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Coupling nanoliter high‐performance liquid chromatography to inductively coupled plasma mass spectrometry for arsenic speciation

Published: Jan 12, 2018

Author(s): Heyong Cheng, Lihuan Shen, Jinhua Liu, Zigang Xu, Yuanchao Wang

Journal: Journal of Separation Science

Abstract Nanoliter high‐performance liquid chromatography shows low consumption of solvents and samples, offering one of the best choices for arsenic speciation in precious samples in combination with inuctively coupled plasma mass spectrometry. A systematic investigation on coupling nanoliter high‐performance liquid chromatography to inductively coupled plasma mass spectrometry from instrument design to injected sample volume and...

Read More thumbnail image: Coupling nanoliter highperformance liquid chromatography to inductively coupled plasma mass spectrometry for arsenic speciation

Functionalization of zwitterionic polymer brushes, do they remain antifouling?

Published: Jan 12, 2018

Author(s): Shoghik Hakobyan, Olena Rzhepishevska, David R. Barbero, Madeleine Ramstedt

Journal: Surface and Interface Analysis

Polymer brushes are surface coatings that can be tailored in many ways to suit specific demands including reduction of protein and bacterial fouling of biomaterials. Previously, we reported that antifouling poly (2‐(methacryloxy)ethyl)dimethyl‐3‐sulphopropyl ammonium hydroxide) brushes dramatically reduced formation of bacterial biofilm. We hypothesized that: (1) this brush could be efficiently functionalized with a small molecule...

Read More thumbnail image: Functionalization of zwitterionic polymer brushes do they remain antifouling

Functionalization of zwitterionic polymer brushes, do they remain antifouling?

Published: Jan 12, 2018

Author(s): Shoghik Hakobyan, Olena Rzhepishevska, David R. Barbero, Madeleine Ramstedt

Journal: Surface and Interface Analysis

Polymer brushes are surface coatings that can be tailored in many ways to suit specific demands including reduction of protein and bacterial fouling of biomaterials. Previously, we reported that antifouling poly (2‐(methacryloxy)ethyl)dimethyl‐3‐sulphopropyl ammonium hydroxide) brushes dramatically reduced formation of bacterial biofilm. We hypothesized that: (1) this brush could be efficiently functionalized with a small molecule...

Read More thumbnail image: Functionalization of zwitterionic polymer brushes do they remain antifouling

Surface interaction of H 2 O and H 2 S onto Ca 12 O 12 nanocluster: Quantum‐chemical analyses

Published: Jan 12, 2018

Author(s): Ali Shokuhi Rad, Sadegh Mehdi Aghaei, Hossein Pazoki, Ehsan Binaeian, Mahmoud Mirzaei

Journal: Surface and Interface Analysis

To find the selectivity of H2S, we explicate the adsorption properties of water (H2O) and hydrogen sulfide (H2S) molecules on the external surfaces of free Ca12O12 nanocages using the density functional theory method. More specifically, binding energies, natural bond orbital charge transfer, dipole moment, molecular electrostatic potential, frontier molecular orbitals, density of states, and global indices of activities are calculated to deeply...

Read More thumbnail image: Surface interaction of H 2 O and H 2 S onto Ca 12 O 12 nanocluster Quantumchemical analyses

Surface interaction of H 2 O and H 2 S onto Ca 12 O 12 nanocluster: Quantum‐chemical analyses

Published: Jan 12, 2018

Author(s): Ali Shokuhi Rad, Sadegh Mehdi Aghaei, Hossein Pazoki, Ehsan Binaeian, Mahmoud Mirzaei

Journal: Surface and Interface Analysis

To find the selectivity of H2S, we explicate the adsorption properties of water (H2O) and hydrogen sulfide (H2S) molecules on the external surfaces of free Ca12O12 nanocages using the density functional theory method. More specifically, binding energies, natural bond orbital charge transfer, dipole moment, molecular electrostatic potential, frontier molecular orbitals, density of states, and global indices of activities are calculated to deeply...

Read More thumbnail image: Surface interaction of H 2 O and H 2 S onto Ca 12 O 12 nanocluster Quantumchemical analyses

Dereplication‐guided isolation of a new indole alkaloid triglycoside from the hooks of Uncaria rhynchophylla by LC with ion trap time‐of‐flight MS

Published: Jan 12, 2018

Author(s): Jian‐Gang Zhang, Xiao‐Yan Huang, Yun‐Bao Ma, Xue‐Mei Zhang, Ji‐Jun Chen, Chang‐An Geng

Journal: Journal of Separation Science

Abstract Uncaria rhynchophylla (Gou‐Teng) as the monarch herb of many formulae (Fufang), e.g. “Tian‐Ma‐Gou‐Teng‐Yin,” “Ling‐Jiao‐Gou‐Teng‐Yin,” and “Yi‐Gan‐San”, is a famous traditional Chinese medicine documented in the Chinese pharmacopoeia for mental and cardiovascular diseases. In the traditional Chinese medicine system, only the hook‐bearing stems are used as the crude materials for Gou‐Teng, and the hooks are always considered more...

