Analytica chimica acta

Publisher: Elsevier

Description

  • Impact factor
    4.31
  • 5-year impact
    3.52
  • Cited half-life
    6.20
  • Immediacy index
    0.66
  • Eigenfactor
    0.08
  • Article influence
    0.86
  • ISSN
    1873-4324

Publisher details

Elsevier

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    • Publisher last contacted on 18/10/2013
  • Classification
    ​ green

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: The accurate analytical method of bromine (Br) in plastic was developed by an isotope dilution inductively coupled plasma mass spectrometry (ID-ICPMS). The figures of merit of microwave acid digestion procedures using polytetrafluoroethylene (PTFE) or quartz vessels were studied and the latter one was suitable for Br analysis since its material was free from Br contamination. The sample dilution procedures using Milli-Q water or ammonium (NH3) solution were also studied to remove memory effect for ICPMS measurement. Although severe memory effect was observed on Milli-Q water dilution, NH3 solution could remove it successfully. The accuracy of the ID-ICPMS was validated by a certified reference material (CRM) as well as the comparison with the analytical result obtained by an instrumental neutron activation analysis (INAA) as different analytical method. From these results, the ID-ICPMS developed in the present study could be evaluated as accurate analytical method of Br in plastic materials and it could apply to certification of Br in candidate plastic CRM with respect to such regulations related to RoHS (restriction of the use of hazardous substances in electrical and electronics equipment) directive.
    Analytica chimica acta 06/2014;
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    ABSTRACT: Analytical self-modeling curve resolution (SMCR) methods resolve data sets to a range of feasible solutions using only non-negative constraints. The Lawton-Sylvestre method was the first direct method to analyze a two-component system. It was generalized as a Borgen plot for determining the feasible regions in three-component systems. It seems that a geometrical view is required for considering curve resolution methods, because the complicated (only algebraic) conceptions caused a stop in the general study of Borgen's work for 20 years. Rajkó and István revised and elucidated the principles of existing theory in SMCR methods and subsequently introduced computational geometry tools for developing an algorithm to draw Borgen plots in three-component systems. These developments are theoretical inventions and the formulations are not always able to be given in close form or regularized formalism, especially for geometric descriptions, that is why several algorithms should have been developed and provided for even the theoretical deductions and determinations. In this study, analytical SMCR methods are revised and described using simple concepts. The details of a drawing algorithm for a developmental type of Borgen plot are given. Additionally, for the first time in the literature, equality and unimodality constraints are successfully implemented in the Lawton-Sylvestre method. To this end, a new state-of-the-art procedure is proposed to impose equality constraint in Borgen plots. Two- and three-component HPLC-DAD data set were simulated and analyzed by the new analytical curve resolution methods with and without additional constraints. Detailed descriptions and explanations are given based on the obtained abstract spaces.
    Analytica chimica acta 05/2014; 827:1-14.
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    ABSTRACT: Multivariate screening methods are increasingly being implemented but there is no worldwide harmonized criterion for their validation. This study contributes to establish protocols for validating these methodologies. We propose the following strategy: (1) Establish the multivariate classification model and use receiver operating characteristic (ROC) curves to optimize the significance level (α) for setting the model's boundaries. (2) Evaluate the performance parameter from the contingency table results and performance characteristic curves (PCC curves). The adulteration of hazelnut paste with almond paste and chickpea flour has been used as a case study. Samples were analyzed by infrared (IR) spectroscopy and the multivariate classification technique used was soft independent modeling of class analogies (SIMCA). The ROC study showed that the optimal α value for setting the SIMCA boundaries was 0.03 in both cases. The sensitivity value was 93%, specificity 100% for almond and 98% for chickpea, and efficiency 97% for almond and 93% for chickpea.
    Analytica chimica acta 05/2014; 827:28-33.
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    ABSTRACT: A new method of sample preparation was developed and is reported for the first time. The approach combines in-vial filtration with dispersive solid-phase extraction (d-SPE) in a fast and convenient cleanup of QuEChERS (quick, easy, cheap, effective, rugged, and safe) extracts. The method was applied to simultaneous analysis of 42 diverse pesticides and 17 environmental contaminants, including polycyclic aromatic hydrocarbons, polychlorinated biphenyls (PCBs), and flame retardants, in shrimp as the sample matrix. Final extracts were analyzed by both low-pressure gas chromatography - triple quadrupole tandem mass spectrometry (LPGC-MS/MS), and high-performance liquid chromatography - triple quadrupole tandem mass spectrometry (HPLC-MS/MS) to provide a wide scope of analysis for targeted analytes. During method development, several different commercial sorbents for d-SPE were investigated and compared with respect to analyte recoveries. The method was validated at 10, 50, and 100ngg(-1) spiking levels (10-fold lower for PCBs), and the results for nearly all analytes were between 70 and 115% recoveries with ≤17% relative standard deviations. The method was shown to be simple, fast, and effective for multi-application analysis of chemical residues in the representative food and environmental marker matrix.
