A new PLS method for studying nonlinearity

Laura Ruvuna is guest web writer for Analytical Methods. She is currently a Postdoctoral Fellow at Northwestern University, Evanston, Illinois, USA.

Statistical methods such as partial least squares (PLS) and principle component analysis (PCA) have been used to process vibrational spectra in order to understand certain trends between samples and their spectra. However, these methods and similar ones break down when the variables demonstrate a nonlinear relationship.

Guangzaho Huang and researchers at Wenzhou University explored updating a genetic algorithm to process nonlinear data. They found that this genetic algorithm PLS (GS-PLS) model performed more effectively than other PLS models did, particularly when nonlinearity was the primary restricting factor.  The GS-PLS worked in both simulated data sets and using near infrared spectra from different materials.

To read more about this new method, click the link below. It will be free to read until May 11th.

A segmented PLS method based on genetic algorithm
Guangzao Huang,  Xiukai Ruan,  Xiaojing Chen,  Dongxiu Lina and  Wenbin Liua
Anal. Methods, 2014, 6, 2900-2908
DOI: 10.1039/C3AY41765D

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HOT articles in Analytical Methods

Take a look at our new hot articles just published in Analytical Methods. These papers are all free to read for the next few weeks. Enjoy the reading! Graphical abstract: A simple chalcone-based fluorescent chemosensor for the detection and removal of Fe3+ ions using a membrane separation method

A sensitive electrochemical biosensor for microRNA detection based on streptavidin–gold nanoparticles and enzymatic amplification
Yunlin Peng, Jianhui Jiang and Ruqin Yu
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C4AY00033A, Paper

A simple chalcone-based fluorescent chemosensor for the detection and removal of Fe3+ ions using a membrane separation method
K. Velmurugan, J. Prabhu, Lijun Tang, T. Chidambaram, M. Noel, S. Radhakrishnan and R. Nandhakumar
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42139B, Paper

Quantification by SIFT-MS of volatile compounds emitted by in vitro cultures of S. aureus, S. pneumoniae and H. influenzae isolated from patients with respiratory diseases
Thomas W. E. Chippendale, Francis J. Gilchrist, Patrik Španěl, Alice Alcock, Warren Lenney and David Smith
Anal. Methods, 2014,6, 2460-2472
DOI: 10.1039/C4AY00209A, Paper

Selective recognition of luteolin and quercetin based on the specific interaction of ortho-dihydroxy substituents with a zinc(II) complex
Bowen Xiao, Huijuan Wang, Xijuan Zhao and Yuanfang Li
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C4AY00066H, Paper

A segmented PLS method based on genetic algorithm
Guangzao Huang, Xiukai Ruan, Xiaojing Chen, Dongxiu Lin and Wenbin Liu
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41765D, Paper Graphical abstract: Advancing the analysis of impurities in hydrogen by use of a novel tracer enrichment method

Electrochemically controlled solid phase microextraction of ibuprofen based on nanostructure conducting molecular imprinted polypyrrole and selective analysis in biological and formulation samples using ion mobility spectrometry
Naader Alizadeh, Elham Samaei and Hamideh Kalhor
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42090F, Paper

Advancing the analysis of impurities in hydrogen by use of a novel tracer enrichment method
Arul Murugan and Andrew S. Brown
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42174K, Paper

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HOT articles in Analytical Methods

Take a look at our new hot articles just published in Analytical Methods. These papers are all free to read until 21st April 2014. Enjoy the reading! Graphical abstract: Quantitative-nanoliter immunoassay in capillary immune microreactor adopted inkjet technology

Quantitative-nanoliter immunoassay in capillary immune microreactor adopted inkjet technology
Jianmin Yang, Hulie Zeng, Shuhua Xue, Fengming Chen, Hizuru Nakajima and Katsumi Uchiyama
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C4AY00216D, Communication

A core–shell Fe3O4 nanoparticle–CdTe quantum dot–molecularly imprinted polymer composite for recognition and separation of 4-nonylphenol
Shuang Han, Xin Li, Yuan Wang and Chao Su
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41924J, Paper

A sensitive, switchable and biocompatible surface enhanced Raman scattering-fluorescence dual mode probe using bipyramid gold nanocrystal-gold nanoclusters for high-throughput biodetection
Zhou Xiaoyan, Li Ruiyi, Wu Xiaofei and Li Zaijun
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41966E, Paper

