LASER SPECTROSCOPY MASS SPECTROMETRY GROUP			Bruno Martínez Haya Catedrático de Química Física Professor in Physical Chemistry    Department of Physical, Chemical and Natural Systems Universidad Pablo de Olavide E-41013 Seville, Spain. bmarhayupo.es
Lines of Research (click on them or see below for details):
Mass Spectrometry of Biomolecules and Polymers	Supramolecular Complexes and Molecular Recognition			Elementary Reactions of Astrophysical relevance		Statistical Mechanics of Molecular Fluids
Mass Spectrometry of Biomolecules and Polymers
MALDI-TOF PROTEOMICS FACILITY Facility aimed to provide solutions to problems in proteomics, lipidomics, genomics and metabolomics. Equipped with an UltrafleXtreme MALDI-TOF/TOF and a HCT ESI-Ion Trap-MS/MS spectrometer from Bruker Daltonics. Both spectrometers can be coupled either on-line or off-line with a nano-LC chromatography system. MALDI-imaging of tissues and surfaces, providing chemical mapping with a resolution of tens of microns is also possible. For further information and contact, check the web page of the MALDI-TOF Proteomics facility. Development of MALDI-TOF methods: Complementary to the (bio)analytical applications, we are interested in developing novel MALDI methods. We have tested different sample preparation methods, based on solvent-free approaches, as well as on ionic liquid matrices. In addition, we are exploring the use of metal and semiconductor nanoparticles to assist the laser desorption/ionization of different types of analytes. We have applied our methods to biomolecules (peptides, oligosaccharides), synthetic polymers, triazinic pesticides and asphaltene extracts from crude oils. We collaborate in this field with Luis Bañares (Universidad Complutense de Madrid, Spain), Marta Castillejo (CSIC, Madrid, Spain), Klaus Dreisewerd (University of Münster, Germany), Oliver C. Mullins (Schlumberger-Doll Research, USA).
Supramolecular Complexes and Molecular Recognition
By combining MALDI and ESI MS experiments, laser spectroscopic techniques (resonant IR multiple photon dissociation, REMPI) and vibrational dichroism, we investigate non-covalent aggregation and molecular recognition processes on model ionic systems. We focus on inclusion complexes formed by macrocycles (crown ethers, cyclodextrins, calixarenes) with metal cations, protonated molecules, such as H3O^+, NH4^+, amines and aminoacids, as well as anionic species.  Part of the work is devoted to chiral macrocycles and their enantiomeric selectivity upon complexation. We collaborate in this field with Jos Oomens (Free-electron laser FELIX, FOM, Holland) and J.J. López (University of Jaen).
Elementary and Photoinitiated Reactions of Fundamental and Astrophysical relevance
We are currently developing an ion-trapping system for the spectroscopic investigation of ionic complexes at low temperature. For the spectroscopy of the trapped ions, we have two Nd:YAG-pumped Dye laser systems yielding laser radiation in the range 220-480nm, and an infrared OPO/OPA laser system producing tunable laser pulses within the 1.5-15 micron range. We are fortunate enough to be guided into this field by Stephan Schlemmer (Köln, Germany).  I have been involved in the field of elementary reaction dynamics since the good-old times as Ph.D. student in the group of Prof. J.P. Toennies at the Max-Planck Institut für Strömungsforschung (Max-Planck Institute for Fluid Dynamics, Göttingen,1992-1996) and later on as postdoctoral researcher in the group of Javier Aoiz at the Physical Chemistry Department of the Universidad Complutense de Madrid, and as Royal Society visiting scientist in the lab of Mark Brouard (Oxford, England). Along the way, I have applied and developed molecular beam, mass spectrometry and laser spectroscopy techniques.
Statistical Mechanics of Molecular Fluids
Last, but not least, at University Pablo de Olavide I began to work on the Statistical Mechanics of anisotropic molecular fluids with different dispersive and electrostatic intermolecular interactions. In collaboration with my colleague Alejandro Cuetos, we have been looking into the Liquid Crystal phases (isotropic, nematic, smectic, hexatic, columnar) and transport properties of fluids of prolate and oblate molecules dressed with different types of interactions. We have developed a novel orientation-dependent interaction model for these molecular fluids, which combines distinct properties of the well-known Kihara and Gay-Berne pair potentials.
