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Multi-User Equipment approved in grant 2014/15962-5: ion trap mass spectrometer modified to perform infrared vibrational spectroscopy (IRMPD)

Grant number: 15/08539-1
Support Opportunities:Multi-user Equipment Program
Duration: October 01, 2015 - September 30, 2017
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
Principal Investigator:Thiago Carita Correra
Grantee:Thiago Carita Correra
Host Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Associated research grant:14/15962-5 - Reaction mechanism of asymmetric catalysts by mass spectrometry and gas-phase vibrational ion spectroscopy, AP.JP
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:Caracterização de Materiais - Espectrometria - De massas
Manufacturer: Fabricante não informado
Model: Modelo não informado


The instrument requested consists in the coupling of a infrared tunable laser system to a 3D ion trap mass spectrometer specially modified to allow trapped ions to be irradiated by infrared photons, causing ion dissociation and allowing the acquisition of vibrational spectra of gas-phase ions. This technique, when coupled to the ion trap's ion sources, allows conformational studies of species in solution, adding an orthogonal dimension for identification and elucidation of structures beyond the m/z ratio. This technique may be used in many research areas, from solvation to reaction intermediates and the identification of biomolecues that may be of interest for national and international research groups. (AU)

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Scientific publications (22)
(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)
CORRERA, THIAGO CARITA; FERNANDES, ANDRE SANTOS; REGINATO, MARCELO MOTA; DUCATI, LUCAS COLUCCI; BERDEN, GIEL; OOMENS, JOS. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, H-1-NMR and theoretical calculations. Physical Chemistry Chemical Physics, v. 19, n. 35, p. 24330-24340, . (15/08541-6, 15/11769-9, 15/08539-1, 14/21930-9, 14/15962-5)
DA SILVA, CASSIO PACHECO; PIOLI, RENAN MORAES; LIU, LIU; ZHENG, SHASHA; ZHANG, MENGJIAO; DE MEDEIROS SILVA, GUSTAVO THALMER; TEIXEIRA CARNEIRO, VANIA MARIA; QUINA, FRANK H.. Improved Synthesis of Analogues of Red Wine Pyranoanthocyanin Pigments. ACS OMEGA, v. 3, n. 1, p. 954-960, . (15/08539-1)
TATIANA C. PENNA; THIAGO C. CORRERA. TÉCNICAS AVANÇADAS PARA A DIFERENCIAÇÃO DE ISÔMEROS POR ESPECTROMETRIA DE MASSAS. Química Nova, v. 43, n. 8, p. 1125-1137, . (15/08539-1, 17/20262-0, 14/15962-5)
SOUZA, DIEGO H. P.; GUIMARAES, ROBSON R.; CORRERA, THIAGO C.; ZAMARION, VITOR M.. Investigation of the photocatalytic activity of titanium dioxide films under visible light measured by electrospray mass spectrometry. NEW JOURNAL OF CHEMISTRY, v. 42, n. 22, p. 18259-18268, . (17/09469-2, 14/15962-5, 15/08539-1, 16/18354-1)
