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A novel multi‐mode data processing method and its application in industrial process monitoring

Published: Oct 30, 2014

Author(s): Guozhu Wang, Jianchang Liu, Yingwei Zhang, Yuan Li

Journal: Journal of Chemometrics

Multi‐mode process monitoring is a key issue often raised in industrial process control. Most multivariate statistical process monitoring strategies, such as principal component analysis (PCA) and partial least squares, make an essential assumption that the collected data follow a unimodal or Gaussian distribution. However, owing to the complexity and the multi‐mode feature of industrial processes, the collected data usually follow...

Read More thumbnail image: A novel multimode data processing method and its application in industrial processmonitoring

Shrunken centroids regularized discriminant analysis as a promising strategy for metabolomics data exploration

Published: Oct 30, 2014

Author(s): Chen Chen, Zhi‐Min Zhang, Mei‐Lan Ouyang, Xinbo Liu, Lunzhao Yi, Yi‐Zeng Liang, Chao‐Ping Zhang

Journal: Journal of Chemometrics

Metabolomics datasets generated by modern analytical instruments tend to be increasingly complex. In this study, a recent method named shrunken centroids regularized discriminant analysis (SCRDA) has been introduced and applied in the exploration of metabolomics dataset. It is a supervised method for variable selection, discriminant analysis and biomarker screening. By regularizing the estimate of the within‐class covariance matrix, SCRDA...

Read More thumbnail image: Shrunken centroids regularized discriminant analysis as a promising strategy for metabolomics data exploration

Combined derivatization and high‐performance liquid chromatography with fluorescence and ultraviolet detection for simultaneous analysis of octreotide and gabexate mesylate metabolite in human pancreatic juice samples

Published: Oct 30, 2014

Author(s): Giuseppe Carlucci, Federico Selvaggi, Sara Sulpizio, Claudio Bassi, Maura Carlucci, Roberto Cotellese, Vincenzo Ferrone, Paolo Innocenti, Marcello Locatelli

Journal: Biomedical Chromatography

ABSTRACT A simple and sensitive method based on the combination of derivatization and high‐performance liquid chromatography with ultraviolet and fluorimetric detection was developed for the simultaneous determination of octreotide and gabexate mesylate metabolite in human pancreatic juice samples. Parameters of the derivatization procedure affecting extraction efficiency were optimized. The developed method was validated according...

Read More thumbnail image: Combined derivatization and highperformance liquid chromatography with fluorescence and ultraviolet detection for simultaneous analysis of octreotide and gabexate mesylate metabolite in human pancreatic juice samples

Qualitative and quantitative analysis of the major constituents in Acorus tatarinowii Schott by HPLC/ESI‐QTOF‐MS/MS

Published: Oct 30, 2014

Author(s): Feng Zhang, Peng Qi, Rui Xue, Zhixiong Li, Kaicheng Zhu, Ping Wan, Chenggang Huang

Journal: Biomedical Chromatography

ABSTRACT Acorus tatarinowii Schott (ATS) is a well‐known traditional Chinese medicine (TCM) for the treatment of epilepsy, amnesia and insomnia. In this study, a methodology utilizing high‐performance liquid chromatography (HPLC) coupled with electrospray ionization quadrupole time‐of‐flight mass spectrometry (ESI‐QTOF‐MS/MS) was established for the separation and structural identification of the major chemical constituents in ATS...

Read More thumbnail image: Qualitative and quantitative analysis of the major constituents in Acorus tatarinowii Schott by HPLCESIQTOFMSMS

Selective extraction based on poly(MAA‐VB‐EGMDA) monolith followed by HPLC for determination of hordenine in plasma and urine samples

Published: Oct 30, 2014

Author(s): Yonggang Chen, Junhua Meng, Jili Zou, Jing An

Journal: Biomedical Chromatography

ABSTRACT Hordenine is an active compound found in several foods, herbs and beer. In this work, a novel sorbent was fabricated for selective solid‐phase extraction (SPE) of hordenine in biological samples. The organic polymer sorbent was synthesized in one step in the plastic barrel of a syringe by a pre‐polymerization solution consisting of methacrylic acid (MAA), 4‐vinylphenylboronic acid (VB) and ethylene glycol dimethacrylate...

