Abstract: The present invention relates to recombinant proteins/peptides from plant and animal materials, compositions comprising the proteins/peptides and methods for making them.

Abstract: The present specification discloses methods for determining the presence one or more analytes in a test sample, materials useful to perform the disclosed methods, and kits comprising reagents useful to practice the disclosed methods.

Abstract: In a method for determining a pulse sequence composed of multiple consecutive pulse sequence segments and multiple pre-pulses, the number of consecutive pulse sequence segments between two pre-pulses is determined on the basis of a randomizing algorithm. A pulse sequence determining device determines a pulse sequence for a magnetic resonance installation, device having an input interface for entering control protocol parameter values, a pulse sequence determining unit for determining the pulse sequence on the basis of the control protocol that has been entered, and a pre-pulse arrangement unit, which establishes the position of the pre-pulses between the pulse sequence segments in a randomly distributed manner.

Abstract: This invention relates to a method of analyzing polyolefin branches and a system using the same, the method including: a) obtaining a spectrum for a sample including polyolefin having a plurality of branches using a nuclear magnetic resonance (NMR) spectrometer and a pulse program, wherein peaks of the branches are separated from each other in the spectrum; and b) calculating the proportion of each of the branches using the separated peaks.

Abstract: The invention discloses a method to generate and analyze NMR chemical shift based binary fingerprints for virtual high throughput screening in drug discovery. Further, the invention provides a method to analyze NMR chemical shifts based binary fingerprints that has implications for encoding several properties of a molecule besides the basic framework or scaffold and determine its propensity towards a particular bioactivity class.

Abstract: Methods are described for measuring the amount of one or more of vitamin A, ?-tocopherol, and the combination of ?-tocopherol and ?-tocopherol in a sample. More specifically, mass spectrometric methods are described for detecting and quantifying one or more of vitamin A, ?-tocopherol, and the combination of ?-tocopherol and ?-tocopherol in a sample.

Abstract: Disclosed herein is a personalized method for monitoring a condition or disorder associated with antibody production in a subject. The method can involve treating a biological sample comprising immunoglobulin from the subject to enzymatically cleave a target immunoglobulin associated with the PCD into one or more variable domain peptide fragments of the target immunoglobulin, and then measuring the one or more variable domain peptide fragments in the sample by quantitative mass spectrometry to quantify the amount of the target immunoglobulin in the sample.

Abstract: The present disclosure illustrates new synthetic ALK-specific biosensors used to measure the activity or ALK, and methods of using the synthetic ALK-specific biosensors in assays, including high throughput assays.

Abstract: A method for analyzing a sample includes trapping a first ion packet in a first segment of a multi-segment reaction cell; trapping a second ion packet in a second segment of the multi-segment reaction cell; and trapping a third ion packet in a third segment of the multi-segment reaction cell. At least one of the first, second, and third ion packets includes precursor ions, and at least another one of the first, second, and third ion packets includes reagent ions. The method further includes mixing the first, second, and third ion packets within the reaction cell to cause a reaction between the precursor ions and the reagent ions to form product ions.

Abstract: The invention generally relates to systems for analyzing a sample and methods of use thereof. In certain aspects, the invention provides systems that include an ionization probe and a mass analyzer. The probe includes a hollow body that has a distal tip. The probe also includes a substrate that is at least partially disposed within the body and positioned prior to the distal tip so that sample extracted from the substrate flows into the body prior to exiting the distal tip. The probe also includes an electrode that operably interacts with sample extracted from the substrate.

Abstract: Quantitation of analytes, including but not limited to peptides, polypeptides, and proteins, in mass spectrometry using a labeled peptide coupled to a reporter, and a universal reporter.

Abstract: Based on the m/z of a precursor ion used in an MS2 analysis of a test sugar chain, a plurality of sugar-chain structure candidates are extracted from a sugar-chain database in which various sugar-chain structures are related to m/z (S2). Product ions that can be generated by cutting one sugar-chain bond are calculated for each sugar-chain structure candidate (S3). For each combination of two sugar-chain structure candidates, the product ions of one candidate are compared with those of the other to extract characteristic product ions for each sugar-chain structure candidate, and their m/z values are calculated (S4). Whether or not an MS2 spectrum of the test sugar chain has a peak located at m/z of any of the characteristic product ions is determined, and based on the determination result, the sugar-chain structure candidates are narrowed down (S5) and the obtained result is shown on a display unit (S6).