    Analytica chimica acta 05/2014; 827:40-6.
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    ABSTRACT: There is an increasing need to develop biosensors for the detection of harmful pesticide residues in food and water. Here, we report on a versatile strategy to synthesize functionalized graphene oxide nanomaterials with abundant affinity groups that can capture histidine (His)-tagged acetylcholinesterase (AChE) for the fabrication of paraoxon biosensors. Initially, exfoliated graphene oxide (GO) was functionalized by a diazonium reaction to introduce abundant carboxyl groups. Then, Nα,Nα-bis(carboxymethyl)-l-lysine hydrate (NTA-NH2) and Ni(2+) were anchored onto the GO based materials step by step. AChE was immobilized on the functionalized graphene oxide (FGO) through the specific binding between Ni-NTA and His-tag. A low anodic oxidation potential was observed due to an enhanced electrocatalytic activity and a large surface area brought about by the use of FGO. Furthermore, a sensitivity of 2.23μAmM(-1) to the acetylthiocholine chloride (ATChCl) substrate was found for our composite covered electrodes. The electrodes also showed a wide linear response range from 10μM to 1mM (R(2)=0.996), with an estimated detection limit of 3μM based on an S/N=3. The stable chelation between Ni-NTA and His-tagged AChE endowed our electrodes with great short-term and long-term stability. In addition, a linear correlation was found between paraoxon concentration and the inhibition response of the electrodes to paraoxon, with a detection limit of 6.5×10(-10)M. This versatile strategy provides a platform to fabricate graphene oxide based nanomaterials for biosensor applications.
    Analytica chimica acta 05/2014; 827:86-94.
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    ABSTRACT: Effective bacteria detection and quantification are essential prerequisite for the prevention and treatment of infectious diseases. Herein, we report a method for the detection and quantification of Escherichia coli (E. coli).N-Methylimidazolium modified magnetic particles (MIm-MPs) are synthesized successfully and used as an efficient magnetic material for the isolation and concentration of E. coli. The factors including pH of binding buffer, concentration of elution buffer and elution time which may affect the capture and elution efficiencies are optimized. The linear correlation between bacteria concentration and peak area of polymerase chain reaction (PCR) product analyzed by capillary electrophoresis (CE) is determined. Rapid preconcentration of trace amount of E. coli (10(1)cfumL(-1)) in large volume of aqueous sample (500mL) is achieved, and the capture efficiency can reach 99%. The quantification of bacteria in large volume of spiked tap water and mineral water samples is realized. The recoveries for different concentrations of E. coli in tap and mineral water samples are in the range between 83% and 93%. The results demonstrate that this MIm-MPs-PCR-CE method can be applied to detect and quantify bacteria in real samples.
    Analytica chimica acta 05/2014; 827:47-53.
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    ABSTRACT: We have developed an analytical method to detect adenosine-5'-triphosphate (ATP) and alkaline phosphatase (ALP) based on the generation of CdS quantum dots (QDs). We demonstrated that Cd(2+) cation reacts with S(2-) anion to generate fluorescent CdS QDs in the presence of some certain amount of ATP. With increase in the ATP concentration, the fluorescence intensity of CdS QDs was also enhanced. ATP can be converted into adenosine by the dephosphorylation of ALP, so that the generation of CdS QDs would be inhibited in the presence of ALP. Therefore, this novel analysis system could be applied to assay ATP and ALP based on the growth of fluorescent CdS QDs.
    Analytica chimica acta 05/2014; 827:103-10.
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    ABSTRACT: The discovery and development of photoelectrochemical sensors with novel principles are of great significance to realize sensitive and low-cost detection. In this paper, a new photoelectrochemial sensor based on the in situ formation of p-n junction was designed and used for the accurate determination of mercury(II) ions. Cysteine-capped ZnS quantum dots (QDs) was assembled on the surface of indium tin oxide (ITO) electrode based on the electrostatic interaction between Poly(diallyldimethylammonium chloride) (PDDA) and Cys-capped ZnS QDs. The in situ formation of HgS, a p-type semiconductor, on the surface of ZnS facilitated the charge carrier transport and promoted electron-hole separation, triggered an obviously enhanced anodic photocurrent of Cys-capped ZnS QDs. The formation of p-n junction was confirmed by P-N conductive type discriminator measurements and current-voltage (I-V) curves. The photoelectrochemical method was used for the sensing of trace mercuric (II) ions with a linear concentration of 0.01 to 10.0µM and a detection limit of 4.6×10(-9)mol/L. It is expected that the present study can serve as a foundation to the application of p-n heterojunction to photoelectrochemical sensors and it might be easily extended to more exciting sensing systems by photoelectrochemistry.
