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Model validation in dynamic systems for time‐course data with complex error structures

Published: Dec 13, 2018

Author(s): Yoonji Kim, Jaejik Kim

Journal: Journal of Chemometrics

Abstract Dynamic systems with ordinary differential equations have been widely used to describe dynamic processes in various fields such as chemistry, biology, and physics. The dynamic systems are usually constructed using time‐course data measured from experiments at discrete time points. Such experimental time‐course data typically have complex error structures while the dynamic systems are mathematical and deterministic models...

Read More thumbnail image: Model validation in dynamic systems for timecourse data with complex error structures

Theoretical and experimental research on self‐assembly system of molecularly imprinted polymers formed via chloramphenicol and methacrylic acid

Published: Dec 12, 2018

Author(s): Jun‐Bo Liu, Guang‐Yu Wang, Shan‐Shan Tang, Qian Gao, Da‐Dong Liang, Rui‐Fa Jin

Journal: Journal of Separation Science

Abstract Chloramphenicol was chosen as the imprinting molecule and the methacrylic acid was chosen as the functional monomer to prepare molecularly imprinted polymers. Ethylene glycol dimethacrylate, pentaerythritol triacrylate, and trimethylolpropane trimethylacrylate were used as the cross‐linking agents, respectively. The interaction processes between chloramphenicol and methacrylic acid were simulated by using the ωB97XD/6‐31G...

Read More thumbnail image: Theoretical and experimental research on selfassembly system of molecularly imprinted polymers formed via chloramphenicol and methacrylic acid

Air‐assisted liquid–liquid extraction coupled with dispersive liquid–liquid microextraction and a drying step for extraction and preconcentration of some phthalate esters from edible oils prior to their determination by GC

Published: Dec 12, 2018

Author(s): Leila Khoshmaram, Hossein Abdolmohammad‐Zadeh, Elham Ghaffarzadeh

Journal: Journal of Separation Science

Abstract In this work, a new, cheap, simple, fast, and low organic solvent consuming procedure is proposed for isolation, enrichment, and gas chromatographic determination of some phthalate esters in edible oils. The method is based on a combination of air‐assisted liquid–liquid extraction and dispersive liquid–liquid microextraction followed by a drying step under N2 gas. Several experimental parameters affecting both extraction and...

Read More thumbnail image: Airassisted liquidliquid extraction coupled with dispersive liquidliquid microextraction and a drying step for extraction and preconcentration of some phthalate esters from edible oils prior to their determination by GC

Bioanalytical technique for determination of tasimelteon in human plasma by LC–MS/MS and its application to pharmacokinetic study in humans

Published: Dec 12, 2018

Author(s): Siva Sankara Rao Yadlapalli, Vijaya Kumari Karra, Vinutha Kommineni, Naresh Kumar Katari, Surendra Babu Manabolu Surya

Journal: Biomedical Chromatography

Abstract A highly sensitive, specific and rapid liquid chromatography–tandem mass spectrometry technique for the quantification of tasimelteon in human plasma has been developed and validated using tasimelteon‐d5 as internal standard. Liquid–liquid extraction technique with ethyl acetate was used for extraction of tasimelteon from the plasma. The chromatographic separation was achieved on an Agilent Zorbax, Eclipse, C18 (4.6 × 50 mm, 5 μm)...

Read More thumbnail image: Bioanalytical technique for determination of tasimelteon in human plasma by LCMSMS and its application to pharmacokinetic study in humans

Simple determination of plasma ibrutinib concentration using high‐performance liquid chromatography

Published: Dec 11, 2018

Author(s): Takeo Yasu, Kenji Momo, Hiroshi Yasui, Seiichirou Kuroda

Journal: Biomedical Chromatography

Abstract Ibrutinib is an oral inhibitor of Bruton tyrosine kinase, which is one of the key drugs used for the treatment of chronic lymphocytic leukemia and mantle cell lymphoma. In this study, we aimed to develop a simple method for determining plasma ibrutinib concentration. The analysis required extraction of a 200 μL plasma sample and precipitation of proteins using solid‐phase extraction. Ibrutinib and nilotinib, which was used...

