Saeed Masoum

University of Kashan · Department of Analytical Chemistry

This study aims to optimize the lipid content of Scenedesmus sp. for high-yield biodiesel production. Three factors affecting the culture conditions, namely salinity, nitrogen concentration, and light intensity, were selected and their effects on the maximum lipid content were investigated using the Box Behnken design. The results showed that the m...

In this research, corrosion inhibition of 2-(4-methoxyphenyl)-benzothiazole as a novel inhibitor was considered by electrochemical impedance spectroscopy (EIS). Obtained data from EIS were assessed to model the corrosion inhibition procedure over the equivalent circuit. Experimental design approach in the field of corrosion science was studied in t...

For the first time, bituminous-based mesoporous carbon/zinc oxide (BMC/ZnO) nanocomposite was synthesized and its hydrogen storage capacity was investigated. At first, ZnO nanoparticles were prepared via the homogeneous precipitation technique using green tea extract as a participant agent. In the second step, mesoporous carbon was made from bitumi...

This study examines topsoil contamination in Aran-o-Bidgol urban region of central Iran, with a focus on potentially toxic elements (PTEs). A total of 135 topsoil samples in different land types were characterized, ranging from areas with agricultural farms, desert, industrial and residential activity, and brick kilns. The average concentrations of...

This study examines topsoil contamination in Aran-o-Bidgol urban region of central Iran, with a focus on potentially toxic elements (PTEs). A total of 135 topsoil samples in different land types were characterized, ranging from areas with agricultural farms, desert, industrial and residential activity, and brick kilns. The average concentrations of...

In this work, palm Bio-waste derived activated carbon (AC) was synthesized by chemical activation method and characterized via Fourier transform infrared spectroscopy (FTIR), high-resolution transmission electron microscopy (HRTEM), Field Emission-Scanning Electron microscopy(FE-SEM), Energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (X...

In this work, hierarchical ZIF-8 coated anodized aluminum foil was prepared through in-situ template-directed method without addition of any zinc salt. The hierarchical sorbent was synthesized by the formation of the final HZIF-8 on the previously created layered double oxide (LDO) template. The LDO template was created by calcining the firstly in-...

In the present work, Chlorella vulgaris, a well-known microalga was used as a carbonic precursor, to synthesis the water-soluble carbon dots (CDs) via hydrothermal method. To improve the properties, acidic carbon dots (ACDs) were also synthesized via ultrasoncation of microalgal biomass after acidic hydrolysis)using diluted acidic solution). The aq...

Having fragrant and useful components, essential oil of Rosa damascena Mill. with the common name of Rose otto is the most expensive and valuable natural aroma products in the world. Different products of R. damascena petals has been known as the most important and basic ingredients or additives in the food, drug, perfume and cosmetic industries in...

To promote the development of molecular imprinting technique in the separation and analysis of oxycodone, molecularly imprinted polymer based on the magnetic graphene oxide and carbon dots nanoparticles ([email protected]/CDs NPs) was developed using ultrasonic-assisted dispersive solid-phase microextraction (UA-DSPME) and high performance liquid c...

Herein, we present a simple, cost‐effective and robust strategy for the in‐situ preparation of Zn‐Al layered double oxides ‐ anodized aluminum thin film via a facile hydrothermal method, followed by calcination treatment of the Zn‐Al layered double hydroxide in the air atmosphere. The in‐situ prepared Zn‐Al layered double oxide‐anodized aluminum fi...

Pistacia Atlantica biomass was utilized as an activated carbon precursor for the preparation of copper oxide/activated carbon (CuO/AC) nanocomposites and the electrochemical hydrogen storage (EHS) capacities of copper oxide with different morphologies and provided nanocomposites were studied. Further, the influence of copper oxide pores size upon t...

The aim of this study was to optimize microencapsulation conditions of spearmint essential oil (SEO) by spray drying, using a blend of inulin and gum Arabic as wall material. The oil retention, encapsulation efficacy, hygroscopicity, and carvone content were investigated with respect to three variables, including total solid content (x1), oil conce...

Bakhtiari savory (Satureja bachtiarica Bunge.) belonging to the Lamiaceae family is an important Iranian herb, which its leaves is used as herbal medicine, spice, and nutraceuticalS. bachtiarica is widly distributed in the central Zagros Mountains of Iran. The essential oil from the aerial parts of the herb contains significant amounts of phenolic...

