Abstract: A method (100) for performing chemical analyses includes digesting a reference sample to obtain precursors associated with a peptide in the sample (110), separating the precursors to determine values associated with retention times of the separated precursors (120), ionizing the separated precursors to form precursor ions (130), mass analyzing the precursor ions to determine values associated with mass and with ion intensity (140), and storing a <fcfile of the polypeptide defined by the determined values (150). A subject sample is analyzed (160), and the polypeptide is detected in the subject sample in response to a match between subject-sample and profile values. An apparatus (900) for performing chemical analyses includes a chromatography module (904), a mass-spectrometry module (912), and a computer module (926).

Abstract: The invention generally provides methods to determine the extent to which a compound interferes with steroid metabolism, comprising a novel biomarker of a felinine derivative. The invention also provides such novel felinine derivative biomarker.

Abstract: Methods and compositions for identification of candidate antigen-specific variable regions as well as generation of antibodies or antigen-binding fragments that could have desired antigen specificity are provided. For example, in certain aspects methods for determining amino acid sequences of serum antibody CDR and abundancy level are described. In some aspects, methods for determining nucleic acid sequences of antibody variable region sequences and frequency are provided. Furthermore, the invention provides methods for identification and generation of antibody or antigen-binding fragments that comprise highly-represented CDR.

Abstract: The present invention provides a protein analysis method using a combination of two or more kinds of stable isotopes of a compound represented by the formula (I): wherein R1, R2 and R3 are the same or different and each is hydrogen, halogen or alkyl, or a salt thereof, as a labeling compound to produce a difference in the mass of the same kind of protein contained in each sample.

Abstract: Embodiments of a method for demonstrating type and/or source of hair damage comprises extracting protein fragments from a hair sample with an aqueous solution, testing the resulting protein fragments with the MALDI-MS test, and then either comparing the results between a damaged sample and an undamaged sample or comparing the results between a damaged sample and a list of known marker protein fragments to identify the type and/or source of the damage.

Abstract: A preparation method and its use of derivatisation reagent for detecting L-carnitine or D-carnitine are provided. The present reagent is stable. It can be used for detecting L-carnitine or D-carnitine accurately and sensitively. That is to say, the reagent is applied to detecting the amount of synthesized or natural L-carnitine and the amount of mixing D-carnitine. The compound reagent is used for determining the chiral isomers of chemicals, biological reagents, health care reagents, cosmetic, body fluids and various foods, which contain L-carnitine or/and D-carnitine, and optical isomers of other chiral amino acids.

Abstract: Disclosed are magnetic nanosensors or transducers that permit measurement of a physical parameter in an analyte via magnetic reasonance measurements, in particular of non-agglomerative assays. More particularly, in certain embodiments, the invention relates to designs of nanoparticle reagents and responsive polymer coated magnetic nanoparticles. Additionally provided are methods of use of nanoparticle reagents and responsive polymer coated magnetic nanoparticles for the detection of a stimulus or an analyte with NMR detectors.

Abstract: The present invention provides several methods of determining values of physical or chemical properties of polymers. In these methods, at least two polymer training samples are provided. Characteristics of the polymer microstructures of the training samples are correlated with values of physical or chemical properties of the training samples. These correlations are subsequently applied to the respective characteristics of polymer test samples in order to determine the values of physical or chemical properties of the test samples.

Abstract: A method is described for preparing a mixture for quality control of 0.1 g glycine tablets for sublingual application. The mixture for quality control includes a 100:0.5 ratio of ethanol to porphyrized tablets, each tablet containing 0.1 g microcapsules of non-agglomerated crystals of amino-acetic acid covered with a polymeric film of water-soluble methylcellulose, each tablet further containing 0.001 g of magnesium stearate. The process for preparing the mixture includes dissolution of the tablet in ethanol for 20 minutes and is carried out at a temperature of 40° C. in an apparatus using a paddle rotation speed of 200 revolutions per minute. After the mixture is dissolved, it is allowed to stand for 10 minutes at room temperature, and then a light transmission coefficient is measured at 700±2 nm for a 10 mm thick layer of the mixture. A transmission value within the limits of 90% to 100% compared with 50% ethanol corresponds to the proper quality.