Read More thumbnail image: Simple determination of plasma ibrutinib concentration using highperformance liquid chromatography

Dissipation behavior of chlorpyrifos residues and risk assessment in sugarcane fields

Published: Dec 11, 2018

Author(s): Haiping Wang, Liguo Zheng, Wanting Yu, Xiaomin Cao, Renbin Yang

Journal: Biomedical Chromatography

Abstract As chlorpyrifos is used globally to control pests in sugarcane fields, analysis of its residues on food crops is essential to assess product safety for humans. In this study, chlorpyrifos content in sugarcane plants, soil and juice was determined using a gas chromatography with an electron capture detector. The limit of quantification was 0.01 mg/kg for plant and soil, and 0.01 mg/L for juice. The degradation and residual...

Read More thumbnail image: Dissipation behavior of chlorpyrifos residues and risk assessment in sugarcane fields

Enantioselective LC‐ESI‐MS/MS determination of dropropizine enantiomers in rat plasma and application to a pharmacokinetic study

Published: Dec 11, 2018

Author(s): Narayanan Balaji, Bhavesh Babulal Gabani, Umesh Todmal, Suresh P. Sulochana, Neeraj Kumar Saini, Rajesh Chandran, Ramesh Mullangi

Journal: Biomedical Chromatography

Abstract We developed and validated a simple, sensitive, selective and reliable LC–ESI‐MS/MS method for direct quantitation of dropropizine enantiomers namely levodropropizine (LDP) and dextrodropropizine (DDP) in rat plasma without the need for derivatization as per regulatory guidelines. Dropropizine enantiomers and carbamazepine (internal standard) were extracted from 50 μL rat plasma using ethyl acetate. LDP and DDP resolved...

Read More thumbnail image: Enantioselective LCESIMSMS determination of dropropizine enantiomers in rat plasma and application to a pharmacokinetic study

Rapid determination of nosiheptide in feed based on dispersive SPE coupled with HPLC

Published: Dec 11, 2018

Author(s): Jingmeng Xie, Xuqin Song, Yingxia Zhang, Meiyu Zhang, Xuezhi Li, Limin He

Journal: Journal of Separation Science

Abstract A novel, simple, and reliable method based on high‐performance liquid chromatography coupled with fluorescence detection has been developed for the determination of nosiheptide in feed. The feed samples were extracted with acetonitrile 0.1% formic acid aqueous solution and then purified via a dispersive solid‐phase extraction procedure using silica gel powder as the sorbent. Using a mixture of acetonitrile and 5 mM...

Read More thumbnail image: Rapid determination of nosiheptide in feed based on dispersive SPE coupled with HPLC

Comprehensive two‐dimensional monolithic liquid chromatography of polar compounds

Published: Dec 11, 2018

Author(s): Pavel Jandera, Tomáš Hájek, Zuzana Šromová

Journal: Journal of Separation Science

Abstract Two‐dimensional liquid chromatography largely increases the number of separated compounds in a single run, theoretically up to the product of the peaks separated in each dimension on the columns with different selectivities. On‐line coupling of a reversed‐phase column with an aqueous normal‐phase (hydrophilic interaction liquid chromatography) column yields orthogonal systems with high peak capacities. Fast on‐line...

Read More thumbnail image: Comprehensive twodimensional monolithic liquid chromatography of polar compounds

Use of a recently developed thermal modulator within the context of comprehensive two‐dimensional gas chromatography combined with time‐of‐flight mass spectrometry: Gas flow optimization aspects

Published: Dec 11, 2018

Author(s): Mariosimone Zoccali, Barbara Giocastro, Peter Q. Tranchida, Luigi Mondello

Journal: Journal of Separation Science

Abstract The present research is based on the use of a recently developed comprehensive two‐dimensional gas chromatography thermal modulator, which is defined as solid‐state modulator. The transfer device was installed on top of a single gas chromatography oven, while benchtop low‐resolution time‐of‐flight mass spectrometry was used to monitor the compounds exiting the second analytical column. The solid‐state modulator was first...

Read More thumbnail image: Use of a recently developed thermal modulator within the context of comprehensive twodimensional gas chromatography combined with timeofflight mass spectrometry Gas flow optimization aspects

Recent advances in mixed‐mode chromatographic stationary phases

Published: Dec 11, 2018

Author(s): David Sýkora, Pavel Řezanka, Kamil Záruba, Vladimír Král

Journal: Journal of Separation Science

Abstract Mixed‐mode phases have become very popular in the last decade, and the number of new mixed/multi‐mode sorbents is growing fast. Unlike single‐mode stationary phases, perfectly suited for the separation of the analytes possessing similar physicochemical properties, for instance reversed‐phase chromatography for hydrophobic solutes, mixed‐mode sorbents providing multimodal interactions can render better separation selectivity...

