Application of unfolded principal component analysis–radial basis function neural network for determination of celecoxib in human serum by three-dimensional excitation–emission matrix fluorescence spectroscopyby Mohsen Shahlaei, Gholamreza Bahrami, Sajjad Abdolmaleki, Komail Sadrjavadi, Mohammad Bagher Majnooni

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

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Year
2015
DOI
10.1016/j.saa.2014.12.007
Subject
Instrumentation / Analytical Chemistry / Atomic and Molecular Physics, and Optics / Spectroscopy

Text

Accepted Manuscript

Application of Unfolded Principal Component Analysis-Radial Basis Function

Neural Network for Determination of Celecoxib in Human Serum by ThreeDimensional Excitation–Emission Matrix Fluorescence Spectroscopy

Mohsen Shahlaei, Gholamreza Bahrami, Sajjad Abdolmaleki, Komail

Sadrjavadi, Mohammad Bagher Majnooni

PII: S1386-1425(14)01769-7

DOI: http://dx.doi.org/10.1016/j.saa.2014.12.007

Reference: SAA 13039

To appear in: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Received Date: 21 July 2014

Revised Date: 20 November 2014

Accepted Date: 1 December 2014

Please cite this article as: M. Shahlaei, G. Bahrami, S. Abdolmaleki, K. Sadrjavadi, M.B. Majnooni, Application of

Unfolded Principal Component Analysis-Radial Basis Function Neural Network for Determination of Celecoxib in

Human Serum by Three-Dimensional Excitation–Emission Matrix Fluorescence Spectroscopy, Spectrochimica

Acta Part A: Molecular and Biomolecular Spectroscopy (2014), doi: http://dx.doi.org/10.1016/j.saa.2014.12.007

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Application of Unfolded Principal Component Analysis-Radial Basis Function Neural

Network for Determination of Celecoxib in Human Serum by Three-Dimensional

Excitation–Emission Matrix Fluorescence Spectroscopy

Mohsen Shahlaei1,2*, Gholamreza Bahrami2, Sajjad Abdolmaleki3, Komail Sadrjavadi1,

Mohammad Bagher Majnooni1, 1Novel Drug Delivery Research Center, School of Pharmacy, Kermanshah University of Medical

Sciences, Kermanshah, Iran 2Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah,

Iran 3Student Research Committee, Kermanshah University of Medical Sciences, Kermanshah, Iran *Corresponding author:

Mohsen Shahlaei, PhD

Department of Medicinal Chemistry, Faculty of Pharmacy, Kermanshah University of Medical

Sciences, 67346-67149, Kermanshah, Iran.Tel.: +98-831-4276489; Fax: +98-831-4276493; Email: mohsenshahlaei@yahoo.com AND mshahlaei@kums.ac.ir 2

Abstract

This study describes a simple and rapid approach of monitoring celecoxib (CLX). Unfolded principal component analysis-radial basis function neural network (UPCA-RBFNN) and excitation-emission spectra were combined to develop new model in the determination of

CLX in human serum samples. Fluorescence landscapes with excitation wavelengths from 250 to 310 nm and emission wavelengths in the range 280–450 nm were obtained. The figures of merit for the developed model were evaluated. High performance liquid chromatography (HPLC) technique was also used as a standard method. Accuracy of the method was investigated by analysis of the serum samples spiked with various concentration of CLX and a recovery of 103.63 % was obtained. The results indicated that the proposed method is an interesting alternative to the traditional techniques normally used for determining CLX such as HPLC.

Keyword: Celecoxib; Excitation-emission fluorescence matrices; Principal component analysis;

Radial basis function neural network 3 1. Introduction

CLX is a nonsteroidal anti-inflammatory drug that exhibits anti-inflammatory, analgesic and antipyretic activities in human and animal models. It is a diaryl substituted pyrazole designated as 4-[5-(4-methylphenyl) 3-(trifluoromethyl)-1H-pyrazol-1-yl] benzenesulfonamide (Scheme 1). [Scheme 1 near here]

The mechanism of action of CLX is believed to be due to inhibition of prostaglandin synthesis by blocking cyclooxigenase-2 (COX-2). At therapeutic concentrations in humans, CLX does not inhibit the cyclooxigenase-1(COX-1) isoenzyme. COX (PGH synthase) catalyzes the conversion of arachidonic acid (or other 20 fatty acid) to prostaglandin (PG) G2and PGH2 , which are subsequently converted to a variety of eicosanoids that include PGE2, PGD2, PGF2α, PGI2 and thromboxane (TX) [1]. Those prostacyclins, prostaglandins and thromboxans act as important mediators of physiological and inflammatory responses [2].The discovery of two cyclooxygenases (COX): the constitutive form COX-1 and the inducible form COX -2, develops a new generation of NSAIDs COX-2 inhibitors [3]. COX-1 inhibitors, like aspirin, inactivate platelet cyclooxigenase irreversibly and at high dosage the COX-1 inhibition is generalized and more damage to the gastrointestinal tract result , so that COX-1 is mainly associated with homeostasis. On the contrary, inducible COX-2 would be the mayor isoenzime responsible for the production of proinflammatory mediators, and for these reason COX-2 inhibitors had no effect on platelet aggregation and lower rate of gastrointestinal, pulmonary and renal side effects would be expected [4-6]. 4

CLX is indicated for relief of the signs and symptoms of osteoarthritis, rheumatoid arthritis and to reduce the number of adenomatous colorectal polyps in familiar adenomatous polyposis (FAP). Therefore, development of simple, accurate, and sensitive methods for the routine analysis of CLX especially in biological samples is of invaluable importance.

The role of spectrofluorimetry in the analysis of pharmaceutical compounds has increased. The application of spectrofluorimetry to the analysis of pharmaceutical compounds in biological fluids is advantageous because of the high sensitivity that can be achieved. However, the selectivity is often reduced by extensive spectral overlap or in the presence of matrix interferences. In this context, chemometrics techniques such as principal component analysis (PCA) are useful in circumventing the selectivity problems. PCA is a very useful approach of extracting information from an excitation–emission matrix (EEM), i.e. several samples where the fluorescence intensity is depicted as a function of both excitation and emission wavelengths.