Abstract: The present invention relates to a free radical initiator and a method for peptide sequencing using the same. Compared with diazo or peroxy functionalized precursors, the precursors using the present compounds are chemically more robust and can generate radical species by homolytic cleavage upon thermal activation, enabling sequencing of a wider variety of peptides. In addition, the present invention makes it feasible to sequence peptides carrying disulfide bonds.

Abstract: A method of detection of amino acid sequences and/or identification of proteins and peptides is based on derivatization of peptides or proteins using compounds comprising two or more sulfonyl groups, and subsequent analysis of the derivatized analytes using a mass spectrometer in its negative mode of operation.

Abstract: The present invention generally relates to an apparatus for structural mapping of a macromolecule comprising an amount of persulfide effective to generate hydroxyl radicals upon contact with an aqueous solution. The present invention further relates to methods for structural mapping a macromolecule in an aqueous solution and methods for structural mapping a plurality of macromolecules in parallel, wherein each macromolecule is in a separate aqueous solution.

Abstract: This invention relates, inter alia, to detecting and/or measuring succinylacetone and one or more additional biological analytes using mass spectrometry.

Abstract: The present invention provides an approach for developing an algorithm for determining the effectiveness of anti-viral drugs based on a comprehensive analysis of paired phenotypic and genotypic data guided by phenotypic clinical cut-offs. In one aspect, the algorithm allows one to provide a patient with effective treatment. It helps predict whether an infected individual will respond to treatment with an anti-viral compound, thereby allowing an effective treatment regimen to be designed without subjecting the patient to unnecessary side effects. Also, by avoiding the administration of ineffective drugs, considerable time and money is saved.

Abstract: The present invention provides a method for analyzing the C-terminal amino acid sequence of a peptide by using a reaction for successively releasing the C-terminal amino acids of the peptide, which method can suppress, when successively releasing the C-terminal amino acids of a peptide of long amino acid length, such a undesirable side reaction as cleavage of peptide bond in the intermediate position of the peptide and can carry out the chemical treatment thereof under widely applicable conditions; In the method, a dry sample of a peptide with long amino acid length is beforehand subjected to an N-acylation treatment; by using a reaction reagent where an alkanoic acid anhydride is combined with a small amount of a perfluoroalkanoic acid, successive release of C-terminal amino acids is conducted under mild conditions; a hydrolysis treatment is applied; then, selective fragmentization at site of arginine residue is performed by digestion by trypsin; thereafter, decreases in molecular weight are measured for the

Abstract: Methods, reagents and kits are described for the diagnosis of a female reproductive condition, based on the detection of an alteration in a NALP7-encoding nucleic acid or a NALP7 polypeptide, relative to a corresponding wild-type NALP7-encoding nucleic acid or NALP7 polypeptide.

Abstract: Molecular bioprofiles comprising biologically correlated and relevant analytes that impact the biological state of a human health condition compared to a control population are provided. These molecular bioprofiles are useful in several ways including but not limited to, monitoring a disease or condition's progression, evaluating the impact of an agent or compound on a disease or condition, evaluating the impact of a lifestyle change on a disease or condition and assessing the risk of the disease or condition to a subject. Type II diabetes molecular bioprofiles are of particular interest.

Abstract: The present invention generally relates to Magnetic Resonance Imaging (MRI) analysis of the location, presence, and/or quantity of a particular molecule or material. In some embodiments, the invention relates to compositions and methods for determination of an analyte, wherein a compositions may produce an MRI signal that can be affected by the presence of a particular composition (e.g., analyte). In a particular embodiment, the composition comprises a protein. The invention also provides related nucleic acid molecules, polypeptides, and fragments thereof. Compositions of the invention may exhibit reduced toxicity and may be readily delivered in vivo. Various embodiments of the invention may be useful as sensors, diagnostic tools, and the like.