A naphthalimide-based azo colorimetric and ratiometric probe: synthesis and its application in rapid detection of cyanide anions
Yuanqiang Hao, Wansong Chen, Liqiang Wang, Binbin Zhou, Qiguang Zang, Song Chen and You-Nian Liu
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41931B, Paper Graphical abstract: Determination of selenium in soil samples using high-resolution continuum source graphite furnace atomic absorption spectrometry and direct solid sample analysis

Determination of hepatitis B virus surface antigen in serum with a sandwich immunoassay and capillary electrophoresis–electrochemical detection
Yu Chen, Jie Wang, Zhongming Liu and Guoquan Wu
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C4AY00109E, Paper

Determination of selenium in soil samples using high-resolution continuum source graphite furnace atomic absorption spectrometry and direct solid sample analysis
Ivan N. B. Castilho, Éderson R. Pereira, Bernhard Welz, Abdallah A. Shaltout, Eduardo Carasek and Irland B. Gonzaga Martens
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42227E, Paper

Fast analysis of β-ecdysone in Brazilian ginseng (Pfaffia glomerata) extracts by high-performance liquid chromatography using a fused-core column
Mauricio A. Rostagno, Isabel C. N. Debien, Renata Vardanega, Gislaine C. Nogueira, Gerardo F. Barbero and M. Angela A. Meireles
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42276C, Paper

Magnetic solid-phase extraction combined with in situ slurry cold vapor generation atomic fluorescence spectrometry for preconcentration and determination of ultratrace mercury
Wang-bing Zhang, Chu-xiao Sun and Xin-an Yang
Anal. Methods, 2014, Advance Article Graphical abstract: Determination of danofloxacin and its photodegradation products by HPLC-DAD. Kinetic evaluation of the degradation process and identification of photoproducts by mass spectrometry
DOI: 10.1039/C3AY42118J, Paper

Determination of danofloxacin and its photodegradation products by HPLC-DAD. Kinetic evaluation of the degradation process and identification of photoproducts by mass spectrometry
Urszula Hubicka, Barbara Żuromska-Witek, Paweł Żmudzki, Michał Stanisławski and Jan Krzek
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42300J, Paper

A novel approach for differentiation of milk fractions and polyvinylpyrrolidone with different molecular weight by patterns derived from cupric chloride crystallization with additives
Johannes Kahl, Nicolaas Busscher, Wolfgang Hoffmann, Gaby Mergardt, Ingrid Clawin-Raedecker and Angelika Ploeger
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41568F, Technical Note

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Probing tissue calcifications for cancer

Laura Ruvuna is guest web writer for Analytical Methods. She is currently a Postdoctoral Fellow at Northwestern University, Evanston, Illinois, USA.

The presence of calcifications is an early indicator of breast cancer and is detected using a mammography to diagnose the disease. However, both malignant and benign tissues present these calcifications, and the small chemical differences in both cases have been difficult to distinguish. Vibrational spectroscopy has been used to study these differences, but the difficulty arises in trying to locate them deep in tissue.

Researchers in the UK at Gloucestershire Royal Hospital, Cranfield University and the University of Exeter compared micro CT and X-ray fluorescence (XRF) in locating calcifications embedded within wax biopsy tissue samples. Both techniques successfully located calcifications, and CT had some advantages in resolution, speed and depth. Furthermore, typical collection, such as the dyes used in histological staining can affect the collected spectra. An alternative method such as CT coupled with spectroscopy could potentially find calcifications and detect cancer.

To read more about this study, click the link below which is free until April 19th.

Locating microcalcifications in breast histopathology sections using micro CT and XRF mapping
Robert Scott, Catherine Kendall, Nicholas Stone and Keith Rogers
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42158A

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HOT articles in Analytical Methods

Take a look at our new hot articles just published in Analytical Methods. These papers are all free to read until 14th April 2014. Enjoy the reading! Graphical abstract: Amplified inhibition of the electrochemical signal of graphene–thionine nanocomposites using silica nanoprobes for ultrasensitive electrochemical immunoassays

Synthesis of Ag2S quantum dots by a single-source precursor: an efficient electrode material for rapid detection of phenol
Swarup Kumar Maji, Sivaramapanicker Sreejith, Amal Kumar Mandal, Amit Kumar Dutta and Yanli Zhao
Anal. Methods, 2014,6, 2059-2065
DOI: 10.1039/C3AY42264J, Paper