Read More thumbnail image: Recent advances in mixedmode chromatographic stationary phases

An effective method based on medium‐pressure liquid chromatography and recycling high‐speed counter‐current chromatography for enrichment and separation of three minor components with similar polarity from Dracocephalum tanguticum

Published: Dec 11, 2018

Author(s): Xue Yang, Nana Wang, Cheng Shen, Hongmei Li, Jingyang Zhao, Tao Chen, Yulin Li

Journal: Journal of Separation Science

Abstract The separation of minor compounds, especially those with similar polarities from a complex sample, remains challenging. In the proposed study, an effective method based on medium‐pressure liquid chromatography and recycling high‐speed counter‐current chromatography was developed for the enrichment and separation of three minor components from Dracocephalum tanguticum. The crude extract was directly introduced to medium‐pressure liquid...

Read More thumbnail image: An effective method based on mediumpressure liquid chromatography and recycling highspeed countercurrent chromatography for enrichment and separation of three minor components with similar polarity from Dracocephalum tanguticum

Connecting Proteomics to Next‐Generation Sequencing: Proteogenomics and Its Current Applications in Biology

Published: Dec 11, 2018

Author(s): Teck Yew Low, M. Aiman Mohtar, Mia Yang Ang, Rahman Jamal

Journal: PROTEOMICS

Abstract Understanding the relationship between genotypes and phenotypes is essential to disentangle biological mechanisms and to unravel the molecular basis of diseases. Genes and proteins are closely linked in biological systems. However, genomics and proteomics have developed separately into two distinct disciplines whereby crosstalk among scientists from the two domains is limited and this constrains the integration of both...

Read More thumbnail image: Connecting Proteomics to NextGeneration Sequencing Proteogenomics and Its Current Applications in Biology

Aptamer‐modified magnetic metal‐organic framework MIL‐101 for highly efficient and selective enrichment of ochratoxin A

Published: Dec 11, 2018

Author(s): Qianchun Zhang, Yanqun Yang, Yongzhi Zhi, Xingyi Wang, Yun Wu, Yuguo Zheng

Journal: Journal of Separation Science

Abstract A facile and efficient strategy is developed to modify aptamers on the surface of the magnetic metal‐organic framework MIL‐101 for the rapid magnetic solid‐phase extraction of ochratoxin A. To the best of our knowledge, this is the first attempt to create a robust aptamer‐modified magnetic MIL‐101 with covalent bonding for the magnetic separation and enrichment of ochratoxin A. The saturated adsorption of ochratoxin A by...

Read More thumbnail image: Aptamermodified magnetic metalorganic framework MIL101 for highly efficient and selective enrichment of ochratoxin A

A new ionic liquid surface‐imprinted polymer for selective solid‐phase‐extraction and determination of sulfonamides in environmental samples

Published: Dec 11, 2018

Author(s): Guifen Zhu, Guohao Cheng, Li Wang, Wenna Yu, Peiyun Wang, Jing Fan

Journal: Journal of Separation Science

Abstract Toward improving the selective adsorption performance of molecularly imprinted polymers in strong polar solvents, in this work, a new ionic liquid functional monomer, 1‐butyl‐3‐vinylimidazolium bromide, was used to synthesize sulfamethoxazole imprinted polymer in methanol. The resulting molecularly imprinted polymer was characterized by Fourier transform infrared spectra and scanning electron microscopy, and the rebinding...

Read More thumbnail image: A new ionic liquid surfaceimprinted polymer for selective solidphaseextraction and determination of sulfonamides in environmental samples

Development of an economic ultrafast liquid chromatography with tandem mass spectrometry method for trace analysis of multiclass mycotoxins in Polygonum multiflorum

Published: Dec 11, 2018

Author(s): Pinxuan Huang, Qiutao Liu, Jiabo Wang, Zhijie Ma, Jinghua Lu, Weijun Kong

Journal: Journal of Separation Science

Abstract Rapid, economic, and highly effective determination of multiple mycotoxins in complex matrices has given huge challenges for the analytical method. In this study, an economic analytical strategy based on sensitive and rapid ultrafast liquid chromatography coupled to hybrid triple quadrupole/linear ion trap mass spectrometry technique was developed for the determination of seven mycotoxins of different chemical classes...