Chlorella Vulgaris, as a well-known green microalga is considered as a reliable biomass source with vast biotechnological potential to produce various high-performance products. In the present study, porous carbon with a specific surface area was produced via a hydrothermal technique. The investigated materials were characterized by Fourier-transfo...

Developing of inexpensive and high-performance materials for hydrogen storage as clean, sustainable, and renewable energy sources is crucial to replace fossil fuels. Electrochemical hydrogen storage capacity of Co9S8 nanoparticles codoped (via S and N) porous carbon nanocomposite (Co9S8@NSC) that is derived from the pyrolysis of Quercus Infectoria...

One of the pressing concerns in analytical chemistry is the construction of selective and sensitive sensors to detect trace analytes in complicated samples. Nowadays, molecularly imprinted polymers (MIPs) that play an important role in most sensing systems are created by molecular imprinting technology (MIT) with tailor-made and synthetic recogniti...

Bituminous coal as an abundant natural resource in Iran was successfully employed to facile synthesis nanoparticle and nanosheets of activated carbon (AC) for refinement of methylene blue (MB) effluent. The structural features of prepared carbon nanoparticles and nanosheets were determined by BJH (Barret–Joyner–Halenda), TEM (transmission electron...

An ultrasonic-assisted dispersive solid-phase microextraction was developed by a multi-stimuli responsive molecularly imprinted polymer based on chain transfer agent-modified chitosan nanoparticles for enrichment and separation of trace capecitabine in a real sample. The synthesized particles were carefully characterized and it was found that a uni...

An analytical methodology based on differential pulse voltammetry (DPV) on an Au nanoparticles modified carbon paste electrode (AuNPs/CPE) and the partial least-squares (PLS) algorithm for the determination of tryptophan (Trp) in the presence of unexpected electroactive interference, tyrosine (Tyr) with overlapped peaks, in serum samples was descri...

To protect anthocyanins of Iranian borage extract (IBE) by encapsulation, maltodextrin (MD)/modified maize starch (MMS) combinations were used at four ratios (MD/MMS: 1/0, 1/0.25, 1/0.5, 1/1, w/w%). The microencapsulated powders with different ratios of wall material presented encapsulation efficacy between 93.1 and 97.4%. FTIR confirmed the cross-...

Carbon dots have been employed in a series of exciting fields such as bioimaging, drug delivery, fluorescent probing and analysis, photo-catalysis. Improving fluorescence performance of carbon dots could result in broadening their applications, especially, in sensing and bioimaging systems. The purpose of this study is to fabricate carbon dots by m...

Activated carbon based on walnut shell as a biomass material was synthesized and successfully applied for the removal of malachite green (MG) from aqueous solution. Fourier transform infrared spectroscopy, Transmission electron microscopy, Brunauer–Emmett–Teller, Dynamic light scattering and X-ray diffraction were used to characterize the biomass....

In this study, oak fruit as a biomass was used to prepare CuO/OBM nanocomposite and the electrochemical hydrogen storage (EHS) capacity of this nanocomposite was investigated. The product was characterized via energy dispersive X-ray analysis (EDX), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), Fourier-transform infrared spectro...

Novel nano biomass (NBM) was synthesized using a general and simple synthetic approach. In this process, the walnut shell is used as a green carbon source. According to the transmission electron microscopy and dynamic light scattering results, the average particle size of the produced activated carbon was 2.25 nm. The surface area of the NBM was ar...

In this research, green, low toxicity and good biocompatibility fluorescent carbon dots (CDs) were prepared under one-step hydrothermal conditions from the essential oil of Thymus vulgaris L. as a carbon source. The morphology and composites of the CDs were characterized using transmission electron microscopy (TEM) and Fourier transform infrared sp...

Molecular recognition plays an important role in the numerous living systems. Molecularly imprinted polymers (MIPs) are tailor-made recognition particles that can mimic biological receptors and capable of sensitively and selectively recognize specific target molecules. In recent years, application of nanoparticles as sorbent has gained the signific...

In this study catalase (CAT) immobilization onto magnetic multi-walled carbon nanotubes (mMWCNTs) was done and the response surface methodology (RSM) employed to determine the optimum immobilization conditions. The validity of predicted values was established by comparing the actual and estimated values of CAT/mMWCNTs activity, 7.39 and 7.48 mM/min...

