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Acquisition of a high-resolution Orbitrap mass spectrometer for the discovery and structural analysis of biologically active compounds: applications in proteomics, biomarkers, synthesis, isolation, and characterization of natural products, studies of redox systems in food and enzymatic synthesis

Grant number: 09/54040-8
Support Opportunities:Multi-user Equipment Program
Duration: September 01, 2010 - March 31, 2014
Field of knowledge:Physical Sciences and Mathematics - Chemistry
Principal Investigator:Emanuel Carrilho
Grantee:Emanuel Carrilho
Host Institution: Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil
As informações de acesso ao Equipamento Multiusuário são de responsabilidade do Pesquisador responsável
EMU web page: Página do Equipamento Multiusuário não informada
Type of equipment: Tipo de Equipamento Multiusuário não informado
Manufacturer: Fabricante não informado
Model: Modelo não informado


The equipment requested in this proposal is a highresolution mass spectrometer that works in tandem (MS-MS) in order to carry out multiple fragmentation stages. The equipment consists of a quadrupole linear ion trap (linear trap quadrupole, LTQ) coupled to an “Orbitrap” spectrometer. The LTQ-Orbitrap Velos is capable of providing the high precision necessary for the structural analysis of small molecules; rapid, diverse fragmentation processes for the sequencing of proteins and peptides; and analytical sensitivity for the characterization of trace metabolites, pollutants, and drugs in a wide variety of matrices. The incorporation of this equipment at the Instrumental Chemical Analysis Center of the USP São Carlos Chemistry Institute will make it possible to obtain unprecedented results in terms of the following: the structural analysis of organic compounds of low molecular mass, originating from total synthesis, enzymatic synthesis, redox processes, plant extracts, venoms, or microorganisms; the sequencing of proteins in proteomic, clinical, and biomarker studies, as well as in structural studies, functional studies, and studies of post-translational modifications, in vivo and in vitro, by heterologous protein expression; the analytical detectability of endogenous and exogenous compounds in complex matrices, such as environmental matrices, as well as those in food and beverages; and the development of human resources that are highly qualified to conduct research using mass spectrometry. (AU)

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Scientific publications (25)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
VÍTOR F. FREIRE; GABRIELA R. SILVA; JANETE H. YARIWAKE. Targeted-Analysis of β-Carboline Alkaloids in Passionfruit (“Maracujá”) by SBSE(PDMS)-LC/Flu and UHPLC-MS. Journal of the Brazilian Chemical Society, v. 29, n. 4, p. 775-781, . (09/54040-8, 13/21886-7)
ALI, AKBAR; CORREA, ARLENE G.; ALVES, DIEGO; ZUKERMAN-SCHPECTOR, JULIO; WESTERMANN, BERNHARD; FERREIRA, MARCO A. B.; PAIXAO, MARCIO W.. An efficient one-pot strategy for the highly regioselective metal-free synthesis of 1,4-disubstituted-1,2,3-triazoles. CHEMICAL COMMUNICATIONS, v. 50, n. 80, p. 11926-11929, . (13/02311-3, 09/54040-8, 09/07281-0)
PESTANA, CEZAR RANGEL; URBACZEK, ANA CAROLINA; ALBERICI, JULIANA VIEIRA; RODRIGUES, GERSON JHONATAN; CARRILHO, EMANUEL. Metabolic profiling of human endothelial cells during autophagy assessed in a biomimetic microfluidic device model. Life Sciences, v. 172, p. 42-47, . (09/54040-8)