Amplified inhibition of the electrochemical signal of graphene–thionine nanocomposites using silica nanoprobes for ultrasensitive electrochemical immunoassays
Guosong Lai, Cuiying Yin, Xiangen Tan, Haili Zhang and Aimin Yu
Anal. Methods, 2014,6, 2080-2085
DOI: 10.1039/C4AY00020J, Paper

Advances in the offline trace metal extraction of Mn, Co, Ni, Cu, Cd, and Pb from open ocean seawater samples with determination by sector field ICP-MS analysis
Fabien Quéroué, Ashley Townsend, Pier van der Merwe, Delphine Lannuzel, Géraldine Sarthou, Eva Bucciarelli and Andrew Bowie
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41312H, Paper

Low-cost synthesis of carbon nanodots from natural products used as a fluorescent probe for the detection of ferrum(III) ions in lake water
Jingyi Xu, Ying Zhou, Shuxian Liu, Meiting Dong and Chaobiao Huang
Anal. Methods, 2014,6, 2086-2090
DOI: 10.1039/C3AY41715H, Paper Graphical abstract: Synthesis of Ag2S quantum dots by a single-source precursor: an efficient electrode material for rapid detection of phenol

Recent advances in the fabrication and detection of lectin microarrays and their application in glycobiology analysis
Hong Li, Liming Wei, Pan Fang and Pengyuan Yang
Anal. Methods, 2014,6, 2003-2014
DOI: 10.1039/C3AY41974F, Critical Review

Magnetic separation–enrichment-mediated signal amplification for a simple and sensitive fluorometric assay of biotin
Hong Li, Wenping Zhu, Guoli Shen and Ruqin Yu
Anal. Methods, 2014,6, 2091-2095
DOI: 10.1039/C3AY42128G, Paper

UPLC-MS coupled with a dynamic multiple data processing method for the comprehensive detection of the chemical constituents of the herbal formula San-Miao-Wan
Di Zou, Ai-hua Zhang, Guang-li Yan, Yun-long Tan, Hui Sun and Xi-jun WangGraphical abstract: Recent advances in the fabrication and detection of lectin microarrays and their application in glycobiology analysis
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41814F, Paper

Capillary electrophoresis of a wide range of DNA fragments in a mixed solution of hydroxyethyl cellulose
Zhenqing Li, Chenchen Liu, Yoshinori Yamaguchi, Yi Ni, Qingxiang You and Xiaoming Dou
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41965G, Paper

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HOT articles in Analytical Methods

Take a look at our new hot articles just published in Analytical Methods. These papers are all free to read until 8th April 2014. Enjoy the reading! Graphical abstract: Selective and colorimetric detection of pyruvic acid using conformational switch of i-motif DNA and unmodified gold nanoparticles

Sensitive and rapid determination of diethylstilbestrol using mesoporous SBA-15 modified electrode
Xiafeng Xie, Dong Sun, Guishen Liu and Qingpeng Zeng
Anal. Methods, 2014,6, 1640-1644
DOI: 10.1039/C3AY41977K, Paper

Locating microcalcifications in breast histopathology sections using micro CT and XRF mapping
Robert Scott, Catherine Kendall, Nicholas Stone and Keith Rogers
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42158A, Paper

Spatially resolved chemical imaging of individual atmospheric particles using nanoscale imaging mass spectrometry: insight into particle origin and chemistry
Sutapa Ghosal, Peter K. Weber and Alexander Laskin
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42012D, Paper Graphical abstract: Preparation of a mixed-mode silica-based sorbent by click reaction and its application in the determination of primary aromatic amines in environmental water samples

Selective and colorimetric detection of pyruvic acid using conformational switch of i-motif DNA and unmodified gold nanoparticles
Wei Li, Chao Pan, Ting Hou, Xiuzhong Wang and Feng Li
Anal. Methods, 2014,6, 1645-1649
DOI: 10.1039/C3AY41883A, Paper

Preparation of a mixed-mode silica-based sorbent by click reaction and its application in the determination of primary aromatic amines in environmental water samples
Yuling Zhu, Weiya Zhang, Lixia Li, Caiying Wu and Jun Xing
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42027B, Paper