Abstract: Methods and devices for detecting the presence of a NO forming material (e.g., a material that can form, or is, a nitrogen monoxide molecule) are disclosed based on detection of fluorescence exhibited by NO molecules in a first vibrationally excited state of a ground electronic state. Such excited NO molecules can be formed, for example, when small amounts of explosives are photodissociated. By inducing fluorescence of the material, a distinct signature of the explosive can be detected. Such techniques can be performed quickly and with a significant standoff distance, which can add to the invention's utility. In another aspection of the invention, methods and apparatus for generating electromagnetic radiation are disclosed. Such methods and apparatus can be used in conjunction with any detection method disclosed herein.

Abstract: The present invention pertains to the field of toxicological as for risk stratification of chemical compounds. Specifically, it relates to methods for (i) diagnosing, (ii) determining whether a compound is capable of inducing, (iii) identifying a drug for treating increased peroxisomal proliferation. Furthermore, the present invention relates to a data collection comprising characteristic values of at least five metabolites, a data storage medium comprising said data collection, and a system and a device for diagnosis. Finally, the present invention pertains to the use of a group of metabolites or means for the determination thereof for the manufacture of diagnostic devices or compositions.

Abstract: Mass defect labeled peptides and methods of identifying peptides are provided. In particular, embodiments of the present disclosure include mass defect labels for polypeptides that include at least one cysteine and/or at least one tryptophan and methods of using the mass defect labels to identify polypeptides. One embodiment, among others, includes a mass defect labeled peptide including at least one cysteine residue labeled with 2,4-dibromo-acetanilide. Another embodiment, among others, includes a mass defect labeled peptide including at least one tryptophan residue labeled with 4,6-dibromo-2-trifluoromethylphenylsulfenyl chloride.

Abstract: A specific, non-synonymous SNP in the Prnp gene encoding the bovine prion protein affects the susceptibility of bovine animals to bovine spongiform encephalopathy (BSE). Depending on the number of octapeptide repeat units present in the Prnp gene, the position of the SNP is either nucleotide 631 of exon 3 (codon 211) when the Prnp gene comprises six octapeptide repeat region sequences, nucleotide 607 of exon 3 (codon 203) when the Prnp gene comprises five octapeptide repeat region sequences, or nucleotide 655 of exon 3 (codon 219) when the Prnp gene comprises seven octapeptide repeat region sequences. Alleles of the bovine Prnp wherein the SNP at these positions is lysine (K) at the corresponding amino acids (i.e., 211, 203 or 219) in the bovine prion protein are all indicative of increased susceptibility to BSE in comparison to alleles which encode glutamic acid (E) at the same position.

Abstract: The determination (test, diagnosis) of pancreatic cancer can be performed with high accuracy by detecting a fucosylated sugar chain (N-glycan) present in a specific site of the human haptoglobin and using an amount of the fucosylated sugar chain as a tumor marker for pancreatic cancer.

Abstract: The disclosure provides a method for assaying for a target analyte, comprising providing a plurality of samples which may comprise the target analyte, wherein each sample is differentially labelled with a mass label or a combination of mass labels, wherein the mass labels are from a set of mass labels, wherein each mass label is an isobaric mass label comprising a mass spectrometrically distinct mass marker group, such that the samples can be distinguished by mass spectrometry and determining from the mass spectrum the quantity of the target analyte in each sample.

Abstract: A method for analyzing a plurality of amino acids in a fluid sample by a user is provided comprising the steps of introducing the sample into a buffer solution, passing the sample in the buffer solution through a separation column and setting a lithium ion concentration in the buffer to no more than 0.3 mols/L up to a time before ?-aminoisobutyric acid (?-AiBA) is eluted.

Abstract: The present invention provides liquid chromatography-mass spectrometry methods and kits for the specific, sensitive and rapid detection as well as quantitation of free amino acids in samples following High Pressure Liquid Chromatography (HPLC) separation.