SANTOS, WILLY G.; PINA, JOAO; BURROWS, HUGH D.; FORBES, MALCOLM D. E.; CARDOSO, DANIEL R.. New insight into the photophysics and reactivity of trigonal and tetrahedral arylboron compounds. PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES, v. 15, n. 9, p. 1124-1137, . (12/19823-4, 11/51555-7, 09/54040-8, 15/13756-1)
TOMAZELLI COLTRO, WENDELL KARLOS; CHENG, CHAO-MIN; CARRILHO, EMANUEL; DE JESUS, DOSIL PEREIRA. Recent advances in low-cost microfluidic platforms for diagnostic applications. ELECTROPHORESIS, v. 35, n. 16, SI, p. 2309-2324, . (08/57805-2, 08/53868-0, 09/54040-8)
DE ALMEIDA, NATALIA E. C.; LUND, MARIANNE N.; ANDERSEN, MOGENS L.; CARDOSO, DANIEL R.. Beer Thiol-Containing Compounds and Redox Stability: Kinetic Study of 1-Hydroxyethyl Radical Scavenging Ability. Journal of Agricultural and Food Chemistry, v. 61, n. 39, p. 9444-9452, . (11/09273-4, 11/51555-7, 12/03916-3, 09/54040-8)
ARRIVETTI, LEANDRO DE O. R.; SCURACHIO, REGINA S.; SANTOS, WILLY G.; PAPA, THIAGO B. R.; SKIBSTED, LEIF H.; CARDOSO, DANIEL R.. Photooxidation of Other B-Vitamins as Sensitized by Riboflavin. Journal of Agricultural and Food Chemistry, v. 61, n. 31, p. 7615-7620, . (11/51555-7, 09/54040-8)
DE ZAWADZKI, ANDRESSA; ARRIVETTI, LEANDRO O. R.; VIDAL, MARLLIA P.; CATAI, JONATAN R.; NASSU, RENATA T.; TULLIO, RYMER R.; BERNDT, ALEXANDRE; OLIVEIRA, CLAYTON R.; FERREIRA, ANTONIO G.; NEVES-JUNIOR, LUIZ F.; et al. Mate extract as feed additive for improvement of beef quality. Food Research International, v. 99, n. 1, p. 336-347, . (11/51555-7, 09/54040-8)
WACHTER, NAIHARA; AQUINO, JOSE MARIO; DENADAI, MARINA; BARREIRO, JULIANA C.; SILVA, ADILSON JOSE; CASS, QUEZIA B.; BOCCHI, NERILSO; ROCHA-FILHO, ROMEU C.. Electrochemical degradation of the antibiotic ciprofloxacin in a flow reactor using distinct BDD anodes: Reaction kinetics, identification and toxicity of the degradation products. Chemosphere, v. 234, p. 461-470, . (09/54040-8, 09/17138-0, 12/13002-9)
GALLO, RAFAEL D. C.; MOMO, PATRICIA B.; DAY, DAVID P.; BURTOLOSO, ANTONIO C. B.. Catalytic Friedel-Crafts Alkylation of Electron Rich Aromatic Derivatives with alpha-Aryl Diazoacetates Mediated by Bronsted Acids. ORGANIC LETTERS, v. 22, n. 6, p. 2339-2343, . (09/54040-8, 13/50228-8, 15/22003-7, 19/05002-8)
WACHTER, NAIHARA; AQUINO, JOSE M.; DENADAI, MARINA; BARREIRO, JULIANA C.; SILVA, ADILSON J.; CASS, QUEZIA B.; ROCHA-FILHO, ROMEU C.; BOCCHI, NERILSO. Optimization of the electrochemical degradation process of the antibiotic ciprofloxacin using a double-sided beta-PbO2 anode in a flow reactor: kinetics, identification of oxidation intermediates and toxicity evaluation. Environmental Science and Pollution Research, v. 26, n. 5, p. 4438-4449, . (09/17138-0, 12/13002-9, 09/54040-8)
MENDES, TIAGO M. F.; CARRILHO, EMANUEL; GALINARO, CARLOS A.; CABRAL, FERNANDA J.; ALLEGRETTI, SILMARA M.. Biomphalaria glabrata infected with Angiostrongylus cantonensis: Proteomic changes in the snail host. Acta Tropica, v. 212, . (17/07364-9, 16/07137-0, 09/54040-8)
ZAWADZKI, A.; ALLOO, C.; GROSSI, A. B.; DO NASCIMENTO, E. S. P.; ALMEIDA, L. C.; BOGUSZ JUNIOR, S.; SKIBSTED, L. H.; CARDOSO, D. R.. Effect of hop beta-acids as dietary supplement for broiler chickens on meat composition and redox stability. Food Research International, v. 105, p. 210-220, . (11/51555-7, 09/54040-8)
MESSIAS MIRANDA, BEATRIZ NOGUEIRA; FOTORAN, WESLEY LUZETTI; CANDURI, FERNANDA; FERREIRA SOUZA, DULCE HELENA; WUNDERLICH, GERHARD; CARRILHO, EMANUEL. Heterologous expression of Homo sapiens alpha-folate receptors in E. coli by fusion with a trigger factor for enhanced solubilization. Protein Expression and Purification, v. 142, p. 75-80, . (11/16364-6, 08/57805-2, 13/15892-4, 09/54040-8)