The preparation of bimetallic Pd/Pt nanofoam for use in fiber based solid-phase microextraction (SPME) is described. First, a highly porous copper foam was prepared on the surface of an unbreakable copper wire by an electrochemical method. Then, the substrate was covered with metallic Pd and Pt using galvanic replacement of the Cu nanofoam substrat...

In this paper we introduce a novel methodology to transmit the origin to the center of a polygon in a molecule structure such that the special axis be perpendicular to the plane containing the polygon. The mathematical calculations are described completely and the algorithm will be showed as a computer program.

A highly porous copper foam was constructed on the surface of an unbreakable copper wire by a very rapid electrochemical method. Then, the copper oxide arrays were constructed on the pore surface of the copper foam by the thermal process. The applicability of the fiber was examined for the head space SPME (HS-SPME) of benzene, toluene, ethylbenzene...

Optimization of skin care emulsions from the viewpoint of surfactants and ultraviolet filters formulation has been investigated using the experimental design. In this study, due to the variety of factors affecting the final product, the continuous process has been executed in two studies (optimization of basecream and sunscreen). For the first stud...

Ultrasonic-assisted solid-phase extraction via molecularly imprinted nanoparticles followed by HPLC-UV was used for trace determination of sotalol. Under optimized conditions, linear range, limit of detection, and limit of quantification of the proposed method were found to be 20–2000, 7.8, and 24 ng/mL, respectively. The adsorption capacity of sot...

A key feature of rice acceptance by consumers is closely related to its aroma. A few decades of research on rice aroma indicated associated difficulties which arise from its complicated volatile composition. Our investigation seeks to resolve this highly complicated aroma profile using an experimental design for headspace solid-phase microextractio...

Gaussian apodization factor analysis (GAFA) has been developed as an enhanced algorithm to assess the peak purity of the two-dimensional data, by weighting the fixed-size moving window via Gaussian formula. In GAFA method, submatrices are extracted by Gaussian apodization moving window. Therefore, each submatrix mainly characterizes the spectrum an...

A two-step ZnO nanoparticle-directed method has been implemented to prepare polymer monolith/zeolitic imidazolate framework (ZIF) solid-phase microextraction (SPME) fiber coatings with hierarchical micro-meso-macroporosity. The polymer/ZIF monolith was prepared on the surface of a stainless steel wire from a polymerization mixture containing disper...

Satureja hortensis L. and Oliveria decumbens Vent. are used in traditional medicine in the world due to its antifungal, antibacterial and antioxidant properties. In this study, the antimicrobial activities in Satureja hortensis L. and Oliveria decumbens Vent. essential oils against three microbial strains were evaluated by two different methods, in...

A unique metal oxide semiconductor sensor (MOS) array detector with eight sensors was designed and fabricated in a PTFE chamber as an interface for coupling with multicapillary gas chromatography. This design consists of eight transfer lines with equal length between the multicapillary columns (MCC) and sensors. The deactivated capillary columns we...

A modified multiwalled carbon nanotube-based magnetic molecularly imprinted polymers (MWCNT-MMIPs) was synthesized and applied for selective extraction and preconcentration of sotalol (SOT) in biological fluid samples by using the ultrasonic-assisted dispersive solid-phase microextraction (UA-DSPME). The synthetic particles were characterized by sc...

In the present study, determination of quercetin (QU) was studied in the presence of unexpected electroactive interference (tannic acid, TA) using electrochemical and chemometric methods. At first, the oxidation peak current of QU was optimized in the presence of TA by multivariate optimization strategy. The analysis was performed at the surface of...

In this study, the efficiencies of conventional hydro-distillation and novel microwave hydro-distillation methods in extraction of essential oil from Rosemary officinalis leaves have been compared. In order to attain the best yield and also highest quality of the essential oil in the microwave assisted method, the optimal values of operating parame...

Background & Aims of the Study: Regarding to development of industry, soil contamination has become a serious problem in many countries, such as Iran. The aim of the present work was the illustration of the accumulation of potentially harmful trace elements and the potential risk which is posed to human health in surface soils of three industrial e...

In this study, we successfully prepare porous carbon (PC) nanostructure derived from bituminous coal that shows it as a hopeful hydrogen storage adsorbent. The PC is characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscope (FT-IR), N2 adsorption/desorption (BET), scanning electron microscope (SEM) and transmission electr...