Abstract: Methods of evaluating molecular isomers of branched-chain amino acids are featured. The methods can include: derivatizing one or more molecular isomers of branched-chain amino acids in a sample comprising a branched-chain amino acid labeled with one or more heavy atoms as a first standard; adding, to the sample, after derivatization, a nonderivatized or derivatized branched chain amino acid that is labeled with one or more heavy atoms, as a second standard; evaluating the sample using tandem mass spectrometry; and detecting peaks indicative of derivatized and nonderivatized forms of one or more branched-chain amino acids in the sample.

Abstract: A strategy, or method, for the quantitative determination of enantiomeric purity that combines lin situ enantiomer diastereomerization', spectroscopy, and chemometric modeling. Spectral data for samples of known enantiomeric composition is subjected to a type of multivariate regression modeling known as partial least squares (“PLS-I”) regression. The PLS-I regression produces a mathematical model that can be used to predict the enantiomeric composition of a set of samples of unknown enantiomeric purity. In this strategy, the guest-host complexation utilizes improved chiral selector molecules, including chiral amines and chiral alcohols such as phenylethylamine and 1,2-propanediol, that form ion pairs or covalent bonds with the chiral analytes.

Abstract: The present invention provides a method for analyzing the C-terminal amino acid sequence of a peptide by using a reaction for successively releasing the C-terminal amino acids of the peptide, which method can suppress, when successively releasing the C-terminal amino acids of a peptide of long amino acid length, such a undesirable side reaction as cleavage of peptide bond in the intermediate position of the peptide and can carry out the chemical treatment thereof under widely applicable conditions; In the method, a dry sample of a peptide with long amino acid length is beforehand subjected to an N-acylation treatment; by using a reaction reagent where an alkanoic acid anhydride is combined with a small amount of a perfluoroalkanoic acid, successive release of C-terminal amino acids is conducted under mild conditions; a hydrolysis treatment is applied; then, selective fragmentization at site of arginine residue is performed by digestion by trypsin; thereafter, decreases in molecular weight are measured for the

Abstract: A method is described for preparing a mixture for quality control of 0.1 g glycine tablets for sublingual application. The mixture for quality control includes a 100:1 ratio of water to porphyrized tablets, each tablet containing 0.101 g microcapsules of non-agglomerated crystals of amino-acetic acid covered with polymeric film of water-soluble methylcellulose, each tablet further comprising 0.001 g magnesium stearate. The process of dissolution takes 20 minutes and is carried out at a temperature of 37° C. in an apparatus using a paddle rotation speed of 150 revolutions per minute. After the mixture is dissolved, it is allowed to stand for 10 minutes, then a light transmission coefficient is measured at 700±2 nm for a 10 mm thick layer of the mixture. A transmission value within the range of 50% to 70% compared to purified water corresponds to the proper quality.

Abstract: A method of modifying protein samples that comprises combining the sample with a peroxycarbonate solution and inserting the sample into a mass spectrometer. The present invention also includes methods of N-terminus characterization.

Abstract: This invention pertains to methods, mixtures, kits and/or compositions for the determination of analytes by mass analysis using unique labeling reagents or sets of unique labeling reagents. The labeling reagents can be isomeric or isobaric and can be used to produce mixtures suitable for multiplex analysis of the labeled analytes.

Abstract: A method of facilitating analysis of a peptide in a mass spectrometer comprising derivatizing the C-terminus of the peptide with an amino acid residue via a reaction with a carbodiimide reagent, yielding a derivative peptide, ionizing the derivative peptide with a double charge, and fragmenting the ionized derivative peptide in a mass spectrometry system, wherein binary fragments of the ionized derivative each include a charge, facilitating sequence analysis of the peptide.

Abstract: The present application concerns donor-specific antibody libraries derived from a patient donor who has suffered from, or is suffering from one or more diseases discussed herein. The present application also concerns the method of making and using the donor-specific antibodies. The present application further concerns the neutralizing antibodies obtained from the donor-specific antibody libraries and the methods of using these antibodies for the prevention/treatment of human disease.