SELECTED PUBLICATIONS
MALDI-TOF Mass Spectrometry: “Ultraviolet laser desorption/ionization mass spectrometry of single-core and multi-core polyaromatic hydrocarbons under variable conditions of collisional cooling: insights into the generation of molecular ions, fragments and oligomers” F. Gámez, A.R. Hortal, B. Martínez-Haya, J. Soltwisch, K. Dreisewerd, Journal of Mass Spectrometry, 49 (2014) 1127–1138 “Platinum Nanoparticles as Photoactive Substrates for Mass Spectromerty and Spectroscopy Sensors” M. Cueto, M. Piedrahita, C. Caro, Bruno Martínez-Haya, M. Sanz,, M. Oujja, M. Castillejo, Journal of Physical Chemistry C, 118 (2014) 11432-11439 “Platinum Nanoparticles Prepared by Laser Ablation in Aqueous Solutions: Fabrication and Application to Laser Desorption Ionization” M. Cueto, M. Sanz,, M. Oujja, F. Gámez, Bruno Martínez-Haya, M. Castillejo, Journal of Physical Chemistry C, 115 (2011) 22217-22224 "One-step and two-step ultraviolet and infrared laser desorption ionization mass spectrometry of asphaltenes" P. Hurtado,  F. Gámez, B. Martínez-Haya, Energy & Fuels, 24 (2010) 6067-6073. "Nanoparticle TiO2 films prepared by pulsed laser deposition: laser desorption and cationization of model adsorbates" F. Gámez, A. Plaza-Reyes, P. Hurtado, E. Guillén, J.A. Anta, B. Martínez-Haya, S. Pérez, M. Sanz, M. Castillejo, J.G. Izquierdo, L. Bañares, Journal of Physical Chemistry C, 114 (2010) 17409-17415. "UV-vis-NIR laser desorption/ionization of synthetic polymers assisted by gold nanospheres, nanorods and nanostars" F. Gámez, P. Hurtado,  P.M. Castillo, C. Caro, A. R. Hortal, P. Zaderenko, B. Martínez-Haya, Plasmonics, 5 (2010) 125. "Solvent-free MALDI investigation of the cationization of linear polyethers with alkali metals" A. R. Hortal, P. Hurtado, B. Martínez-Haya, A. Arregui, L. Bañares, Journal of Physical Chemistry B, 112 (2008) 8530-8535. "Contrasting perspective on asphaltene molecular weight; this Comment vs. the Overview of A.A. Herod, K.D. Bartle, R. Kandiyoti" O.C. Mullins, B. Martínez-Haya, A.G. Marshall, Energy & Fuels, 22 (2008) 1765-1773. "Matrix-Assisted Laser Desorption Mass Spectrometry of gas-phase Peptide-Metal Complexes" A.R. Hortal, P. Hurtado, B. Martínez-Haya, Applied Physics A 93 (2008) 935-939 "Poly(ethylene glycol) cationization with alkali metals in matrix-assisted laser desorption ionization investigated with the solvent-free method" A.R. Hortal, P. Hurtado, B. Martínez-Haya, A. Arregui, L. Bañares, Applied Physics A 92 (2008) 859-863 Supramolecular complexes: “Chiral Recognition of Aminoacid Enantiomers by a Crown Ether: Chiroptical IR-VCD Response and Computational Study” J.R. Avilés-Moreno, M.M. Quesada-Moreno, J.J. López-González, B. Martínez-Haya, Journal of Physical Chemistry B 117 (2013) 9362-9370 “Cations in a Molecular Funnel: Vibrational Spectroscopy of Isolated Cyclodextrin Complexes with Alkali Metals” F. Gámez, P. Hurtado, A.R. Hortal, B. Martínez-Haya, G. Berden, and J. Oomens, ChemPhysChem 14 (2013) 400-407 “Multipodal coordination of a tetracarboxylic crown ether with NH4^+: a vibrational spectroscopy and computational study“ P. Hurtado, F. Gámez, S. Hamad, B. Martínez-Haya, J.D. Steill, J. Oomens, Journal Chemical Physics 136 (2012) 114301 “Conformational