Read More thumbnail image: Dereplicationguided isolation of a new indole alkaloid triglycoside from the hooks of Uncaria rhynchophylla by LC with ion trap timeofflight MS

Dereplication‐guided isolation of a new indole alkaloid triglycoside from the hooks of Uncaria rhynchophylla by LC with ion trap time‐of‐flight MS

Published: Jan 12, 2018

Author(s): Jian‐Gang Zhang, Xiao‐Yan Huang, Yun‐Bao Ma, Xue‐Mei Zhang, Ji‐Jun Chen, Chang‐An Geng

Journal: Journal of Separation Science

Abstract Uncaria rhynchophylla (Gou‐Teng) as the monarch herb of many formulae (Fufang), e.g. “Tian‐Ma‐Gou‐Teng‐Yin,” “Ling‐Jiao‐Gou‐Teng‐Yin,” and “Yi‐Gan‐San”, is a famous traditional Chinese medicine documented in the Chinese pharmacopoeia for mental and cardiovascular diseases. In the traditional Chinese medicine system, only the hook‐bearing stems are used as the crude materials for Gou‐Teng, and the hooks are always considered more...

Read More thumbnail image: Dereplicationguided isolation of a new indole alkaloid triglycoside from the hooks of Uncaria rhynchophylla by LC with ion trap timeofflight MS

Identification of cytochrome P450 isoforms involved in the metabolism of artocarpin and assessment of its drug–drug interaction

Published: Jan 12, 2018

Author(s): Wei Qu, Xuezheng Liu

Journal: Biomedical Chromatography

Abstract Artocarpin isolated from an agricultural plant Artocarpus communis has shows anti‐inflammation and anticancer activities. In this study, we utilized recombinant human UDP‐glucuronosyltransferasesupersomes (UGTs) and human liver microsomes to explore its inhibitory effect on UGTs and cytochrome p450 enzymes (CYPs). Chemical inhibition studies and screening assays with recombinant human CYPs were used to identify if CYP isoform is...

Read More thumbnail image: Identification of cytochrome P450 isoforms involved in the metabolism of artocarpin and assessment of its drugdrug interaction

Identification of cytochrome P450 isoforms involved in the metabolism of artocarpin and assessment of its drug–drug interaction

Published: Jan 12, 2018

Author(s): Wei Qu, Xuezheng Liu

Journal: Biomedical Chromatography

Abstract Artocarpin isolated from an agricultural plant Artocarpus communis has shows anti‐inflammation and anticancer activities. In this study, we utilized recombinant human UDP‐glucuronosyltransferasesupersomes (UGTs) and human liver microsomes to explore its inhibitory effect on UGTs and cytochrome p450 enzymes (CYPs). Chemical inhibition studies and screening assays with recombinant human CYPs were used to identify if CYP isoform is...

Read More thumbnail image: Identification of cytochrome P450 isoforms involved in the metabolism of artocarpin and assessment of its drugdrug interaction

The emergence of new psychoactive substance (NPS) benzodiazepines: A review

Published: Jan 12, 2018

Author(s): Kieran R. Manchester, Emma C. Lomas, Laura Waters, Fiona C. Dempsey, Peter D. Maskell

Journal: Drug Testing and Analysis

Read More thumbnail image: The emergence of new psychoactive substance NPS benzodiazepines A review

The emergence of new psychoactive substance (NPS) benzodiazepines: A review

Published: Jan 12, 2018

Author(s): Kieran R. Manchester, Emma C. Lomas, Laura Waters, Fiona C. Dempsey, Peter D. Maskell

Journal: Drug Testing and Analysis

Read More thumbnail image: The emergence of new psychoactive substance NPS benzodiazepines A review

Fault detection and diagnosis strategy based on a weighted and combined index in the residual subspace associated with PCA

Published: Jan 12, 2018

Author(s): Cheng Zhang, Xianwen Gao, Tao Xu, Yuan Li, Yujun Pang

Journal: Journal of Chemometrics

Abstract Process monitoring and diagnosis are crucial for efficient and optimal operation of a chemical plant. Most multivariate statistical process monitoring strategies, such as principal component analysis, kernel principal component analysis, and dynamic principal component analysis, take advantage of the squared prediction error statistic to monitor the state of samples in a residual subspace (RS). Squared prediction error is...

Read More thumbnail image: Fault detection and diagnosis strategy based on a weighted and combined index in the residual subspace associated with PCA

Fault detection and diagnosis strategy based on a weighted and combined index in the residual subspace associated with PCA

Published: Jan 12, 2018

Author(s): Cheng Zhang, Xianwen Gao, Tao Xu, Yuan Li, Yujun Pang

Journal: Journal of Chemometrics

Abstract Process monitoring and diagnosis are crucial for efficient and optimal operation of a chemical plant. Most multivariate statistical process monitoring strategies, such as principal component analysis, kernel principal component analysis, and dynamic principal component analysis, take advantage of the squared prediction error statistic to monitor the state of samples in a residual subspace (RS). Squared prediction error is...

Read More thumbnail image: Fault detection and diagnosis strategy based on a weighted and combined index in the residual subspace associated with PCA

Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites

Published: Jan 12, 2018

Author(s): Darija Obradović, Filip Andrić, Mario Zlatović, Danica Agbaba

Journal: Journal of Chemometrics

Abstract Aripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, δd, δp, and δh, which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of...