MELO, PRISCILLA SIQUEIRA; RODRIGUES ARRIVETTI, LEANDRO DE OLIVEIRA; DE ALENCAR, SEVERINO MATIAS; SKIBSTED, LEIF H.. Antioxidative and prooxidative effects in food lipids and synergism with alpha-tocopherol of acai seed extracts and grape rachis extracts. Food Chemistry, v. 213, p. 440-449, . (11/12640-9, 14/17786-0, 09/54040-8)
FREIRE, VITOR F.; SILVA, GABRIELA R.; YARIWAKE, JANETE H.. Targeted-Analysis of beta-Carboline Alkaloids in Passionfruit ({''}Maracuja{''}) by SBSE(PDMS)-LC/Flu and UHPLC-MS. Journal of the Brazilian Chemical Society, v. 29, n. 4, p. 775-781, . (13/21886-7, 09/54040-8)
SANTOS, WILLY G.; CARDOSO, DANIEL R.; ARRIVETTI, LEANDRO DE O. R.; SCHMITT, CARLA C.; NEUMANN, MIGUEL G.. DFT, spectroscopic, and photoproduct study of 2-aminoethyldiphenylborinate and tetraphenyldiboroxane. JOURNAL OF ORGANOMETALLIC CHEMISTRY, v. 755, p. 125-133, . (11/51555-7, 12/19656-0, 09/54040-8, 12/19823-4)
MENEGOCI EUGENIO, PATRICIA DE FATIMA; ASSUNCAO, NILSON ANTONIO; SCIANDRA, FRANCESCA; AQUINO, ADRIANO; BRANCACCIO, ANDREA; CARRILHO, EMANUEL. Quantification, 2DE analysis and identification of enriched glycosylated proteins from mouse muscles: Difficulties and alternatives. ELECTROPHORESIS, v. 37, n. 2, p. 321-334, . (09/54040-8, 08/04050-4, 09/16598-7)
SANTOS, WILLY G.; SCURACHIO, REGINA S.; CARDOSO, DANIEL R.. Photochemical behavior of Safranine-Riboflavin complex in the degradation of folic acid. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, v. 293, p. 32-39, . (09/54040-8, 12/19823-4)
DIEGO P. SANGI; JULIA L. MONTEIRO; KENIA L. VANZOLINI; QUEZIA B. CASS; MARCIO W. PAIXÃO; ARLENE G. CORRÊA. Microwave-assisted synthesis of N-heterocycles and their evaluation using an acetylcholinesterase immobilized capillary reactor. Journal of the Brazilian Chemical Society, v. 25, n. 5, p. 887-889, . (09/54040-8, 09/07281-0)
DE ALMEIDA, NATALIA E. C.; DO NASCIMENTO, EDUARDO S. P.; CARDOSO, DANIEL R.. On the Reaction of Lupulones, Hops beta-Acids, with 1-Hydroxyethyl Radical. Journal of Agricultural and Food Chemistry, v. 60, n. 42, p. 10649-10656, . (11/09273-4, 11/51555-7, 09/54040-8)
PRADO, VIVIANA S.; LEITAO, RENAN C. F.; SILVA, FRANCISCO; GANO, LURDES; SANTOS, ISABEL C.; MARQUES, FABIO L. N.; PAULO, ANTONIO; DEFLON, VICTOR M.. Gallium and indium complexes with new hexadentate bis(semicarbazone) and bis(thiosemicarbazone) chelators. DALTON TRANSACTIONS, v. 50, n. 5, . (09/54011-8, 09/54040-8)
CAIUBY, CLARICE A. D.; DE JESUS, MATHEUS P.; BURTOLOSO, ANTONIO C. B.. alpha-Imino Iridium Carbenes from Imidoyl Sulfoxonium Ylides: Application in the One-Step Synthesis of Indoles. Journal of Organic Chemistry, v. 85, n. 11, p. 7433-7445, . (09/54040-8, 13/50228-8, 17/23837-4, 17/23329-9)
FERNANDES MENDES, TIAGO MANUEL; CARRILHO, EMANUEL; FONSECA SIEUVE AFONSO, ANA JULIA PINTO; GALINARO, CARLOS ALEXANDRE; CABRAL, FERNANDA JANKU; ALLEGRETTI, SILMARA MARQUES. Proteomic, metabolic and immunological changes in Biomphalaria glabrata infected with Schistosoma mansoni. International Journal for Parasitology, v. 49, n. 13-14, p. 1049-1060, . (09/54040-8, 16/07137-0, 17/07364-9)
BERNARDIM, BARBARA; BURTOLOSO, ANTONIO C. B.. A two-step synthesis of the bioprotective agent JP4-039 from N-Boc-L-leucinal. Tetrahedron, v. 70, n. 20, p. 3291-3296, . (12/22274-2, 09/54040-8, 12/04685-5)

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