Abstract: Methods for preparing a biological sample for testing by Maldi where such methods are selected based on sample parameters. Maldi scores are obtained for a range of sample parameters (e.g. McFarland, dispense volume and number of dispenses). From the data, sample preparation parameters can be selected for a biological sample being prepared for Maldi testing. One sample preparation strategy uses multiple dispenses of sample with an intervening drying step, which yields more accurate Maldi scores, particularly for samples at the low range of McFarland values (e.g. below about 2).

Abstract: The present invention provides a method for the determination of the monoisotopic mass of a macromolecule from a mass Mmono spectrometry spectrum of said macromolecule based on the experimentally determined most abundant mass, with accuracy in the low parts-per-million (ppm) range. The method uses a simple, double-linear model for predicting the monoisotopic mass based on the experimentally determined most abundant mass, comprising the steps of (a) deriving the most abundant mass MMostAb from the spectrum; and (b) calculating the monoisotopic mass MMono from the most abundant mass MMostAb, using MMono=a+?MMOSTAB+?; wherein ? is a scalar slope obtainable by fitting the slope of monoisotopic mass versus most abundant mass for a plurality of macromolecules from a macromolecule database; and ? is a scalar residue of the form ?=?int+sfrac, ?int being an integer, and ?frac being a sawtooth function of MMostAb.

Abstract: In mass spectrometry significant error is introduced during sample preparation (sample-to-sample error), during ion generation (ion suppression), and during ion transmission (ion transmission losses). We demonstrate the ability to correct for ion suppression and ion transmission losses, and that once corrected for ion losses, a sample-to-sample normalization of the analytical sample to the internal standard is possible. By normalizing to a standard sample the analytical sample becomes completely comparable to any similarly treated sample.

Abstract: The present disclosure relates to sulfoxide-based reagents suitable in the mass spectrometric determination of analyte molecules such as peptides as well as adducts of such reagents and analyte molecules and applications of the reagents and adducts. Further, the present disclosure relates to methods for the mass spectrometric determination of analyte molecules.

Abstract: A method of ion imaging is disclosed that includes automatically sampling a plurality of different locations on a sample using a front device which is arranged and adapted to generate aerosol, smoke or vapour from the sample. Mass spectral data and/or ion mobility data corresponding to each location is obtained and the obtained mass spectral data and/or ion mobility data is used to construct, train or improved a sample classification model.

Abstract: A method of quantifying a target compound includes applying an oxidation/reduction potential to an electrochemical cell (14); measuring an electrochemical current during the application of the oxidation/reduction potential; and ionizing and directing the target compound before and after the application of the oxidation/reduction potential to a mass spectrometer (16) that measures a target compound ion intensity. The method further includes determining a target compound ion intensity change due to the application of the oxidation/reduction potential and determining a total amount of the target compound in the sample using the measured electrochemical current and the target compound ion intensity change. Determining the target compound ion intensity change may comprise either comparing the target compound ion intensity before and after the electrolysis relative to a reference peak or comparing the integrated peak area of a target compound ion in an extracted ion chromatogram before and after the electrolysis.

Abstract: A system and method for sample analysis using a portable gas chromatography (GC)-mass spectrometry (MS) is provided. The GC-MS system includes an injector configured to accept a sample containing a mixture of chemicals and release at least part of the sample for a separation by GC, a MEMS GC column with an integrated heater configured to accept and at least partly separate the mixture of chemicals, and a mass analyzer in a vacuum chamber configured to accept and mass-analyze the released separated chemicals. The MEMS GC column with the integrated heater is located mostly inside the MS vacuum chamber.

Abstract: A detection kit is suitable for detecting a target compound. The detection kit includes a reaction container, an inspection solution composed of a hydrophobic solvent, and a plurality of fluorescent materials. The inspection solution is disposed in the reaction container. The fluorescent materials are dispersed in the inspection solution. The fluorescent material emits fluorescence, and after the fluorescent materials interact with the target compound, the intensity of the fluorescence emitted by the fluorescent materials is reduced.

Abstract: Methods and apparatuses for the identification and/or characterization of properties of a macromolecule based on mass spectrometry data. Specifically, described herein are methods and apparatuses for converting peptide-level data into a pseudo-intact mass spectra. Also described herein are methods and apparatuses for converting peptide-level data into a pseudo-electropherogram. The methods may be well suited for analyzing proteins and protein complexes, including estimating properties of post-translational modifications of the proteins and protein complexes. Methods may include generating a theoretical graph or spectrum based on peptide-level mass spectrometry data. In some embodiments, the theoretical graph may be a theoretical intact mass spectrum or a theoretical charge distribution spectrum.