Microfluidic chip for rapid analysis of cerebrospinal fluid infected with Staphylococcus aureus
Hao Yuan, Yingchao Liu, Xiran Jiang, Shangchen Xu and Guodong Sui
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41925H, Communication Graphical abstract: Brushing, a simple way to fabricate SERS active paper substrates

Brushing, a simple way to fabricate SERS active paper substrates
Wei Zhang, Bowei Li, Lingxin Chen, Yunqing Wang, Dingxue Gao, Xuehua Ma and Aiguo Wu
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C4AY00046C, Paper

Quantification of recombinant human relaxin-2 (B-29/A-24) in non-pregnant rat plasma using ultra performance liquid chromatography-mass spectrometry
Xiaoyan Zhu, Jingjing Liu, Jie Wu, Rongyue Cao and Taiming Li
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42194E, Paper

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Geological technique adapted to analyse Aboriginal Australian objects

Chemistry World story by Rebecca Brodie

Australian scientists have used a device initially designed for the mining industry to analyse the mineral content of pigments on wooden objects of cultural significance.

Aboriginal Australian people use mineral pigments such as kaolinite and hematite to decorate wood, bark, resin and other organic substances. The analysis of these materials in a non-destructive way can be extremely challenging. In objects with elaborate designs, what is needed is a technique that can analyse point-by-point and map out the pigments on the surface of the object.

To read the full article by Rebecca Brodie, please visit Chemistry World.

HyLogger™ near-infrared spectral analysis: a non-destructive mineral analysis of Aboriginal Australian objects
Rachel S. Popelka-Filcoff, Alan Mauger, Claire E. Lenehan, Keryn Walshe and Allan Pring
Anal. Methods, 2014,6, 1309-1316
DOI: 10.1039/C3AY41436A, Paper

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HOT articles in Analytical Methods

Take a look at our new hot articles just published in Analytical Methods. These papers are all free to read until March 31st 2014. Enjoy the reading!

Graphical abstract: Human papilloma virus genotyping by surface-enhanced Raman scattering

Human papilloma virus genotyping by surface-enhanced Raman scattering
Sam Hibbitts, P. Lewis White, Julie Green, Graeme McNay, Duncan Graham and Ross Stevenson
Anal. Methods, 2014,6, 1288-1290
DOI: 10.1039/C4AY00155A, Communication

A porous layer open tubular monolith on microstructured optical fibre for microextraction and online GC-MS applications
Samuel M. Mugo, Lauren Huybregts and James Mazurok
Anal. Methods, 2014,6, 1291-1295
DOI: 10.1039/C3AY41732H, Communication

Simple and highly sensitive electrogenerated chemiluminescence adenosine aptasensor formed by adsorbing a ruthenium complex-tagged aptamer on single-walled carbon nanotubes
Zhejian Li, Honglan Qi, Haiying Yang, Qiang Gao and Chengxiao Zhang
Anal. Methods, 2014,6, 1317-1323
DOI: 10.1039/C3AY41978A, Paper

Spectroscopic studies on naftazone and its metal complexes with analytical applications for quality control of tablets
Fawzia Ahmed Ibrahim, Nahed Mahmoud El-Enany, Rania Nabih El-Shaheny and Ibraam Emad Mikhail Graphical abstract: Simple and highly sensitive electrogenerated chemiluminescence adenosine aptasensor formed by adsorbing a ruthenium complex-tagged aptamer on single-walled carbon nanotubes
Journal Article
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY41819G, Paper

Determination of the migration of eight parabens from antibacterial plastic packaging by liquid chromatography-electrospray ionization-tandem mass spectrometry
Lijun Lu, Wenming Xiong, Xiaojing Li, Shuiyuan Lv, Xi Tang, Minshi Chen, Zhexiang Zou, Zhenyu Lin, Bin Qiu and Guonan Chen
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42080A, Paper

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Improving brain cancer diagnostics with Raman spectroscopy

Jennifer A. Dougan is a guest web-writer for Analyst. She is currently a Post-Doctoral Research Associate at Imperial College London, UK.

Microscopic images of H&E stained tissue sections of normal brain, metastatic brain, primary sites and GBM brain WHO grade IV (x100).

According to the Brain Research Trust, brain tumours are diagnosed in ~13000 people in Britain each year (of which 60 % are metastatic), 20 % of all cancer patients will develop secondary metastatic tumours in the brain and brain tumours are the most common solid tumour in children. Dr. Matt Baker and colleagues from the University of Central Lancaster, Lancashire Teaching Hospital and Dublin Institute of Technology have reported a study on the use of Raman spectroscopy to aid the diagnosis of brain cancer.