Abstract: The present invention concerns devices and methods for controlling actin filament growth and organization with micropatterned nucleation sites, and their uses for studying actin network formation, for screening of drugs or for preparing complex structures.

Abstract: The invention relates to particular ubiquitination epitopes, antibodies that specifically recognize and bind to ubiquitinated proteins and peptides (particularly after the ubiquitin is removed by proteolytic cleavage) and to methods of using these epitopes and antibodies.

Abstract: In a breast imaging method, magnetic resonance data are acquired of one or both breasts of a subject (16) using a breast coil (20, 20?) coupled with said one or both breasts. The acquiring employs at least four independent channels (41, 42, 43, 44, 45, 46; 61, 62, 63, 64, 65, 66) per breast. The acquired magnetic resonance data are processed to generate at least one of (i) an image, (ii) a spectrum, and (iii) elasticity data. The at least four independent channels per breast are suitably embodied as a dual breast coil (20) including left breast conductors (31, 32, 33, 34, 35, 36) defining at least four independent left breast acquisition channels (41, 42, 43, 44, 45, 46) and right breast conductors (51, 52, 53, 54, 55, 56) defining at least four independent right breast acquisition channels (61, 62, 63, 64, 65, 66).

Abstract: A method of mass spectrometry or ion mobility spectrometry is disclosed in which analyte ions of a desired charge state are isolated. The method comprises: separating analytes according to their electrophoretic mobility; ionizing the analytes; and mass filtering the resulting analyte ions, wherein the mass to charge ratios of the ions transmitted by a mass filter are varied as a function of the electrophoretic mobility and according to a predetermined relationship such that substantially only ions having said desired charge state are transmitted by the mass filter.

Abstract: According to a measuring method or a control method of life activity, a life object is illuminated with an electromagnetic wave including a wavelength in a designated waveband, and a characteristic in a local area of the life object is detected, or a life activity thereof is controlled. This “local area” is an area constituted by one or more cells. The “designated waveband” is defined based on any one of the following phenomena: [1] transition energy between a ground state of a vibration mode newly occurring between atoms in a constituent molecule of a cell membrane and a plurality of excited states; [2] transition energy between vibration modes occurring between specific atoms in a molecule corresponding to the activity of the life object or the change thereof; and [3] a specific chemical shift value in Nuclear Magnetic Resonance.

Abstract: Described herein are mass spectrometry systems and methods which improve the accuracy of isobaric tag-based quantification by alleviating the pervasive problem of precursor interference and co-isolation of impurities through gas-phase purification. During the gas-phase purification, the mass-to-charge ratios of precursor ions within at least a selected range are selectively changed allowing ions having similar unmodified mass-to-charge ratios to be separated before further isolation, fragmentation or analysis.

Abstract: A method and system for predicting in advance of treatment whether a cancer patient is likely, or not likely, to obtain benefit from administration of a yeast-based immune response generating therapy, which may be yeast-based immunotherapy for mutated Ras-based cancer, alone or in combination with another anti-cancer therapy. The method uses mass spectrometry of a blood-derived patient sample and a computer configured as a classifier using a training set of class-labeled spectra from other cancer patients that either benefitted or did not benefit from an immune response generating therapy alone or in combination with another anti-cancer therapy.

Abstract: The invention relates to the detection of vitamin D metabolites. In a particular aspect, the invention relates to methods for detecting derivatized vitamin D metabolites by mass spectrometry.

Abstract: A method of analyzing a biological sample, for example serum or other blood-based samples, using a MALDI-TOF mass spectrometer instrument is described. The method includes the steps of applying the sample to a sample spot on a MALDI-TOF sample plate and directing more than 20,000 laser shots to the sample at the sample spot and collecting mass-spectral data from the instrument. In some embodiments at least 100,000 laser shots and even 500,000 shots are directed onto the sample. It has been discovered that this approach, referred to as “deep-MALDI”, leads to a reduction in the noise level in the mass spectra and that a significant amount of additional spectral information can be obtained from the sample. Moreover, peaks visible at lower number of shots become better defined and allow for more reliable comparisons between samples.

