All Stories

  1. Fast and affordable soil health monitoring
  2. Cost-effective monitoring of essential chemical elements in cultivated soil
  3. Using light to estimate the size of polymer particles
  4. Laboratory in our pocket
  5. What happens with excise duty components when fuel is exposed to improper storage?
  6. Search for evidence of fuel laundering
  7. Detection of recyclable plastic waste using hyperspectral imaging.
  8. Near-infrared spectroscopy (NIR) supports the identification of ground meat species.
  9. Exploratory Analysis of Metabolomic Data
  10. Recent trends in the use of liquid fuel taggants and their analysis
  11. Counterfeit medicines pose a serious threat to public health
  12. Testing of complementarity of PDA and MS detectors using chromatographic fingerprinting of genuine and counterfeit samples containing sildenafil citrate
  13. Chromatographic impurity fingerprinting of genuine and counterfeit Cialis® as a means to compare the discriminating ability of PDA and MS detection
  14. New method to identify real vs. fake Viagra using chromatographic impurity profiles
  15. Expert system for monitoring the tributyltin content in inland water samples
  16. Prediction of the hydrophilic antioxidant capacity of tomato pastes from the IR and fluorescence excitation–emission spectra of extracts and intact samples
  17. Detection of discoloration in diesel fuel based on gas chromatographic fingerprints
  18. Metabolomics provide new insights on lung cancer staging and discrimination from chronic obstructive pulmonary disease
  19. A rapid validation of the antioxidant capacity of food commodities based on their fluorescence excitation emission spectra as applicable to coffee and peppermint extracts
  20. Modeling of the total antioxidant capacity of rooibos (Aspalathus linearis) tea infusions from chromatographic fingerprints and identification of potential antioxidant markers
  21. Probing an Artificial Polypeptide Receptor Library Using a Series of Novel Histamine H3 Receptor Ligands
  22. Clustering in Analytical Chemistry
  23. Identifying the illegal removal from diesel oil of certain chemical markers that designate excise duty
  24. Revised DBSCAN algorithm to cluster data with dense adjacent clusters
  25. Robust Methods in Analysis of Multivariate Food Chemistry Data
  26. Simultaneous determination of Solvent Yellow 124 and Solvent Red 19 in diesel oil using fluorescence spectroscopy and chemometrics
  27. Controlling sugar quality on the basis of fluorescence fingerprints using robust calibration
  28. Dissimilarity partial least squares applied to non-linear modeling problems
  29. Improvement of classification using robust soft classification rules for near-infrared reflectance spectral data
  30. Impurity fingerprints for the identification of counterfeit medicines—A feasibility study
  31. Preface
  32. Methods for the exploratory analysis of two-dimensional chromatographic signals
  33. Avoiding spots detection in analysis of electrophoretic gel images
  34. Automated alignment of one-dimensional chromatographic fingerprints
  35. Multivariate discrimination of wines with respect to their grape varieties and vintages
  36. Comparative analysis of the chromatographic fingerprints of twenty different sage ( Salvia L.) species
  37. Recognizing paracetamol formulations with the same synthesis pathway based on their trace-enriched chromatographic impurity profiles
  38. Robust Methods in Qsar
  39. The Proteomic Analysis of Primary Cortical Astrocyte Cell Culture after Morphine Administration
  40. Automatic preprocessing of electrophoretic images
  41. Matching 2D gel electrophoresis images with Matlab ‘Image Processing Toolbox’
  42. Density-Based Clustering Methods
  43. Identification of similar and orthogonal chromatographic thin-layer systems for two-dimensional separations of flavonoids and their analogues
  44. Isotopic ratios to detect infringements of patents or proprietary processes of pharmaceuticals: Two case studies
  45. No-alignment-strategies for exploring a set of two-way data tables obtained from capillary electrophoresis–mass spectrometry
  46. Near-infrared reflectance spectroscopy and multivariate calibration techniques applied to modelling the crude protein, fibre and fat content in rapeseed meal
  47. Robust partial least squares model for prediction of green tea antioxidant capacity from chromatograms
  48. Target selection for alignment of chromatographic signals obtained using monochannel detectors
  49. Start-to-end processing of two-dimensional gel electrophoretic images
  50. Robust SIMCA-bounding influence of outliers
  51. Dealing with missing values and outliers in principal component analysis
  52. Robust statistics in data analysis — A review
  53. TOMCAT: A MATLAB toolbox for multivariate calibration techniques
  54. From projection pursuit to other unsupervised chemometric techniques
  55. Identifying potential biomarkers in LC-MS data
  56. Use and abuse of chemometrics in chromatography
  57. Retention Prediction of Peptides Based on Uninformative Variable Elimination by Partial Least Squares
  58. A comparison of three algorithms for chromatograms alignment
  59. Evaluation of chemometric techniques to select orthogonal chromatographic systems
  60. Peak Alignment of Urine NMR Spectra Using Fuzzy Warping
  61. Improving QSAR models for the biological activity of HIV Reverse Transcriptase inhibitors: Aspects of outlier detection and uninformative variable elimination
  62. Chemometrical exploration of an isotopic ratio data set of acetylsalicylic acid
  63. Prediction of total green tea antioxidant capacity from chromatograms by multivariate modeling
  64. Exploring and modelling the responses of electrospray and atmospheric pressure chemical ionization techniques based on molecular descriptors
  65. Explaining a presence of groups in analytical data in terms of original variables
  66. Prediction of enantioselectivity using chirality codes and Classification and Regression Trees
  67. Chemometrical exploration of the wet precipitation chemistry from the Austrian Monitoring Network (1988–1999)
  68. Multivariate adaptive regression splines—studies of HIV reverse transcriptase inhibitors
  69. Density-based clustering for exploration of analytical data
  70. Classification and Regression TreesStudies of HIV Reverse Transcriptase Inhibitors
  71. A methodology to detect outliers/inliers in prediction with PLS
  72. A journey into low-dimensional spaces with autoassociative neural networks
  73. Determining orthogonal chromatographic systems prior to the development of methods to characterise impurities in drug substances
  74. Projection methods in chemistry
  75. On the Optimal Partitioning of Data with K-Means, Growing K-Means, Neural Gas, and Growing Neural Gas
  76. Representative subset selection
  77. Looking for Natural Patterns in Analytical Data. 2. Tracing Local Density with OPTICS
  78. Looking for natural patterns in data