OBEID, GUILHERME; MORAES, GUSTAVO O.; PENNA, TATIANA C.; SCHENBERG, LEONARDO A.; DUCATI, LUCAS C.; CORRERA, THIAGO C.. Solvation effects on glyphosate protonation and deprotonation states evaluated by mass spectrometry and explicit solvation simulations. Journal of Chemical Physics, v. 158, n. 5, p. 12-pg., . (20/10246-0, 19/12808-9, 17/20262-0, 17/17750-3, 15/08539-1, 19/18727-0, 19/25634-9, 20/08894-4, 21/06726-0, 14/15962-5)
FERNANDES, ANDRE S.; OBEID, GUILHERME; LAURENO, TIAGO J. N.; CORRERA, THIAGO C.. Protonated and Sodiated Cyclophosphamide Fragmentation Pathways Evaluation by Infrared Multiple Photon Dissociation Spectroscopy. Journal of Physical Chemistry A, v. N/A, p. 10-pg., . (15/08539-1, 19/25634-9, 20/08894-4, 21/06726-0, 14/15962-5)
RIBEIRO, FRANCISCO W. M.; RODRIGUES-OLIVEIRA, ANDRE F.; CORRERA, THIAGO C.. Benzoxazine Formation Mechanism Evaluation by Direct Observation of Reaction Intermediates. Journal of Physical Chemistry A, v. 123, n. 38, p. 8179-8187, . (14/15962-5, 15/08539-1, 17/18485-1)
RIBEIRO, FRANCISCO W. M.; OMARI, ISAAC; THOMAS, GILIAN T.; PAUL, MATHIAS; WILLIAMS, PETER J. H.; MCINDOE, J. SCOTT; CORRERA, THIAGO C.. Microstructural Analysis of Benzoxazine Cationic Ring-Opening Polymerization Pathways. MACROMOLECULAR RAPID COMMUNICATIONS, v. N/A, p. 7-pg., . (21/06726-0, 17/18485-1, 23/01180-4, 22/00498-8, 19/25634-9, 19/16026-5, 15/08539-1, 14/15962-5)
ESTEVES, LARISSA C.; PINHEIRO, AMANDA C.; PIOLI, RENAN M.; PENNA, TATIANA C.; BAADER, WILHELM J.; CORRERA, THIAGO C.; BASTOS, ERICK L.. Revisiting the Mechanism of Hydrolysis of Betanin. Photochemistry and Photobiology, v. 94, n. 5, p. 853-864, . (15/18474-4, 14/22136-4, 15/08539-1, 14/15962-5, 16/21445-9)
MASSON, MARIA ANGELICA C.; KARPFENSTEIN, RENAN; DE OLIVEIRA-SILVA, DIOGO; TEULER, JEAN-MARIE; ARCHIREL, PIERRE; MAITRE, PHILIPPE; CORRERA, THIAGO C.. Evaluation of Ca2+ Binding Sites in Tacrolimus by Infrared Multiple Photon Dissociation Spectroscopy. Journal of Physical Chemistry B, v. 122, n. 43, p. 9860-9868, . (15/08539-1, 14/15962-5)
PRINCIVAL, CLEVERSON R.; ARCHILHA, MARCOS V. L. R.; DOS SANTOS, ALCINDO A.; FRANCO, MAURICIO P.; BRAGA, ATAUALPA A. C.; RODRIGUES-OLIVEIRA, ANDRE F.; CORRERA, THIAGO C.; CUNHA, RODRIGO L. O. R.; COMASSETO, JOAO V.. Stability Study of Hypervalent Tellurium Compounds in Aqueous Solutions. ACS OMEGA, v. 2, n. 8, p. 4431-4439, . (14/15962-5, 15/08539-1)
BATISTA, PATRICK R.; PENNA, TATIANA C.; DUCATI, LUCAS C.; CORRERA, THIAGO C.. p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics. Physical Chemistry Chemical Physics, v. 23, n. 35, . (17/20262-0, 20/10246-0, 19/25634-9, 18/07308-4, 15/08539-1, 14/15962-5)
PENNA, TATIANA C.; CERVI, GUSTAVO; RODRIGUES-OLIVEIRA, ANDRE F.; YAMADA, BRUNO D.; LIMA, RAFAEL Z. C.; MENEGON, JAIR J.; BASTOS, ERICK L.; CORRERA, THIAGO C.. Development of a photoinduced fragmentation ion trap for infrared multiple photon dissociation spectroscopy. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, . (14/15962-5, 15/08539-1, 16/19698-6, 19/06391-8, 17/20262-0, 18/20592-3)