Abstract: A method of providing a material sample in a state favorable to retaining spin polarization includes cooling a material sample from a temperature above a freezing point of the material sample down to a second temperature below the freezing point of the material sample; maintaining the sample at about the second temperature for a period of about several hours; and reducing temperature of the material sample to a third temperature lower than the second temperature to provide the material sample in a state favorable to retaining spin polarization, where the steps of cooling, maintaining and reducing are performed in the absence of an adulterant material. The method of providing a sample of pyruvic acid in a state favorable to retaining spin polarization may include cooling the sample of pyruvic acid in the absence of an adulterant material from a temperature above a freezing point of the sample of pyruvic acid down to less than about 200 Kelvin to provide the sample.

Abstract: A guide apparatus includes a vacuum compartment provided at a background pressure and having a gas inlet opening arranged for jetting a gas in the form of a free jet stream containing entrained ions into a vacuum chamber along a predetermined jetting axis. At least one duct housed within the vacuum chamber has a guide bore positioned coaxially with the jetting axis for receiving the free jet stream such that a supersonic free jet is formed in the duct with a jet pressure ratio P1/P2 restrained to a value that does not exceed (A/a)3 to form a subsonic laminar gas flow inside of the duct for guiding the entrained ions, where P1 is the pressure at an exit end of the gas inlet opening, P2 is the background pressure, A is the cross sectional area of the bore, and a is the cross sectional area of the gas inlet opening.

Abstract: A mass spectrometer is disclosed. The mass spectrometer may include an ion trap configured to trap and analyze an ionized sample. A first aperture may be provided having a first diameter, and a second aperture may be provided having a second diameter. The first aperture may be configured to receive electrons for the purpose of ionizing sample ions within the ion trap. The second aperture may be configured to receive photons for the purpose of ionizing sample ions within the ion trap.

Abstract: A defined peak region residing between about 3.2 and 3.4 ppm of a proton NMR spectrum of an in vitro biosample is electronically evaluated to determine a level of trimethylamine-N-oxide (“TMAO”). The biosamples may be any suitable biosamples including human serum with a normal biologic range of between about 1-50 ?M or urine with a normal biologic range of between about 0-1000 ?M.

Abstract: A defined peak region residing between about 3.2 and 3.4 ppm of a proton NMR spectrum of an in vitro biosample is electronically evaluated to determine a level of trimethylamine-N-oxide (“TMAO”). The biosamples may be any suitable biosamples including human serum with a normal biologic range of between about 1-50 ?M or urine with a normal biologic range of between about 0-1000 ?M.

Abstract: The invention relates to the detection of vitamin D metabolites. In a particular aspect, the invention relates to methods for detecting derivatized vitamin D metabolites by mass spectrometry.

Abstract: A magnetic resonance system comprises a magnetic resonance scanner (10) including a main magnet (12) generating a static magnetic field biasing nuclear spins toward aligning along a direction of the static magnetic field, magnetic field gradient coils (14), a radio frequency coil (16), and a controller (20, 22) configured to: (a) drive the radio frequency coil to selectively tip spins predominantly of short T2* out of the direction of the static magnetic field; (b) drive at least one of the magnetic field gradient coils and the radio frequency coil to dephase said spins predominantly of short T2* tipped out of the direction of the static magnetic field; and (c) drive the magnetic field gradient coils and the radio frequency coil to acquire magnetic resonance data that is predominantly T2* weighted due to preceding operations (a) and (b).

Abstract: There is provided antibodies, epitopes and methods for detecting ubiquitinated polypeptides and ubiquitination sites in proteins. The antibodies recognize a fragment of ubiquitin that is created after samples are treated with the proteoloytical enzyme LysC (or LysN).

Abstract: The invention relates to a method for determining the presence of at least one distinct polypeptide in a biological sample comprising contacting the biological sample with a hydrolyzing agent, wherein the hydrolyzing agent is capable of hydrolyzing the distinct polypeptide in a sequence-specific manner such that at least one distinct peptide having a predetermined peptide measured accurate mass would result if the at least one distinct polypeptide were present in the biological sample, to obtain a hydrolyzed sample; bringing the hydrolyzed sample in contact with a substrate comprising at least one immobilized binding partner, wherein the at least one immobilized binding partner is capable of specifically binding the distinct peptide; removing the hydrolyzed sample from the substrate in a manner such that the distinct peptide would remain bound to the immobilized binding partner; contacting the substrate with an elution solution, wherein the distinct peptide would dissociate from the immobilized binding partne

Abstract: The present invention relates to a more efficient and accurate method for the identification and quantification of comparatively low abundant glycopeptides, compared with general peptides, using mass spectrum obtained by using high resolution mass spectrometer. Therefore, the method of the present invention can be effectively used for the techniques for identification of biotherapeutics and diagnosis of cancer or disease by screening glycopeptide, the disease marker (Biomarker), from various samples.