The aim of this research study was to apply experimental design in the optimization of influencing parameters on the corrosion inhibition efficiency of 2-(2-hydroxyphenyl)-benzothiazole using electrochemical impedance spectroscopy (EIS). By experimental design, the best measurement for a mixture of 2-(2-hydroxyphenyl)-benzothiazole and ethanol as a...

This study presents new strategy for the simultaneous quantification of two industrial contaminants. The excitation-emission fluorescence data matrix combined with three-way chemometric method such as PARAFAC was used for determination of nonylphenol ethoxylate (NPE-9) as a nonionic surfactant and 2- naphthalene sulfonate (2-NS) in waste water samp...

Four common food colorants, containing tartrazine, sunset yellow, ponceau 4R and methyl orange, are simultaneously quantified without prior chemical separation. In this study, an effective artificial neural network (ANN) method is designed for modeling multicomponent absorbance data with the presence of shifts or changes of peak shapes in spectrosc...

Background and purpose: Soil heavy metal contamination is a major environmental concern. Contaminants in urban soils can directly pose significant human health risks through oral ingestion, particle inhalation, and dermal contact. The purpose of this study was to determine the health risk of heavy metals in surface soils in Aran-Bidgol, Iran. Mater...

A new composite coating of polypyrrole and sodium lauryl ether sulfate was electrochemically prepared on a stainless-steel wire using cyclic voltammetry. The application and performance of the fiber was evaluated for the headspace solid-phase microextraction of a fragrance in aqueous bleach samples followed by gas chromatography combined with mass...

Heavy metals usually accumulate and migrate in soil environment due to human activities and this in return poses potential ecological and health risks. A total of 135 surface soil samples were collected from Aran-o-Bidgol City, Iran and were analyzed for their Cd, Pb, Ni and Cu concentrations to determine these elements’ spatial distribution and po...

There is an increasing demand for the development of brick kiln area in Iran, which emits a considerable amount of pollutants to environment. The present study aimed to investigate the extent of soil contamination by heavy metals around the brick kiln area in Aran-o-Bidgol City. The correlation coefficients, analysis of variance, principal componen...

Formaldehyde is commonly used in detergents and cosmetic products as antibacterial agent and preservative. This substance is unfavorable for human health because it is known to be toxic for humans and causes irritation of eyes and skins. The toxicology studies of this compound indicate risk of detergents and cosmetic formulations with a minimum con...

Despite official regulations, the illegal use of formaldehyde in detergents and cosmetic products has become a popular practice in many countries and high contents of formaldehyde in such products have been reported. In this study, a fluorescence methodology has been developed to measure the concentration of formaldehyde in detergents and cosmetic...

Analysis of fragrance composition is very important for both the fragrance producers and consumers. Unraveling of fragrance formulation is necessary for quality control, competitor and trace analysis. Gas chromatography-mass spectrometry (GC-MS) has been introduced as the most appropriate analytical technique for this type of analysis, which is bas...

The present paper is the report for the electrochemical determination of antibiotic drugs such as ciprofloxacin (CF). A glassy carbon electrode, modified with graphene nanosheets (GNS/GCE) was used for the determination of CF. The results revealed that the modified electrode shows an electrocatalytic activity toward the anodic oxidation of ciproflo...

Myrtus communis L. is an aromatic evergreen shrub and its essential oil possesses known powerful antimicrobial activity. However, the contribution of each component of the plant essential oil in observed antimicrobial ability is unclear. In this study, chemical components of the essential oil samples of the plant were identified qualitatively and q...

This study describes a novel approach for the simultaneous determination of CBS-X and CXT as widely used optical brighteners in household detergent, by combining the advantage of the high sensitivity of molecular fluorescence, and the selectivity of second-order chemometric methods. The proposed method is assisted by second-order chemometric analys...

The use of multivariate voltammetric calibration for the simultaneous determination of two preservatives (methylparaben (MP) and propylparaben (PP)) in cosmetics is reported. At first, electrochemical studies of MP and PP were done by cyclic voltammetry (CV), chronocoulometry (CHC) and linear sweep voltammetry (LSV) techniques. Then central composi...