Abstract: A method of ion imaging is disclosed that includes automatically sampling a plurality of different locations on a sample using a front device which is arranged and adapted to generate aerosol, smoke or vapour from the sample. Mass spectral data and/or ion mobility data corresponding to each location is obtained and the obtained mass spectral data and/or ion mobility data is used to construct, train or improved a sample classification model.

Abstract: The invention provides mass spectrometry methods, compositions and systems which enable a unique platform for analyte quantitation accessing very high degrees of multiplexing and accurate quantification, particularly well-suited for a range of quantitative analysis for proteomics applications. Embodiments of the present methods and systems combine isotopic coding agents characterized by very small differences in molecular mass with mass spectrometry methods providing large resolving power to provide relative or absolute analyte quantification in a large number of samples.

Abstract: Apparatus and methods are described for determining a property of a biological sample. A sample carrier (22) includes one or more sample chambers (40) that define at least a first region (42) and a second region (44), the height of the one or more sample chambers varying between the first and second regions in a predefined manner. A computer processor (28) receives data relating to a first optical measurement that is performed upon a portion of the sample that is disposed within the first region, receives data relating to a second optical measurement that is performed upon a portion of the sample that is disposed within the second region, and determines the property of the sample by using a relationship between the first optical measurement, the second optical measurement, and the predefined variation in height between the regions. Other applications are also described.

Abstract: Various embodiments of the present disclosure relate to a method for analyzing target compounds from a fluid or dried biological sample by using a microfluidic sample device including a hollow cartridge and an absorbent body unit.

Abstract: The present invention relates to a multi-phase liquid composition including: a first aqueous phase; a second aqueous phase; a lipid bilayer; and an organic phase, a device for measuring the permeability of drugs including the multi-phase liquid composition, and a method for measuring the permeability of drugs.

Abstract: Methods for peptide and/or protein quantification by mass spectrometry using labeled peptides, wherein multiple labels lead to distinct fragments for the labeled peptides and their unlabeled variant, thus facilitating data analysis and enhancing the potential for quantification. Methods for selecting the label and label position are further given, as well as sets of labeled peptides resulting from or for use in the above-mentioned methods. The methods and substances are especially useful for data-independent or multiplexed parallel reaction monitoring proteomics applications involving peptide quantification.

Abstract: A method of ion imaging is disclosed that includes automatically sampling a plurality of different locations on a sample using a front device which is arranged and adapted to generate aerosol, smoke or vapour from the sample. Mass spectral data and/or ion mobility data corresponding to each location is obtained and the obtained mass spectral data and/or ion mobility data is used to construct, train or improved a sample classification model.

Abstract: In some aspects, the present disclose provides methods for amplifying and quantifying nucleic acids. Methods for amplifying and quantifying nucleic acids comprise isolating a sample comprising nucleic acid molecules into a plurality of microchambers, performing a polymerase chain reaction on the plurality of microchambers, and analyzing the results of the polymerase chain reaction. In some aspects, the present disclosure provides devices consistent with the methods herein.

Abstract: A method of analysis using mass and/or ion mobility spectrometry or ion mobility spectrometry is disclosed comprising: using a first device to generate aerosol, smoke or vapour from one or more regions of a first target of biological material; and mass and/or ion mobility analysing and/or ion mobility analysing said aerosol, smoke, or vapour, or ions derived therefrom so as to obtain first spectrometric data. The method may use an ambient ionisation method.

Abstract: A method identifies the molecular structure of each component in a multicomponent mixture. The method includes (1) subjecting the multicomponent mixture to mass spectrometry to identify the formula of a molecule attributed to each obtained peak, and to identify abundance of the molecule; (2) subjecting the multicomponent mixture to collision induced dissociation; (3) performing mass spectrometry on each fragment ion generated via the collision induced dissociation in (2) to identify the core structure forming each fragment ion and abundance thereof; (4) dividing the molecules attributed to each peak in (1) into “classes” based on “a type and number of heteroatoms, and a DBE value”, and on all the molecules belonging to each “class”, estimating the existence state and abundance thereof; and (5) determining the core structure forming each molecule, for which the existence state is estimated in (4), and determining and assigning a side chain and a cross-link thereto.

Abstract: The present invention relates to the use of absorbent particles to improve the detection of a signal corresponding to the presence of an analyte in an analysis method on spot(s), in particular when the signal detection takes place in the presence of a liquid phase. The present invention also relates to an analysis method on spot(s) making it possible to improve the detection of a signal corresponding to the presence of an analyte, in the presence of a liquid phase comprising absorbent particles.