Read More thumbnail image: Selective extraction based on polyMAAVBEGMDA monolith followed by HPLC for determination of hordenine in plasma and urine samples

Single‐run HPLC/ESI‐LITMS profiling of ginsenosides in plant extracts and ginseng based products

Published: Oct 30, 2014

Author(s): Stavrianidi Andrey, Rodin Igor, Arkady Braun, Stekolshchikova Elena, Shpigun Oleg

Journal: Biomedical Chromatography

ABSTRACT A rapid single‐run analytical approach suitable to achieve a comprehensive characterization of ginsenosides – the main bioactive compounds present in plant materials from Panax species and ginseng‐based products – was developed. The method is based on high‐performance liquid chromatography coupled with electrospray positive ionization linear ion trap mass spectrometry (HPLC/ESI‐LITMS). The main ions in the ESI‐LITMS spectra ...

Read More thumbnail image: Singlerun HPLCESILITMS profiling of ginsenosides in plant extracts and ginseng based products

Quantification of malondialdehyde by HPLC‐FL – application to various biological samples

Published: Oct 30, 2014

Author(s): Ana‐Marija Domijan, Jovica Ralić, Sandra Radić Brkanac, Lada Rumora, Tihana Žanić‐Grubišić

Journal: Biomedical Chromatography

ABSTRACT Malondialdehyde (MDA) is stabile product of lipid peroxidation (LPO), and therefore MDA is frequently used as a biomarker of LPO. To determine MDA level in various biological samples (human plasma, fish liver tissue and cells in culture), we used an HPLC method with fluorescent detection based on 2‐thiobarbituric acid (TBA) assay. The method was validated by the use of spiked pooled plasma samples. In tested concentration...

Read More thumbnail image: Quantification of malondialdehyde by HPLCFL  application to various biological samples

Stereo‐specific LC and LC‐MS bioassays of antidepressants and psychotics

Published: Oct 30, 2014

Author(s): R. Nageswara Rao, K. Guru Prasad

Journal: Biomedical Chromatography

ABSTRACT Stereochemistry in drug action is gaining importance because the enantiomers often differ in their biological activity and pharmacokinetic profiles. The use of racemic drugs may contribute to adverse effects owing to the presence of either inactive or toxic enantiomers. Most of the drugs currently used to treat psychiatric disorders, including depression, contain one or more chiral centers and are mostly sold as racemates....

Read More thumbnail image: Stereospecific LC and LCMS bioassays of antidepressants and psychotics

N,N‐dimethyl‐2‐phenylpropan‐1‐amine – new designer agent found in athlete urine and nutritional supplement

Published: Oct 29, 2014

Author(s): Dorota Kwiatkowska, Marzena Wójtowicz, Anna Jarek, Catrin Goebel, Katarzyna Chajewska, Ewa Turek‐Lepa, Andrzej Pokrywka, Rymantas Kazlauskas

Journal: Drug Testing and Analysis

Reports of new designer agents banned in sport being detected in supplements widely available for athletes are constantly emerging. The task of anti‐doping laboratories is to control athletes for the presence of substances listed by the World Anti‐Doping Agency (WADA) and those that are structurally/biologically similar to them. Recently, a new designer stimulant, N,N‐dimethyl‐2‐phenylpropan‐1‐amine (NN‐DMPPA), was detected by the WADA...

Read More thumbnail image: NNdimethyl2phenylpropan1amine  new designer agent found in athlete urine and nutritional supplement

Anti‐Stokes Raman spectroscopy as a method to identify the metallic and semiconducting configurations of double‐walled carbon nanotubes

Published: Oct 28, 2014

Author(s): Mihaela Baibarac, Ioan Baltog, Adelina Matea, Lucian Mihut, Serge Lefrant

Journal: Journal of Raman Spectroscopy

Although Raman spectra reveal, as a signature of double‐walled carbon nanotubes (DWCNTs), two radial breathing mode (RBM) lines associated with the inner and outer tubes, the specification of their nature as metallic or semiconducting remains a topic for debate. Investigating the spectral range of the RBM lines, we present a new procedure of the indexing of the semiconducting or metallic nature of the inner and outer shell that forms the...