Satureja hortensis L. and Oliveria decumbens Vent. are known for their diverse effects in drug therapy and traditional medicine. One of the most interesting properties of their essential oils is good antioxidant activity. In this paper, essential oils of aerial parts of S. hortensis L. and O. decumbens Vent. from different regions were obtained by...

In the present paper, for the first time multivariate optimization based on central composite rotatable design (CCRD) coupled with response surface methodology (RSM) was used to optimize all effective experimental variables for determination of methyldopa (MD). A simple and sensitive carbon nanocomposite electrode has been developed for the electro...

A microwave‐assisted multicomponent reaction was used to prepare a series of β‐hydroxy‐1,2,3‐triazoles in the presence of copper@PMO nanocomposites as a catalyst. Box–Behnken design and response surface methodology were used to optimize the influencing parameters such as catalyst content, reaction time and microwave power, being an economical way o...

Saffron is a valuable culinary spice that can be used not only for dyes and cooking, but also for many medical purposes. Due to its high price and restriction of its production, various fraud manners in its production have been growing. Addition of synthetic colorants to saffron is the most common way for adulteration. In this work, chemometric met...

Thyme species are used in traditional medicine throughout the world and are known for their antiseptic, antispasmodic and antitussive properties. Also, antioxidant activity is one of the interesting properties of thyme essential oil. In this research, it is aspired to identify peaks potentially responsible for the antioxidant activity of thyme oil...

A green and convenient study to one-pot synthesis of β-hydroxy-1,2,3-triazoles through a three component coupling a variety of epoxides and alkynes over copper-imprinted periodic mesoporous organosilica nanocomposites (Cu@PMO NCs) under ultrasound irradiation in the present of water as solvent, has been developed. An experimental design [Box-Behnke...

زمینه و هدف: آلودگی خاک چه ناشی از عوامل طبیعی و چه انسانی، کیفیت محیط ­زیست را کاهش می­ دهد. هدف این پژوهش ارزیابی استفاده از شاخص زمین ­انباشتگی، فاکتور آلودگی و تحلیل مؤلفه­ های اصلی در برآورد آلودگی خاک سطحی شهرستان آران و بیدگل است. روش بررسی: 135 نمونه خاک سطحی از شهرستان آران و بیدگل جمع­ آوری شد و غلظت عناصر کادمیوم، سرب، نیکل، مس و روی در...

In this work, the determination of sulfamethoxazole (SMX) and sulfamethizole (SMT) as important sulfa drugs by differential pulse voltammetry and chemometric resolution methods is proposed. Modified carbon paste electrode (CPE) with Fe doped ZnO (FeZnO) nanorods was used as an efficient electrochemical sensor. Operating conditions and influencing p...

In the present work preparation and application of a graphene oxide nanosheets (GO) based sensor for electrochemical determination of caffeic acid in the presence of catechin is described. This measurement was performed using differential pulse voltammetry (DPV) technique and chemometric methods such as multivariate curve resolution alternating lea...

Multivariate curve resolution by alternating least-squares (MCR-ALS) was used for voltammetric determination of dopamine (DA) in the presence of epinephrine (EP) at a gold nanoparticles chemically modified carbon paste electrode (AuNPs/CPE). Scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), and cyclic voltammetry (CV...

Multivariate resolution technique is a set of mathematical tools that uncovers the underlying profiles from a set of measurements of time evolving chemical systems. This technique was proposed for resolving the overlapping GC-MS peaks into pure chromatogram and mass spectra. In this paper, several common resolution chemometric techniques in GC-MS r...

A sensitive and rapid spectrofluorimetric method has been proposed for the quantitative analysis of linear alkyl benzene sulfonate (LABS) and optical brightener (OB) in the presence of unknown interferences with intense spectral overlapping in laundry powders and environmental samples. The method is based on second order multivariate calibration ap...

Application of multivariate curve resolution alternating least squares (MCR-ALS), for the resolution and quantification of two sulfonamide drugs containing sulfamethizole (SMT) and sulfapyridine (SPY) with a very high degree of overlapping voltammograms, is described. A simple and sensitive carbon nanocomposite electrode has been developed for the...

Comprehensive chemical profiling of herbal medicines (HMs) is a major challenge in chemical characterisation of source materials. Many analytical platforms such as gas chromatography-mass spectrometry (GC-MS) have been applied to the characterisation. However, the great complexity of analytical results has been an obstacle. Chemometric resolution m...