    Analytica chimica acta 05/2014; 827:34-9.
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    ABSTRACT: The development of a solid-contact potentiometric sensor based on conducting rubbers using a carbon nanotubes ink is described here. Commercial rubbers are turned into conductive ones by a simple and versatile method, i.e. painting an aqueous dispersion of single-walled carbon nanotubes on the polymer surface. On this substrate, both the working ion-selective electrode and the reference electrode are built in order to form an integrated potentiometric cell. As a proof-of-principle, selective potassium electrodes are fully characterized giving comparable performances to conventional electrodes (sensitivity, selectivity, stability, linear range, limit of detection and reproducibility). As an application of the rubber-based electrodes, a bracelet was constructed to measure potassium levels in artificial sweat. Since rubbers are ubiquitous in our quotidian life, this approach offers great promise for the generation of chemical information through daily objects.
    Analytica chimica acta 05/2014; 827:95-102.
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    ABSTRACT: In this report we described a highly selective and sensitive iodate sensor. Due to its interaction with fluorescent gold nanoclusters, iodate was capable of oxidizing and etching gold core of the nanoclusters, resulting in fluorescence quenching. Furthermore, it was found that extra iodide ion could enhance this etching process, and even a small amount of iodate could lead to significant quenching. Under an optimized condition, linear relationship between the iodate concentration and the fluorescence quenching was obtained in the range 10nM-1μM. The developed iodate sensor was found selective and capable of detecting iodate as low as 2.8nM. The sensor was then applied for the analysis of iodate in real sample and satisfactory recoveries were obtained.
    Analytica chimica acta 05/2014; 827:80-5.
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    ABSTRACT: Polybrominated diphenyl ethers (PBDEs) are flame retardants, which due to their widespread use are frequently present as pollutants in the environment. In the EU Water Framework Directive (WFD) six PBDE congeners (BDE 28, BDE47, BDE 99, BDE 100, BDE 153 and BDE 154) are listed as priority substances. The uncertainty of the analytical method used for their determination in water samples at environmental quality standard (EQS) level (0.5ngL(-1) for the ΣPBDEs) should be equal or less than 50% and the limit of quantification (LOQ) for ΣPBDEs below 0.15ngL(-1). To meet these requirements, an analytical procedure for the determination of these six PBDEs in environmental water samples by gas chromatography-inductively coupled plasma mass spectrometry (GC-ICP-MS) was developed. The acidification of water samples to pH 2 maintained the stability of PBDEs for at least 20 days. The use of Tris-citrate buffer enabled efficient desorption of PBDEs from suspended particulate matter (SPM) and humic acids (HA), and their further quantitative solvent extraction into 2mL of iso-octane. When 300mL of water sample was used for analysis and the organic phase concentrated to 25μL, the expanded uncertainty for determination of PBDEs at EQS level was found to be around 40% (a coverage factor for a confidence level of 95%, k=2), and the LOQ for the ΣPBDEs 0.109ngL(-1). Finally, to demonstrate the applicability of the newly developed GC-ICP-MS procedure, PBDEs were determined in river and sea water samples.
    Analytica chimica acta 05/2014; 827:64-73.
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    ABSTRACT: A novel protein sample pretreatment method based on ampholine immobilized polymer microsphere (ampholine@PM) was developed for the fractionation of intact proteins prior to protein digestion and peptide analysis to reduce the dynamic range of human plasma proteome. After incubation with our prepared ampholine@PM, the captured plasma proteins were successively desorbed by 2M NaCl, 100mM glycine-hydrochloric acid, and 30% (v/v) acetonitrile with 0.1% (v/v) trifluoroacetic acid. The SDS-PAGE results showed the protein dynamic range in such three fractions was obviously reduced as compared with the native plasma. On-particle digestion was ultimately performed to release all proteins retained on ampholine@PM. Followed by MuPIT analysis, the number of identified proteins in plasma was improved by 75% after ampholine@PM treatment. Furthermore, the spectral count of 9 high abundance proteins was decreased by 37.6-97.2%, and the identified low abundance protein (<100ngmL(-1)) number was increased from 4 to 17. These results demonstrated that the fractionation by ampholine@PM could efficiently decrease the protein dynamic range in abundance, beneficial to achieve the deep coverage identification of human plasma proteome.
    Analytica chimica acta 05/2014; 826:43-50.