Read More thumbnail image: Development of an economic ultrafast liquid chromatography with tandem mass spectrometry method for trace analysis of multiclass mycotoxins in Polygonum multiflorum

UFLC‐Derived CSF Extracellular Vesicle Origin and Proteome

Published: Dec 10, 2018

Author(s): Alexander G. Thompson, Elizabeth Gray, Imre Mager, Roman Fischer, Marie‐Laëtitia Thézénas, Philip D Charles, Kevin Talbot, Samir El Andaloussi, Benedikt M. Kessler, Matthew Wood, Martin R. Turner

Journal: PROTEOMICS

Abstract Cerebrospinal fluid (CSF) extracellular vesicles (EVs) show promise as a source of neurological disease biomarkers, although their precise origin is poorly understood. Current extraction techniques produce disappointing yield and purity. This study describes the application of ultrafiltration LC (UFLC) to CSF‐EVs, compared with ultracentrifugation (UC), and explores CSF‐EV origin. EVs are extracted from human CSF by UC and...

Read More thumbnail image: UFLCDerived CSF Extracellular Vesicle Origin and Proteome

Study of two large‐dimension Murillo's paintings by means of macro X‐ray fluorescence imaging, point X‐ray fluorescence analysis, and stratigraphic studies

Published: Dec 10, 2018

Author(s): Anabelle Križnar, Francisco J. Ager, Claudia Caliri, Francesco Paolo Romano, Miguel Ángel Respaldiza, María Auxiliadora Gómez‐Morón, Lourdes Núñez, Rocío Magdaleno

Journal: X-Ray Spectrometry

During the recent restoration of two large‐dimension paintings by Murillo, entitled “Miracle of the loaves and fishes” and “Moses and the water from the rock of Horeb,” several studies about the materials employed for their execution were carried out. Macro X‐ray fluorescence scanning technique was performed on both works complemented by point X‐ray fluorescence and stratigraphic analyses, in order to characterize the different components...

Read More thumbnail image: Study of two largedimension Murillos paintings by means of macro Xray fluorescence imaging point Xray fluorescence analysis and stratigraphic studies

Evaluation of enamel demineralization and fluorine uptake caused by gustatory stimulants of salivary secretion (GSSS) using Raman spectroscopy and proton induced gamma‐ray emission (PIGE)

Published: Dec 10, 2018

Author(s): Gonçalo Luís, Hugo Silva, João Silveira, Vasco Manteigas, António Mata, Duarte Marques, Adelaide Jesus, Micaela Fonseca, Sofia Pessanha

Journal: Journal of Raman Spectroscopy

Abstract In this work, two gustatory stimulants of salivary secretion (GSSS) were studied using Raman microscopy to evaluate their potential demineralization effect in human enamel samples and proton induced gamma‐ray emission (PIGE) to quantify fluorine uptake. These pharmaceutical products are usually administrated to patients who have revealed xerostomia, namely, caused by radiation therapy, chemotherapy, or diseases such as...

Read More thumbnail image: Evaluation of enamel demineralization and fluorine uptake caused by gustatory stimulants of salivary secretion GSSS using Raman spectroscopy and proton induced gammaray emission PIGE

Doping control analysis of four JWH‐250 metabolites in equine urine by liquid chromatography–tandem mass spectrometry

Published: Dec 9, 2018

Author(s): Youwen You, Rachel M. Proctor, Eric D. Vasilko, Mary A. Robinson

Journal: Drug Testing and Analysis

Abstract JWH‐250 is a synthetic cannabinoid. Its use is prohibited in equine sport according to the Association of Racing Commissioners International (ARCI) and the Fédération Équestre Internationale (FEI). A doping control method to confirm the presence of four JWH‐250 metabolites (JWH‐250 4‐OH‐pentyl, JWH‐250 5‐OH‐pentyl, JWH‐250 5‐OH‐indole, and JWH‐250 N‐pentanoic acid) in equine urine was developed and validated. Urine...

Read More thumbnail image: Doping control analysis of four JWH250 metabolites in equine urine by liquid chromatographytandem mass spectrometry
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