Read More thumbnail image: Modeling of Hansens solubility parameters of aripiprazole ziprasidone and their impurities A nonparametric comparison of models for prediction of drug absorption sites

Modeling of Hansen's solubility parameters of aripiprazole, ziprasidone, and their impurities: A nonparametric comparison of models for prediction of drug absorption sites

Published: Jan 12, 2018

Author(s): Darija Obradović, Filip Andrić, Mario Zlatović, Danica Agbaba

Journal: Journal of Chemometrics

Abstract Aripiprazole and ziprasidone are atypical antipsychotic drugs with the effect on positive and negative symptoms of schizophrenia, mania, and mixed states of bipolar disorder. Hansen's solubility parameters, δd, δp, and δh, which account for dispersive, polarizable, and hydrogen bonding contributions to the overall cohesive energy of a compound, are often used to assess pharmacokinetic properties of drugs. However, no data exist of...

Read More thumbnail image: Modeling of Hansens solubility parameters of aripiprazole ziprasidone and their impurities A nonparametric comparison of models for prediction of drug absorption sites

Liquid chromatographic methods for the therapeutic drug monitoring of methotrexate as clinical decision support for personalized medicine: A brief review

Published: Jan 12, 2018

Author(s): Mónica Francisco Silva, Cláudia Ribeiro, Virgínia M. F. Gonçalves, Maria Elizabeth Tiritan, Áurea Lima

Journal: Biomedical Chromatography

Abstract Methotrexate (MTX) is an antifolate drug used for several diseases. Depending on the disease, MTX can be administered at low dose (LDMTX) in some autoimmune diseases, like rheumatoid arthritis, or at high dose (HDMTX) in some cancers, such as acute lymphoblastic leukemia. After absorption, MTX is metabolized in the liver to 7‐hydroxymethotrexate and in the intestine to 2,4‐diamino‐N10‐methylpteroic acid (DAMPA)....

Read More thumbnail image: Liquid chromatographic methods for the therapeutic drug monitoring of methotrexate as clinical decision support for personalized medicine A brief review

Liquid chromatographic methods for the therapeutic drug monitoring of methotrexate as clinical decision support for personalized medicine: A brief review

Published: Jan 12, 2018

Author(s): Mónica Francisco Silva, Cláudia Ribeiro, Virgínia M. F. Gonçalves, Maria Elizabeth Tiritan, Áurea Lima

Journal: Biomedical Chromatography

Abstract Methotrexate (MTX) is an antifolate drug used for several diseases. Depending on the disease, MTX can be administered at low dose (LDMTX) in some autoimmune diseases, like rheumatoid arthritis, or at high dose (HDMTX) in some cancers, such as acute lymphoblastic leukemia. After absorption, MTX is metabolized in the liver to 7‐hydroxymethotrexate and in the intestine to 2,4‐diamino‐N10‐methylpteroic acid (DAMPA)....

Read More thumbnail image: Liquid chromatographic methods for the therapeutic drug monitoring of methotrexate as clinical decision support for personalized medicine A brief review

Chemometrics in laser‐induced breakdown spectroscopy

Published: Jan 12, 2018

Author(s): Tianlong Zhang, Hongsheng Tang, Hua Li

Journal: Journal of Chemometrics

Abstract Laser‐induced breakdown spectroscopy (LIBS) is a new type of elemental analytical technology with the advantages of real‐time, online, and noncontact as well as enabling the simultaneous analysis of multiple elements. It has become a frontier analytical technique in spectral analysis. However, the issue of how to improve the accuracy of qualitative and quantitative analyses by extracting useful information from a large...

Read More thumbnail image: Chemometrics in laserinduced breakdown spectroscopy

Chemometrics in laser‐induced breakdown spectroscopy

Published: Jan 12, 2018

Author(s): Tianlong Zhang, Hongsheng Tang, Hua Li

Journal: Journal of Chemometrics

Abstract Laser‐induced breakdown spectroscopy (LIBS) is a new type of elemental analytical technology with the advantages of real‐time, online, and noncontact as well as enabling the simultaneous analysis of multiple elements. It has become a frontier analytical technique in spectral analysis. However, the issue of how to improve the accuracy of qualitative and quantitative analyses by extracting useful information from a large...

Read More thumbnail image: Chemometrics in laserinduced breakdown spectroscopy

Confidence ellipsoids for ASCA models based on multivariate regression theory

Published: Jan 12, 2018

Author(s): Kristian Hovde Liland, Age Smilde, Federico Marini, Tormod Næs

Journal: Journal of Chemometrics

Abstract In analysis of variance simultaneous component analysis, permutation testing is the standard way of assessing uncertainty of effect level estimates. This article introduces an analytical solution to the assessment of uncertainty through classical multivariate regression theory. We visualize the uncertainty as ellipsoids, contrasting these to data ellipsoids. This is further extended to multiple testing of effect level...

Read More thumbnail image: Confidence ellipsoids for ASCA models based on multivariate regression theory
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