utilizing the metal organic framework(MOF)@Au@peptide@aptamer composite material was proposed and developed by simultaneously immobilizing complementarity determining region(CDR)mimotope peptide(HH24)and non-CDR mimotope aptamer(CH1S-6T)onto the surface of MOF@Au nanocomposite.Comparative studies demonstrated that MOF@Au@peptide@aptamer exhibited significantly enhanced enrichment capabilities for trastuzumab variants in comparison to mono-epitope affinity technology.Moreover,the higher deamidation ratio for LC-Asn-30 and isomerization ratio for HCAsn-55 can only be monitored by the novel bioanalytical platform based on MOF@Au@peptide@aptamer and liquid chromatography-quadrupole time of flight-mass spectrometry(LC-QTOF-MS).Therefore,multi-epitope affinity technology could effectively overcome the biases of traditional affinity materials for key sites modification analysis of mAb.Particularly,the novel bioanalytical platform can be successfully used for the tracking analysis of trastuzumab modifications in different biological fluids.Compared to the spiked phosphate buffer(PB)model,faster modification trends were monitored in the spiked serum and patients'sera due to the catalytic effect of plasma proteins and relevant proteases.Differences in peptide modification levels of trastuzumab in patients'sera were also monitored.In summary,the novel bioanalytical platform based on the multi-epitope affinity technology holds great potentials for in vivo biotransformation analysis of mAb,contributing to improved understanding and paving the way for future research and clinical applications.

Bioactive components,pharmacological properties and underlying mechanism of Ganoderma lucidum spore oil:A review

Ganoderma lucidum is a Chinese medicinal fungus with a long history of use in healthcare and disease treatment.G.lucidum spores(GLS)are tiny germ cells released from the mushroom cap during the mature stage of growth.They contain all the genetic active substances of G.lucidum.G.lucidum spore oil(GLSO)is a lipid component extracted from broken-walled Ganoderma spores using supercritical CO_(2)extraction technology.GLSO contains fatty acids,Ganoderma triterpenes,sterols and other bioactive compounds.Previous studies have demonstrated that GLSO has a wide range of pharmacological properties,including anti-tumor,anti-aging,neuroprotection,immunomodulation,hepatoprotection and modulation of metabolic diseases.This review summarizes the research progress of GLSO over the past two decades in terms of its bioactive components,extraction and processing techniques,pharmacological effects and safety evaluation.This provides a solid foundation for further research and application of GLSO.

Four new corynanthe-type alkaloids from the roots of Alstonia scholaris

Four new corynanthe-type alkaloids,meloslines C–F(1–4),together with four known ones(5–8)were isolated from the roots of Alstonia scholaris.Their structures including absolute configurations were elucidated by extensive spectroscopic analysis and electronic circular dichroism(ECD)calculation.Compounds 1 and 2 exhibited potent vasorelaxant activity on endothelium-intact renal arteries precontracted with KCl.

Integrinα6 Targeted Near Infrared Fluorescent Imaging and Photoacoustic Imaging of Hepatocellular Carcinoma in Mice

Background and Aims:Hepatocellular carcinoma(HCC)is the fourth most common cause of cancer-related death and ranks sixth in terms of incident cases worldwide.The purpose of this study was to develop an effective and sensitive method to distinguish liver cancer tissues from normal tissues in HCC patients.Integrinα6 is a promising cell surface target for molecular imaging of HCC,where it is overexpressed and is a prognostic biomarker.We previously identified an integrinα6-targeted peptide CRWYDENAC(RWY)that has been used for positron emission tomography(PET)imaging of HCC in mouse models.Methods:We labeled the integrinα6-targeted RWY peptide with cyanine 7(Cy7)to form an optical probe(Cy7-RWY)for near infrared fluorescent(NIRF)and photoacoustic(PA)imaging in HCC.Mice transplanted with subcutaneous HCC-LM3 or orthotopic HCC-H22 cells that overexpressed integrinα6 were intravenously injected with Cy7-RWY and its corresponding Cy7-control.NIRF and PA images of mice were collected from 0 to 48 h after injection.Results:Both NIRF and PA signals started to accumulate in the tumor 2 h after injection of Cy7-RWY and peaked at 24 h.Conclusions:Cy7-RWY is a promising optical probe for NIRF and PA imaging of HCC in mice,and has potential clinical application for HCC detection.

Facile Preparation and Extensive Characterization of Naproxen–β-Cyclodextrin Inclusion Complex

Naproxen–β-cyclodextrin inclusion complex was prepared by the freeze-drying method and analyzed by IR,UV spectroscopy,X-ray diffractometry and differential scanning calorimetry.Phase solubility,dissolution and inclusion rate of the complex were determined.The phase solubility diagram was of the AL type,which revealed that the molar ratio of naproxen toβ-cyclodextrin was 1:1.The solubility of naproxen significantly increased with increasingβ-cyclodextrin concentration.The apparent stability constant,Kc,was calculated from the slope and intercept of the AL solubility diagram as 2376/M.The total released amount and released time of naproxen from the inclusion complex were better than that of the intact naproxen.