Abstract: Methods for diagnosing Alzheimer's Disease by detection of fragments of nectin-1 are described. Nectin-1 is shown to be a substrate for proteases associated with the onset of Alzheimer's Disease, including ?-secretase, ?-secretase and BACE1 or a BACE1-like protease. The fragments produced by the action of these and other proteases on Nectin-1 can be used to diagnosis Alzheimer's Disease or a predilection towards Alzheimer's Disease.

Abstract: A method and system are disclosed for identifying and/or locating complex patterns in an amino acid sequence stored in a computer file or database. According to an aspect of the present invention, techniques are provided to facilitate queries of protein databases. For protein descriptions received in response to the queries, embodiments of the present invention may scan the received protein descriptions to identify and locate Replikin patterns. A Replikin pattern is defined to be a sequence of 7 to about 50 amino acids that include the following three (3) characteristics, each of which may be recognized by an embodiment of the present invention: (1) the sequence has at least one lysine residue located six to ten amino acid residues from a second lysine residue; (2) the sequence has at least one histidine residue; and (3) at least 6% of the amino acids in the sequence are lysine residues.

Abstract: A method for predicting treatment response of a type II diabetes patient to rosiglitazone is provided. The method involves at least one sample from a patient having type II diabetes and analyzing biomarkers predictive of a patient who will respond to treatment with rosiglitazone. The biomarkers include, at least, interleukin-8, histidine, citrate. These biomarkers are identified in at least one classification analyses selected from the group consisting of a majority-vote based classifier and support-vector machine (SVM) classifier. Also provided is a method for predicting treatment response of a type II diabetes patient to glyburide at 8 weeks post-initiation of therapy. The method involves obtaining a sample from a type II diabetes patient who has been treated with glyburide for about 4 weeks and analyzing biomarkers predictive of a patient who will respond to treatment with glyburide at 8 weeks. The biomarkers useful in this method include, at least, sphingomyelin 23:1 and L-phenylalanine.

Abstract: The present invention relates to a free radical initiator and a method for peptide sequencing using the same. Compared with diazo or peroxy functionalized precursors, the precursors using the present compounds are chemically more robust and can generate radical species by homolytic cleavage upon thermal activation, enabling sequencing of more various peptides. In addition, the present invention makes it feasible to sequence peptides carrying disulfide bonds.

Abstract: Novel methods of increasing the biosynthesis of aromatic amino acids and compositions containing the precursors of said aromatic amino acids or nicotinamide and methods of use thereof. In addition, methods of monitoring the therapeutic effects of an anti-oxidant therapy by measuring serum protein thiols as a surrogate or predictor of such therapy are disclosed.

Abstract: A composition for treating damaged tissue and promoting healthy tissue growth, healing and tissue regeneration, wherein said composition comprises an extracellular matrix compound, a surface-active lipid, one or more enantiomerically pure L-amino acids or glycine, a hydrophilic surfactant with a high HLB, as well as vitamins, minerals or trace elements. Not only does it maintain good health, but the components are non-intrusive, bio-safe, non-coalescent and can mimic normally occurring stem-cells within a body. When applied to diseased tissues, the subject compositions can stimulate, facilitate, and accelerate protein synthesis for the regeneration of diseased organs and tissues. The healing efficacy of these tissue components gives us further appreciation of the protective action of human tissue over and above and other than the immune protective system or perhaps an integral component part of the immune system.

Abstract: A microfluidic processing device includes a tablet comprising a reagent, where the tablet is configured to fit within at least one chamber of the processing device. In addition, in some embodiments, at least two tablets are disposed within a single process chamber of the processing device. Further, in some embodiments, each tablet may comprise one or more different types of reagents. In some embodiments, the tablet is a microtablet including a greatest dimension of less than about five millimeters.

Abstract: A method for predicting the likelihood of developing ASD and ASD-related diseases in a subject is disclosed. The method includes the steps of measuring the level of homocysteine, a homocysteine precursor or a homocysteine metabolite in the subject and evaluating the likelihood of developing ASD and ASD-related diseases based on the result of measurement. A subject is deemed to have a high risk of developing ASD and ASD-related diseases if the level of homocysteine, the homocysteine precursor or the homocysteine metabolite in the subject is at or below a threshold level. Also disclosed are a composition for reducing the risk of developing ASD, ASD-related diseases and adult neurological abnormalities and a method for determining a vaccination schedule in a subject.