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    ABSTRACT: High-throughput and rapid identification of multiple foodborne bacterial pathogens is vital in global public health and food industry. To fulfill this need, we propose a segmented continuous-flow multiplex polymerase chain reaction (SCF-MPCR) on a spiral-channel microfluidic device. The device consists of a disposable polytetrafluoroethylene (PTFE) capillary microchannel coiled on three isothermal blocks. Within the channel, n segmented flow regimes are sequentially generated, and m-plex PCR is individually performed in each regime when each mixture is driven to pass three temperature zones, thus providing a rapid analysis throughput of m×n. To characterize the performance of the microfluidic device, continuous-flow multiplex PCR in a single segmented flow has been evaluated by investigating the effect of key reaction parameters, including annealing temperatures, flow rates, polymerase concentration and amount of input DNA. With the optimized parameters, the genomic DNAs from Salmonella enterica, Listeria monocytogenes, Escherichia coli O157:H7 and Staphylococcus aureus could be amplified simultaneously in 19min, and the limit of detection was low, down to 10(2) copiesμL(-1). As proof of principle, the spiral-channel SCF-MPCR was applied to sequentially amplify four different bacterial pathogens from banana, milk, and sausage, displaying a throughput of 4×3 with no detectable cross-contamination.
    Analytica chimica acta 05/2014; 826:51-60.
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    ABSTRACT: A new highly advanced analytical approach, based on two-dimensional column coupled CE (ITP-CZE) hyphenated with tandem mass spectrometry (MS/MS, here triple quadrupole, QqQ) was developed, evaluated and applied in biomedical field in the present work. Capillary isotachophoresis (ITP) coupled on-line with capillary zone electrophoresis (CZE) used in hydrodynamically closed separation system was favorable for increasing the sample load capacity, increasing the analyte concentration, and removing the deteriorative highly conductive major matrix constituents. These factors considerably reduced the concentration limits of detection (cLOD) and external sample preparation (comparing to single column CZE), and, by that, provided favorable conditions for the mass spectrometry (enhanced signal to noise ratio, reproducibility of measurements, working life of MS). Here, the CZE-ESI combination provided more effective interfacing than ITP-ESI resulting in both a higher obtainable intensity of MS detection signal of the analyte as well as reproducibility of measurements of the analyte's peak area. The optimized ITP-CZE-ESI-QqQ method was successfully evaluated as for its performance parameters (LOD, LOQ, linearity, precision, recovery/accuracy) and applied for the direct identification and ultratrace (pgmL(-1)) determination of varenicline and, in addition, identification of its targeted metabolite, 2-hydroxy-varenicline, in unpretreated/diluted human urine. This application example demonstrated the real analytical potential of this new analytical approach and, at the same time, served as currently the most effective routine clinical method for varenicline.
    Analytica chimica acta 05/2014; 826:84-93.
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    ABSTRACT: In-tube solid-phase microextraction (in-tube SPME) coupled with high performance liquid chromatography (HPLC) or liquid chromatography coupled to mass spectrometry (LC-MS) successfully determines drugs or biomarkers in biological samples by direct sample injection or by simple sample treatment. This technique uses a capillary column as extraction device. Several capillaries (wall-coated open tubular, sorbent-packed, porous monolithic rods, or fiber-packed) with unique phases have been developed and evaluated, aiming to improve the efficiency and selectivity of the in-tube SPME-LC technique. This review describes new developments and applications occurred in recent years, and discusses future trends with emphasis on new extraction devices and current technology used for the synthesis of selective sorbents for bioanalysis, such as (i) polypyrrole, (ii) restricted-access materials, (iii) immunosorbents, (iv) molecular imprinting polymers, (v) monolithic polymers, and (vi) bi-functional materials.
    Analytica chimica acta 05/2014; 826C:1-11.
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    ABSTRACT: This work describes the modification of an InGaAs diode array detector equipped miniaturized near-infrared (NIR) spectrometer enabling the reliable quantification of ethanol blended gasoline. A transflectance measurement cell is presented, utilizing a thermoelectric cooling (TEC) appliance ensuring thermostatic measurement conditions and a gold-coated spherical mirror as a reflector superior to conventional Spectralon(®). In total, four measurement modes (Spectralon(®) reflector, gold reflector and either reflectors with employed TEC) are discussed, enabling a straightforward comparison of the results. The test-set validated multivariate partial least squares regression (PLSR) model of the measurement mode involving both gold mirror and TEC yielded an Rval(2) value of 0.997, a limit of detection (LOD) of 0.68% w/w, a limit of quantification (LOQ) of 2.04% w/w, a standard error of prediction (SEP) of 0.21% w/w and a ratio performance deviation (RPD) of 15.2 while utilizing a single latent variable (LV). The NIR band assignment in this work has been established by employing the vibrational self-consistent field second order perturbative treatment (PT2-VSCF) and the computationally derived absorption maxima are compared to the experimentally observed data.
    Analytica chimica acta 05/2014; 826:61-8.