Read More thumbnail image: AntiStokes Raman spectroscopy as a method to identify the metallic and semiconducting configurations of doublewalled carbon nanotubes

Proteomics and glycoproteomics of pluripotent stem‐cell surface proteins

Published: Oct 28, 2014

Author(s): Bingyun Sun

Journal: PROTEOMICS

Pluripotent stem cells are a unique cell type with promising potential in regenerative and personalized medicine. Yet the difficulty to understand and coax their seemingly stochastic differentiation and spontaneous self‐renewal have largely limited their clinical applications. A call has been made by numerous researchers for a better characterization of surface proteins on these cells, in search of biomarkers that can dictate...

Read More thumbnail image: Proteomics and glycoproteomics of pluripotent stemcell surface proteins

SUMO proteomics to decipher the SUMO‐modified proteome regulated by various diseases

Published: Oct 28, 2014

Author(s): Wei Yang, Wulf Paschen

Journal: PROTEOMICS

Small ubiquitin‐like modifier (SUMO1–3) conjugation is a posttranslational protein modification whereby SUMOs are conjugated to lysine residues of target proteins. SUMO conjugation can alter the activity, stability, and function of target proteins, and thereby modulate almost all major cellular pathways. Many diseases are associated with SUMO conjugation, including heart failure, arthritis, cancer, degenerative diseases, and brain...

Read More thumbnail image: SUMO proteomics to decipher the SUMOmodified proteome regulated by various diseases

Effects of inversion time on inversion recovery prepared ultrashort echo time (IR‐UTE) imaging of bound and pore water in cortical bone

Published: Oct 28, 2014

Author(s): Shihong Li, Lanqing Ma, Eric Y. Chang, Hongda Shao, Jun Chen, Christine B. Chung, Graeme M. Bydder, Jiang Du

Journal: NMR in Biomedicine

Water is present in cortical bone in different binding states. In this study we aimed to investigate the effects of inversion time (TI) on the signal from bound and pore water in cortical bone using an adiabatic inversion recovery prepared ultrashort echo time (IR‐UTE) sequence on a clinical 3 T scanner. In total ten bovine midshaft samples and four human tibial midshaft samples were harvested for this study. Each cortical sample was...

Read More thumbnail image: Effects of inversion time on inversion recovery prepared ultrashort echo time IRUTE imaging of bound and pore water in cortical bone

The interaction of iron and metal‐free meso‐tetra (4‐sulfonatophenyl) porphines with CVD graphene: a comparative Raman spectroscopy study

Published: Oct 28, 2014

Author(s): Denys Naumenko, Iuliia Naumenko, Nora Grinceviciute, Valentinas Snitka

Journal: Journal of Raman Spectroscopy

In this work, a non‐covalent interaction of iron and metal‐free meso‐tetra (4‐sulfonatophenyl) porphines (FeTPPS and TPPS, respectively) with high‐quality single‐layer graphene is studied by Raman spectroscopy. Such a kind of graphene functionalization is promising for a development of novel optoelectronic devices and sensors. Our results show that the central metal atom of porphyrin macrocycle, iron particularly, plays an important role...

Read More thumbnail image: The interaction of iron and metalfree mesotetra 4sulfonatophenyl porphines with CVD graphene a comparative Raman spectroscopy study

Automatic standardization method for Raman spectrometers with applications to pharmaceuticals

Published: Oct 28, 2014

Author(s): Hui Chen, Zhi‐Min Zhang, Li Miao, De‐Jian Zhan, Yi‐Bao Zheng, Yan Liu, Feng Lu, Yi‐Zeng Liang

Journal: Journal of Raman Spectroscopy

An effective and practical method, based on automatic peak detection, Lorentzian fitting, and polynomial fitting, is developed for aligning spectra, which can significantly reduce or eliminate systematic differences between Raman spectrometers. In this work, Lorentzian fitting of the experimental spectra is performed to precisely locate the peak positions. Then the standardization procedure is illustrated on the spectra of a chemical...