Abstract: The present invention is to provide a method for cleavage of peptidic bond at C terminal of peptide and a method for determination of C terminal amino acid sequence of peptide without the decrease of the sensitivity and with preventing the subsidiary reaction. The method for cleavage of peptidic bond at C terminal of peptide according to the present invention is characterized as follows: A method for cleavage of peptidic bond at C terminal of peptide comprising the steps of: reacting a peptide with a solution of perhalogenated carboxylic acid containing alcohol to esterify glutamic acid residue of said peptide; and reacting said peptide with alkanoic acid anhydride to obtain C terminal-deleted peptide in which the amino acid residue of said peptide at C terminal is sequentially deleted.

Abstract: Low molecular weight (LMW) peptides have been discovered that are indicative of neurological conditions, such as Alzheimer's Disease (AD), cognitive impairment and brain microhemmorhages. Evaluating patient samples for the presence of such LMW peptides is an effective means of detecting neurological conditions and monitoring the progression of the disease. The LMW peptides are particularly useful in detecting neurological conditions during the early stages without invasive procedures.

Abstract: Molecular sensing of target molecules is performed by using an electrode for molecular sensing in which detecting molecules which can shift a surface potential of the electrode by an interaction with the target molecules are bound directly or via coupling molecules to surface hydroxyl groups on a conductive metal oxide. By this molecular sensing, specific target molecules can be detected selectively and stably with high accuracy. It is also possible to detect an enantiomer selectively and stably with high accuracy. The present invention can provide a chemical sensing system which is useful in fields such as medicines, environments and foods.

Abstract: The invention is based on the discovery that the presence of a discordant helix in a protein or peptide is predictive of that protein or peptide's ability to form amyloid. The invention includes methods for detecting discordant helices and methods of screening for compounds that stabilize the ?-helix of a discordant helix-containing polypeptide. Compounds discovered using these methods are useful for treating or preventing disorders in which amyloid is produced. Such disorders include Alzheimer's disease and prion-associated disorders.

Abstract: The invention relates to compounds of formula I: where a, R1, and R3-6 are as defined in the specification, or a pharmaceutically acceptable salt thereof. The compounds of formula I are serotonin and norepinephrine reuptake inhibitors. The invention also relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

Abstract: It is intended to provide a method by which a substance having a phosphate group can be easily detected from a biological sample or the like, a method by which a phosphorylated amino acid residue is easily identified and a compound which can be used in the methods because of having a high coordinate bond forming capacity with a substance having a phosphate group.

Abstract: A method for detecting amino acids in body fluids is described. The method includes derivatizing the body fluid amino acids (e.g. plasma amino acids), separating the derivatized amino acids by liquid chromatography followed by and subjecting the identification by mass spectrometry. The identity of each amino acid from the body fluid is determined by comparing to a set of structurally similar amino acid standards, which preferably are added to the body fluid sample as internal standards. Use of the method of diagnose an individual with a metabolic disorder is also provided.

Abstract: The present teachings provide methods for analyzing one or more amine-containing compounds in one or more samples using isobaric labels and parent-daughter ion transition monitoring (PDITM). In various embodiments, the methods comprise the steps of: (a) labeling one or more amine-containing compounds with different isobaric tags from a set of isobaric tags, each isobaric tag comprising a reporter ion portion; (b) combining at least a portion of each of the isobarically labeled amine-containing compounds to produce a combined sample; (c) subjecting at least a portion of the combined sample to PDITM; (d) measuring the ion signal of one or more of the transmitted reporter ions; and (e) determining the concentration of one or more of the isobarically labeled amine-containing compounds based at least on a comparison of the measured ion signal of the corresponding reporter ion to one or more measured ion signals of a standard compound.