Abstract: Aspects of the present disclosure include methods for detecting a low abundance protein and methods for identifying a site of N-glycosylation on a protein. In practicing methods according to certain embodiments, a eukaryotic cell is contacted with an isotopic labeling composition and isotopically labeled N-glycosylated peptides obtained from the eukaryotic cell are assessed by liquid chromatography-tandem mass spectrometry. A predetermined isotopic pattern in the mass spectrum is identified and amino acid sequences of the peptides containing the predetermined isotopic pattern are determined. Systems for identifying a predetermined isotopic pattern in mass spectra and determining amino acid sequences of peptides containing the predetermined isotopic pattern are also described.

Abstract: In order to improve the prediction accuracy of a service level agreement breach, an agreement breach prediction system includes: a probability distribution calculation unit that calculates a probability distribution of a measured value for each event; a probability calculation unit that calculates, for each event, a probability that applies to an SLA breach and a probability that does not applies to an SLA breach; an SLA distribution calculation unit that calculates a probability density of a measured value corresponding to the SLA breach; and a breach occurrence probability calculation unit that, when the event occurs, calculates a probability that the SLA breach occurs within the predefined time after the occurrence of the event, by using the respective probabilities corresponding to the event, and the respective probability densities corresponding to the measured values at the time of event occurrence.

Abstract: Quantitation of analytes, including but not limited to peptides, polypeptides, and proteins, in mass spectrometry using a labeled peptide coupled to a reporter, and a universal reporter.

Abstract: Disclosed is a reference material for NMR, including a nitrogen-containing compound or oxygen-containing compound and a reagent for shifting a chemical shift for the nitrogen-containing compound or oxygen-containing compound. Disclosed is a sample tube for NMR, being obtainable by providing a reference material for NMR to a first tube closed at one end, providing a second tube closed at one end into the first tube, and fusing the other end of the first tube and the other end of the second tube and sealing a gap between the other end of the first tube and the other end of the second tube.

Abstract: Systems and methods are used to rapidly screening samples. A fast sample introduction device that is non-chromatographic is instructed to supply each sample of a plurality samples to a tandem mass spectrometer using a processor. The fast sample introduction device can include a flow injection analysis device, an ion mobility analysis device, or a rapid sample cleanup device. The tandem mass spectrometer is instructed to perform fragmentation scans at two or more mass selection windows across a mass range of each sample of the plurality of samples using the processor. The two or more mass selection windows across the mass range can have fixed or variable window widths. The tandem mass spectrometer can be instructed to obtain a mass spectrum of the mass range before instructing the tandem mass spectrometer to perform the fragmentation scans.

Abstract: The invention relates to a method for identifying and quantifying by mass spectrometry imaging at least one target analyte in a tissue sample, comprising the following steps: a) depositing the tissue sample to be analyzed on a support; b) analyzing the sample by mass spectrometry imaging, so as to obtain the mass spectrum of the target analyte in said tissue sample; c) weighting a signal associated with the mass spectrum of the target analyte in said tissue sample by a tissue extinction coefficient (TEC) specific to the target analyte and to the tissue sample which is obtained by using a control tissue sample; and d) using the weighted signal of the target analyte to determine the quantity of target analyte in the tissue sample.

Abstract: The invention relates to new uses of nuclear magnetic resonance (NMR) crystallography methods to determine and/or characterize the three-dimensional structure of compounds of interest.

Abstract: An embodiment in accordance with the present invention provides a method for obtaining a magnetic resonance image (MRI) or spectrum. The method includes a step of performing a chemical exchange saturation transfer (CEST) or magnetization transfer (MT) magnetic labeling experiment of a subject using an MRI machine. When performing the CEST or MT magnetic labeling experiment aspects of a saturation pulse or a serial saturation pulse sequence, such as length (tsat), number (Nsat), offset (??), modulation frequency (?s) and power (B1) can be varied in specific-designed schemes. Data is generated from the CEST magnetic labeling experiment and is transmitted to a data processing unit. The data is processed to generate a visual representation of the data.