In this HOT new Analytical Methods paper, the team showed differences in spectra obtained by Raman scattering at the air-tissue interface and immersion Raman (where the sample is submerged in an appropriate medium, such as water) at the water-tissue interface. Immersion Raman was then used to identify differences between the tissue classes. Multivariate analysis was employed to differentiate between primary malignant tumours (glioblastoma multiforme), metastatic tumours and normal brain tissue with impressive sensitivity and specificity.  To read more about this study download the full article below, which is free to access until March 7th.

1

Investigating the use of Raman and immersion Raman spectroscopy for spectral histopathology of metastatic brain cancer and primary sites of origin
Leanne M. Fullwood, Graeme Clemens, Dave Griffiths, Katherine Ashton, Timothy P. Dawson, Robert W. Lea, Charles Davis, Franck Bonnier, Hugh J. Byrne and Matthew J. Baker 
Journal Article
Anal. Methods, 2014, Advance Article
DOI: 10.1039/C3AY42190B

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Top ten most accessed Analytical Methods articles for October-December 2013

Here are the top ten most accessed Analytical Methods articles from October to December 2013.

Fluorescence spectroscopy and multi-way techniques. PARAFAC
Kathleen R. Murphy, Colin A. Stedmon, Daniel Graeber and Rasmus Bro
Anal. Methods, 2013,5, 6557-6566
DOI: 10.1039/C3AY41160E, Tutorial Review

Photocatalytic reduction of CO2: a brief review on product analysis and systematic methods
Jindui Hong, Wei Zhang, Jia Ren and Rong Xu
Anal. Methods, 2013,5, 1086-1097
DOI: 10.1039/C2AY26270C, Minireview

Fluorescent probes for selective determination of trace level Al3+: recent developments and future prospects
Sudipta Das, Mili Dutta and Debasis Das
Anal. Methods, 2013,5, 6262-6285
DOI: 10.1039/C3AY40982A, Minireview

Nanoparticles: a global vision. Characterization, separation, and quantification methods. Potential environmental and health impact
Ana López-Serrano, Riansares Muñoz Olivas, Jon Sanz Landaluze and Carmen Cámara
Anal. Methods, 2014,6, 38-56
DOI: 10.1039/C3AY40517F, Critical Review

Detection of apoptosis: A review of conventional and novel techniques
Michelle M. Martinez, Randall D. Reif and Dimitri Pappas
Anal. Methods, 2010,2, 996-1004
DOI: 10.1039/C0AY00247J, Critical Review

Let there be chip—towards rapid prototyping of microfluidic devices: one-step manufacturing processes
Ansgar Waldbaur, Holger Rapp, Kerstin Länge and Bastian E. Rapp
Anal. Methods, 2011,3, 2681-2716
DOI: 10.1039/C1AY05253E, Critical Review

Electrochemical impedance spectroscopy: an overview of bioanalytical applications
Edward P. Randviir and Craig E. Banks
Anal. Methods, 2013,5, 1098-1115
DOI: 10.1039/C3AY26476A, Critical Review

Rhodamine and BODIPY chemodosimeters and chemosensors for the detection of Hg2+, based on fluorescence enhancement effects
M. J. Culzoni, A. Muñoz de la Peña, A. Machuca, H. C. Goicoechea and R. Babiano
Anal. Methods, 2013,5, 30-49
DOI: 10.1039/C2AY25769F, Critical Review

Application of Raman spectroscopy for the differentiation of lipstick traces
Fatma Salahioglu, Michael J. Went and Stuart J. Gibson
Anal. Methods, 2013,5, 5392-5401
DOI: 10.1039/C3AY41274A, Paper

The Folin–Ciocalteu assay revisited: improvement of its specificity for total phenolic content determination
Juan Carlos Sánchez-Rangel, Jorge Benavides, J. Basilio Heredia, Luis Cisneros-Zevallos and Daniel A. Jacobo-Velázquez
Anal. Methods, 2013,5, 5990-5999
DOI: 10.1039/C3AY41125G, Paper

If you have any comments or thoughts on any of these articles, we welcome you to write these in the comment box below.

Do you fancy submitting an article to Analytical Methods? Why not submit to us here today or alternatively email us with your suggestions!

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