Abstract
Paclitaxel is known as one of the most effective anticancer drugs. Near Infrared Spectroscopy (NIRS), a rapid, precise and non-destructive approach of analysis, has been widely used for qualitative and quantitative detection. The present study aims to analyze the plasma paclitaxel concentration with NIRS. Various batches of plasma samples were prepared and the concentration of paclitaxel was determined via high performance liquid chromatography tandem mass spectrometry (LC-MS/MS). The outliers and the number of calibration set were confirmed by Monte Carlo algorithm combined with partial least squares (MCPLS). Since NIR spectra may be contaminated by signals from background and noise, a series of preprocessing were performed to improve signal resolution. Moving window PLS and radical basis function neural network (RBFNN) methods were applied to establish calibration model. Although both PLS and RBFNN models are well-fitting, RBFNN-established model displayed better qualities on stability and predictive ability. The correlation coefficients of calibration curve and prediction set (Rc2 and Rp2) are 0.9482 and 0.9544, respectively. Moreover, independent verification test with 20 samples confirmed the well predictive ability of RBFNN model.
Keywords: Near infrared spectroscopy, paclitaxel, partial least squares, plasma, radical basis function neural network.
Combinatorial Chemistry & High Throughput Screening
Title:Near Infrared Spectroscopic Combined with Partial Least Squares and Radial Basis Function Neural Network to Analyze Paclitaxel Concentration in Rat Plasma
Volume: 18 Issue: 8
Author(s): Gaoyang Xing, Jiaming Cao, Di Wang, Jia Song, Jia-hui Lu, Qing-fan Meng, Guodong Yan and Le-sheng Teng
Affiliation:
Keywords: Near infrared spectroscopy, paclitaxel, partial least squares, plasma, radical basis function neural network.
Abstract: Paclitaxel is known as one of the most effective anticancer drugs. Near Infrared Spectroscopy (NIRS), a rapid, precise and non-destructive approach of analysis, has been widely used for qualitative and quantitative detection. The present study aims to analyze the plasma paclitaxel concentration with NIRS. Various batches of plasma samples were prepared and the concentration of paclitaxel was determined via high performance liquid chromatography tandem mass spectrometry (LC-MS/MS). The outliers and the number of calibration set were confirmed by Monte Carlo algorithm combined with partial least squares (MCPLS). Since NIR spectra may be contaminated by signals from background and noise, a series of preprocessing were performed to improve signal resolution. Moving window PLS and radical basis function neural network (RBFNN) methods were applied to establish calibration model. Although both PLS and RBFNN models are well-fitting, RBFNN-established model displayed better qualities on stability and predictive ability. The correlation coefficients of calibration curve and prediction set (Rc2 and Rp2) are 0.9482 and 0.9544, respectively. Moreover, independent verification test with 20 samples confirmed the well predictive ability of RBFNN model.
Export Options
About this article
Cite this article as:
Xing Gaoyang, Cao Jiaming, Wang Di, Song Jia, Lu Jia-hui, Meng Qing-fan, Yan Guodong and Teng Le-sheng, Near Infrared Spectroscopic Combined with Partial Least Squares and Radial Basis Function Neural Network to Analyze Paclitaxel Concentration in Rat Plasma, Combinatorial Chemistry & High Throughput Screening 2015; 18 (8) . https://dx.doi.org/10.2174/1386207318666150803130621
DOI https://dx.doi.org/10.2174/1386207318666150803130621 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
Call for Papers in Thematic Issues
Artificial Intelligence Methods for Biomedical, Biochemical and Bioinformatics Problems
Recently, a large number of technologies based on artificial intelligence have been developed and applied to solve a diverse range of problems in the areas of biomedical, biochemical and bioinformatics problems. By utilizing powerful computing resources and massive amounts of data, methods based on artificial intelligence can significantly improve the ...read more
Eco-friendly Agents for Biological Control of Pathogenic Diseases
The discovery of an alternative biological approach to disease management includes work on medicinal products derived from natural sources as a starting point for the development of eco-friendly agents for these diseases and the injuries they cause, as well as reducing human contact with hazardous chemicals and their residues. We ...read more
Emerging trends in diseases mechanisms, noble drug targets and therapeutic strategies: focus on immunological and inflammatory disorders
Recently infectious and inflammatory diseases have been a key concern worldwide due to tremendous morbidity and mortality world Wide. Recent, nCOVID-9 pandemic is a good example for the emerging infectious disease outbreak. The world is facing many emerging and re-emerging diseases out breaks at present however, there is huge lack ...read more
Exploring Spectral Graph Theory in Combinatorial Chemistry
Scope of the Thematic Issue: Combinatorial chemistry involves the synthesis and analysis of a large number of diverse compounds simultaneously. Traditional methods rely on brute force experimentation, which can be time-consuming and resource-intensive. Spectral Graph Theory, a branch of mathematics dealing with the properties of graphs in relation to the ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Myeloid Derived Suppressor Cells and Their Role in Diseases
Current Medicinal Chemistry Recent Advances on Dark and Light-Activated Cytotoxity of Imidazole- Containing Ruthenium Complexes
Mini-Reviews in Medicinal Chemistry Tyrosine Kinase Inhibitors
Current Cancer Drug Targets Preparation and Surface Modification of Polymeric Nanoparticles for Drug Delivery: State of the Art
Recent Patents on Drug Delivery & Formulation Clinical Pharmacotherapy and Drug Development for Pulmonary Arterial Hypertension
Recent Patents on Cardiovascular Drug Discovery Biological Drugs in Guillain-Barré Syndrome: An Update
Current Neuropharmacology Hepatitis C Virus Infection and Antiviral Treatment in Marginal Zone Lymphomas
Current Clinical Pharmacology Curcumin Therapeutic Modulation of the Wnt Signaling Pathway
Current Pharmaceutical Biotechnology Pharmacogenetics and Inflammatory Bowel Disease
Current Pharmacogenomics and Personalized Medicine From Stem Cell Biology to The Treatment of Lung Diseases
Current Stem Cell Research & Therapy Pomegranate, its Components, and Modern Deliverable Formulations as Potential Botanicals in the Prevention and Treatment of Various Cancers
Current Drug Delivery Salinomycin Modulates the Expression of mRNAs and miRNAs Related to Stemness in Endometrial Cancer
Current Pharmaceutical Biotechnology Treatment of Squamous Cell Carcinoma of the Head and Neck in the Metastatic and Refractory Settings: Advances in Chemotherapy and the Emergence of Small Molecule Epidermal Growth Factor Receptor Kinase Inhibitors
Current Cancer Drug Targets Na, K-ATPase as a Biological Target for Gold(III) Complexes: A Theoretical and Experimental Approach
Current Medicinal Chemistry Doxorubicin-Loaded Nanoparticles: New Advances in Breast Cancer Therapy
Anti-Cancer Agents in Medicinal Chemistry Systemic Therapies for Pancreatic Cancer - The Role of Pharmacogenetics
Current Drug Targets Chemistry and Biological Activity of [1,2,3]-Benzotriazine Derivatives
Current Organic Chemistry Metastatic Site Location Influences the Diagnostic Accuracy of ctDNA EGFR- Mutation Testing in NSCLC Patients: a Pooled Analysis
Current Cancer Drug Targets Pharmacological Intervention at CCR1 and CCR5 as an Approach for Cancer: Help or Hindrance
Current Topics in Medicinal Chemistry Protein Knockdown Technology: Application of Ubiquitin Ligase to Cancer Therapy
Current Cancer Drug Targets