A graphene oxide nanosheet modified glassy carbon electrode (GO/GCE) was used for the determination of thymol (Thy) and caffeic acid (CA). The GO-based sensor was characterized by scanning electron microscopy and electrochemical impedance spectroscopy. The oxidation peak current of the Thy and CA was determined in a 0.2 M Britton–Robinson (B–R) buf...

In the present paper, differential pulse voltammetry (DPV) coupled with experimental design, as a new method, was developed for determination of sulfapyridine (SP). These measurements were carried out in a 0.2 M Britton-Robinson (B-R) buffer solution at the surface of multi-walled carbon nanotubes modified carbon paste electrode (MWCNT/CPE). Operat...

The volatile components of calligonum comosum were extracted using simultaneous distillation extraction (SDE) method and were analyzed by gas chromatography-mass spectrometry (GC-MS). The mass spectra obtained from their components were surveyed by search in NIST and Wiley library, but some of the components have not been satisfactory matching perc...

In the present work differential pulse voltammetry coupled with multivariate curve resolution-alternating least squares (MCR-ALS) was applied for simultaneous determination of betaxolol (Bet) and atenolol (Ate) in 0.20M Britton-Robinson (B-R) buffer solution at the surface of a multi-walled carbon nanotube modified carbon paste electrode (MWCNT/CPE...

The potential of Near Infrared Reflectance Spectroscopy (NIRS) as a fast method to predict the Crude Protein (CP) and Moisture (M) content in fishmeal by scanning spectra between 1000 and 2500 nm using multivariate regression technique based on Partial Least Squares (PLS) was evaluated. The coefficient of determination in calibration (R 2C) and Sta...

The essential oil of Mindium laevigatum was extracted applying simultaneous distillation extraction (SDE) method and studied with gas chromatography- mass spectrometry (GC-MS). The whole of 61 constituents were identified applying similarity search between the obtained mass spectra and database. This number was expanded to 91 using multivariate cur...

The essential oil of Mindium laevigatum was extracted applying simultaneous distillation extraction (SDE) method and studied with gas chromatography- mass spectrometry (GC-MS). The whole of 61 constituents were identified applying similarity search between the obtained mass spectra and database. This number was expanded to 91 using multivariate cur...

Support vector machines (SVMs) were used as a novel learning machine in the authentication of the origin of salmon. SVMs have the advantage of relying on a well-developed theory and have already proved to be successful in a number of practical applications. This paper provides a new and effective method for the discrimination between wild and farm...

Changes in colors of an array of optical sensors that responds in full pH range were recorded using a CCD camera. The data of the camera were transferred to the computer through a capture card. Simple software was written to read the specific color of each sensor. In order to associate sensor array responses with pH values, a number of different ma...

A hydrophilic transparent triacetyl cellulose membrane was adopted as a pH optode by immobilizing highly selective and sensitive Nile blue indicator on the membrane. Contrary to the common procedure for determinations using optodes, in which a steady state response is measured, a new approach is introduced in which the dynamic response of the optod...

The learning vector quantization (LVQ) neural network is a useful tool for pattern recognition. Based on the network weights obtained from the training set, prediction can be made for the unknown objects. In this paper, discrimination of wines based on 2D NMR spectra is performed using LVQ neural networks with orthogonal signal correction (OSC). OS...

Theoretical models relating atom-based structural descriptors to 13C NMR chemical shifts were used to accurately simulate 13C NMR spectra of lignin model compounds (poly-substituted phenols). The structure-activity relationship (SAR) studies for 15 lignins using pattern recognition methods of principal component analysis (PCA) and artificial neural...

Artificial neural networks (ANNs) are proposed for the determination of sulfite and sulfide simultaneously. The method is based on the reaction between Brilliant Green (BG) as a colored reagent and sulfite and/or sulfide in buffered solution (pH 7.0) and monitoring the changes of absorbance at maximum wavelength of 628nm. Experimental conditions su...

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A 1H-NMR procedure based on an analysis of its data by a multivariate calibration method was conducted for the simultaneous determination of theophylline and caffeine in synthetic and real samples. Partial least squares regression (PLS) was chosen as the calibration method. The methyl signals of theophilline at 3.36 and 3.54 ppm that overlapped wit...