Abstract: An electron capture dissociation (ECD) apparatus includes a plasma source for generating plasma. Analyte ions are exposed to the plasma in an ECD interaction region, either inside or outside the plasma source. The apparatus may include one or more devices for refining the plasma in preparation for interaction with the analyte ions. Refining may entail removing unwanted species from the plasma, such as photons, metastable particles, neutral particles, and/or high-energy electrons unsuitable for ECD, and/or controlling a density of low-energy electrons in the plasma.

Abstract: A mass spectrometry method for analyzing isobarically-labeled analyte compounds comprising (a) ionizing compounds including the isobarically-labeled analyte compounds to generate a plurality of precursor ion species comprising different respective m/z ratios, (b) isolating a precursor ion species, (c) fragmenting the precursor ion species to generate a plurality of first-generation fragment ion species comprising different respective m/z ratios, and (d) selecting and co-isolating two or more of the first-generation product-ion species, the method characterized by: (e) fragmenting all of the selected and isolated first-generation product ion species so as to generate a plurality of second-generation fragment ion species including released label ions; (f) generating a mass spectrum of the second-generation fragment ion species; and (g) generating quantitative information relating to at least one analyte compound based on peaks of the mass spectrum attributable to the released label ions.

Abstract: Disclosed are methods and systems for the analysis of testosterone in a sample using supported liquid extraction and liquid chromatography-mass spectrometry.

Abstract: A mass label for labelling and detecting a biological molecule by mass spectroscopy, which label comprises the following structure: X-L-M wherein X is a mass marker moiety comprising the following group: formula (I), wherein the cyclic unit is aromatic or aliphatic and comprises from 0-3 double bonds independently between any two adjacent atoms; each Z is independently N, N(R1), C(R1), CO, CO(R1), C(R1)2, O or S; X is N, C or C(R1); each R1 is independently H, a substituted or unsubstituted straight or branched C1-C6 alkyl group, a substituted or unsubstituted aliphatic cyclic group, a substituted or unsubstituted aromatic group or a substituted or unsubstituted heterocyclic group; and y is an integer from 0-10, L is a cleavable linker comprising an amide bond and M is a mass normalization moiety.

Abstract: A method for rapidly measuring melatonin adulteration of Chinese patent medicines and healthcare foods comprises: (1) extracting melatonin added to a Chinese patent medicine or healthcare food by using ethyl acetate; and (2) adding p-dimethylaminocinnamaldehyde to the extracted solution, and observing color. The method is rapid, simple and convenient, has strong specificity, high accuracy, reaction sensitivity, and a wide application range, and is applicable to on-site detection of melatonin adulteration of a Chinese patent medicine or healthcare food.

Abstract: Disclosed is a method of providing a risk evaluation and diagnosis of human cancer, by examining the presence, in the volatile fraction of a human saliva sample, of a combination of particulate biochemical volatile organic compounds, which is indicative of an increased risk of developing cancer.

Abstract: The present invention relates to the use of cyanocinnamic acid derivatives as a matrix in the MALDI mass spectrometry of an analyte.

Abstract: Dicationic liquid salts and methods of using such dicationic liquid salts in techniques such as ESI-MS are provided.

Abstract: A method for the determination of the aromatic cores or building blocks of a vacuum resid by controlled fragmentation. Molecules can be generated from these building blocks.

Abstract: Disclosed here is a method for measuring the kinetics (i.e., the molecular flux rates-synthesis and breakdown or removal rates) of a plurality of proteins or organic metabolites in living systems. The methods may be accomplished in a high-throughput, large-scale automated manner, by using existing mass spectrometric profiling techniques and art well known in the fields of static proteomics and static organeomics, without the need for additional biochemical preparative steps or analytic/instrumental devices.

Abstract: A method that identifies the compounds contributing to a fish-like odor from an air conditioner and artificially reproduces the fish-like odor, and prepares a corresponding fish-like odor composition. Through the analysis method of the present invention, the compounds contributing to the fish-like odor from an air conditioner are identified and quantified. The fish-like odor is reproduced from a combination of the compounds identified by the analysis method of the present invention. The reproduced fish-like odor provides significant data required for development of an apparatus and a method for removing specific odor.