Read More thumbnail image: Automatic standardization method for Raman spectrometers with applications to pharmaceuticals

Preparation and characterization of natural zeolite supported nano TiO 2 photocatalysts by a modified electrostatic self‐assembly method

Published: Oct 27, 2014

Author(s): Cheng Wang, Yan Li, Huisheng Shi, Jianfeng Huang

Journal: Surface and Interface Analysis

Natural zeolite supported nano TiO2 photocatalysts were prepared by a modified electrostatic self‐assembly (ESA) method. First, γ‐mercaptopropyltrimethoxysilane with sulfhydryl (―SH) functional groups was modified on the zeolite powders by using a ‘dry process’. Second, silane with ―SH functional groups was oxidized to sulfonate (―SO3H) groups by using a hydrogen peroxide/glacial acetic acid mixed solution, and the surface of ―SO3H silane–zeolite was...

Read More thumbnail image: Preparation and characterization of natural zeolite supported nano TiO 2 photocatalysts by a modified electrostatic selfassembly method

Analysis of liposome model systems by time‐of‐flight secondary ion mass spectrometry

Published: Oct 27, 2014

Author(s): Jelena Lovrić, Jacqueline D. Keighron, Tina B. Angerer, Xianchan Li, Per Malmberg, John S. Fletcher, Andrew G. Ewing

Journal: Surface and Interface Analysis

Time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS) is an important technique for studying chemical composition of micrometer scale objects because of its high spatial resolution imaging capabilities and chemical specificity. In this work, we focus on the application of ToF‐SIMS to gain insight into the chemistry of micrometer size liposomes as a potential model for neurotransmitter vesicles. Two models of giant liposomes were...

Read More thumbnail image: Analysis of liposome model systems by timeofflight secondary ion mass spectrometry

Surface modification of titanium with thermally treated polydimethylsiloxane coating and the effect on resin to titanium adhesion

Published: Oct 27, 2014

Author(s): Christie Y. K. Lung, Markku Heinonen, Edwin Kukk, Jukka P. Matinlinna

Journal: Surface and Interface Analysis

In this study, titanium surface modification by a thermal treatment using a polydimethylsiloxane (PDMS) coating was investigated. The surfaces of four titanium samples were surface treated by polishing, sandblasting, and coating with a PDMS with a thermal treatment at 800 and 1100 °C. The titanium surfaces were characterized by X‐ray photoelectron spectroscopy (XPS) and atomic force microscopy. The effect of the surface treatments on...

Read More thumbnail image: Surface modification of titanium with thermally treated polydimethylsiloxane coating and the effect on resin to titanium adhesion

Effect of magnesium and titanium on the cathodic behaviour of aluminium in nitric acid

Published: Oct 27, 2014

Author(s): F. J. Garcia‐Garcia, T. Y. Chiu, P. Skeldon, G. E. Thompson

Journal: Surface and Interface Analysis

Cathodic polarization of aluminium and Al–0.18 wt.% Mg and Al–0.08 wt.% Ti alloys in 0.24 mol dm−3 nitric acid solution at 38 °C has been employed to assist understanding of the roles of alloying elements in electrograining. The findings indicate that additions of magnesium and titanium to aluminium accelerate the corrosion of the substrate under the alkalization caused by the cathodic reactions. The accelerated dissolution and the consequent...

Read More thumbnail image: Effect of magnesium and titanium on the cathodic behaviour of aluminium in nitric acid

Changes in the characteristics of acid‐treated clay after the inclusion of proteins

Published: Oct 27, 2014

Author(s): G. Rangel‐Porras, P. Rangel‐Rivera, H. Pfeiffer‐Perea, P. Gonzalez‐Muñoz

Journal: Surface and Interface Analysis

The aim of this work is to study the difference in the characteristics of commercial clay after the inclusion of two proteins. Bovine serum albumin and egg white lysozyme were immobilized on the structure of commercial montmorillonite, which was previously treated with a hydrochloric acid solution. Studies were carried out at two different concentrations, fixing the pH to ensure the charge of biomolecules and clay surface. Acid‐treated...

Read More thumbnail image: Changes in the characteristics of acidtreated clay after the inclusion of proteins
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