FERNANDES, ANDRE SANTOS; MAITRE, PHILIPPE; CORRERA, THIAGO CARITA. Evaluation of the Katsuki-Sharpless Epoxidation Precatalysts by ESI-FTMS, CID, and IRMPD Spectroscopy. Journal of Physical Chemistry A, v. 123, n. 5, p. 1022-1029, . (15/11769-9, 14/15962-5, 15/08539-1)
TRIPODI, GUILHERME L.; CORRERA, THIAGO C.; ANGOLINI, CELIO F. F.; FERREIRA, BRUNO R. V.; MAITRE, PHILIPPE; EBERLIN, MARCOS N.; ROITHOVA, JANA. The Intermediates in Lewis Acid Catalysis with Lanthanide Triflates. EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, v. 2019, n. 22, p. 3560-3566, . (14/15962-5, 15/08539-1)
RODRIGUES-OLIVEIRA, ANDRE F.; BATISTA, PATRICK R.; DUCATI, LUCAS C.; CORRERA, THIAGO C.. Analyzing the N-H+center dot center dot center dot pi interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCl, and NBO. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 8, . (19/25634-9, 14/15962-5, 15/08539-1, 18/07308-4)
RODRIGUES-OLIVEIRA, ANDRE F.; RIBEIRO, FRANCISCO W. M.; CERVI, GUSTAVO; CORRERA, THIAGO C.. Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions. ACS OMEGA, v. 3, n. 8, p. 9075-9085, . (14/15962-5, 17/18485-1, 16/19698-6, 15/08539-1)
MENDES, LETICIA FRANCINE; SOUZA E SILVA, ANGELA RODRIGUES; BACIL, RAPHAEL PRATA; PIRES SERRANO, SILVIA HELENA; ANGNES, LUCIO; LONGO CESAR PAIXAO, THIAGO REGIS; DE ARAUJO, WILLIAM REIS. Forensic electrochemistry: Electrochemical study and quantification of xylazine in pharmaceutical and urine samples. Electrochimica Acta, v. 295, p. 726-734, . (17/10522-5, 15/08539-1, 16/16477-9, 12/06642-1)
PAPA SPADAFORA, BRUNA; MOREIRA RIBEIRO, FRANCISCO WANDERSON; MATSUSHIMA, JULLYANE EMI; ARIGA, ELAINE MIHO; OMARI, ISAAC; SOARES, PRISCILA MACHADO ARRUDA; DE OLIVEIRA-SILVA, DIOGO; VINHATO, ELISANGELA; MCINDOE, J. SCOTT; CARITA CORRERA, THIAGO; et al. Regio- and diastereoselective Pd-catalyzed aminochlorocyclization of allylic carbamates: scope, derivatization, and mechanism. ORGANIC & BIOMOLECULAR CHEMISTRY, v. 19, n. 25, . (19/16026-5, 16/21676-0, 15/08539-1, 16/17328-7, 17/18485-1, 14/15962-5, 19/25634-9)
PENNA, TATIANA C.; CERVI, GUSTAVO; RODRIGUES-OLIVEIRA, ANDRE F.; YAMADA, BRUNO D.; LIMA, RAFAEL Z. C.; MENEGON, JAIR J.; BASTOS, ERICK L.; CORRERA, THIAGO C.. Development of a photoinduced fragmentation ion trap for infrared multiple photon dissociation spectroscopy. RAPID COMMUNICATIONS IN MASS SPECTROMETRY, v. 34, p. 12-pg., . (18/20592-3, 17/20262-0, 16/19698-6, 19/06391-8, 15/08539-1, 14/15962-5)
TAVARES, LAIS C.; PENNA, TATIANA C.; JOHNSON, MARK; CORRERA, THIAGO C.. Evaluation of protonation sites in two MacMillan catalysts in solution by gas phase predissociation spectroscopy and electronic structure calculations. ARKIVOC, v. N/A, p. 23-pg., . (17/20262-0, 15/08539-1, 14/15962-5)

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