landscape of a chiral crown ether, a vibrational circular dichroism spectroscopy and computational study” R. Avilés Moreno, F. Partal Ureña, J.J. López González, F. Gámez, B. Martínez-Haya, Tetrahedron Asymmetry 23 (2012) 294-299 “High Resolution Rotational Spectroscopy of a Cyclic Ether” F. Gámez, B. Martínez-Haya, S. Blanco, J.C. López, J.L. Alonso, Journal of Physical Chemistry Letters 3 (2012) 482-485 "Vibrational study of isolated 18-crown-6 ether complexes with alkaline-earth metal cations" F. Gámez, P. Hurtado,  B. Martínez-Haya, G. Berden, J. Oomens, International Journal of Mass Spectrometry, 308 (2011) 217-224 "Crown Ether Complexes with H3O^+ and NH4^+: Proton Localization and Proton Bridge Formation" P. Hurtado,  F. Gámez, S. Hamad, B. Martínez-Haya, J.D. Steill, J. Oomens, Journal of Physical Chemistry A, 115 (2011) 7275-7282 "Gas phase complexes of cyclic and linear polyethers with alkali cations" P. Hurtado, A.R. Hortal, F. Gámez, S. Hamad, B. Martínez-Haya, Physical Chemistry Chemical Physics 12 (2010) 13752-13758. "Emergence of Symmetry and Chirality in Crown ether complexes with alkali metal cations" B. Martínez-Haya, P. Hurtado,  A.R. Hortal, S. Hamad, J.D. Steill, J. Oomens, Journal of Physical Chemistry A, 114 (2010)  7048-7054. Elementary Reaction Dynamics: "Theoretical study of the dynamics of Cl+O3 reaction I. Ab initio potential energy surface and quasiclassical trajectory results" J.F. Castillo, F.J. Aoiz, B. Martnez-Haya Physcial Chemistry Chemical Physics,13 (2011) 8537-8548 "Quasiclassical determination of reaction probabilities as a function of the total angular momentum" F.J. Aoiz, V.Sáez-Rábanos, B.Martínez-Haya, T.González-Lezana, Journal Chemical Physics, 123 (2005)  094101. "Photodissociation and Multiphoton Dissociative Ionisation Processes in CH3S2CH3 at 193 nm Studied using Velocity-map Imaging" B. Martínez-Haya, M.J. Bass, M. Brouard, C. Vallance, I. Torres, J. Barr. Journal of Chemical Physics, 120 (2004)  11042 "Angular momentum alignment of Cl(^2P3/2) in the 308 nm photolysis of Cl2 determined using Fourier moment velocity-map imaging" M.J. Bass,  M. Brouard, A.P. Clark, C. Vallance and B. Martínez-Haya, Physical Chemistry Chemical Physics, 5 (2003) 856 Statistical Mechanics of Molecular Fluids: “Liquid crystal phase diagram of soft repulsive rods and its mapping on the hard repulsive reference fluid A. Cuetos, B. Martínez-Haya, Molecular Physics, (2015) doi: 10.1080/00268976.2014.996191 "Phase Behavior of Hard Colloidal Platelets using Free Energy Calculations"  M. Marechal,  A. Cuetos, B. Martínez-Haya, M. Dijkstra Journal of Chemical Physics, 134 (2011) 094501 "Nematic stability of discotic molecules with orientation-dependent interactions" B. Martínez-Haya, A. Cuetos Physical Review E, 81 (2010) 020701 1-4 "Columnar Phases of discotics with orientation-dependent interactions"  B. Martínez-Haya, A. Cuetos Journal of Chemical Physics, 131 (2009) 074901 1-8 "Simulation study of discotic molecules in the vicinity of the isotropic-liquid crystal transition"  B. Martínez-Haya, A. Cuetos Molecular Simulation, 35 (2009) 1077-1083. "Columnar phases of Discotic Spherocylinders" A. Cuetos, B. Martínez-Haya, Journal of Chemical Physics, 129 (2008) 214706 "Stability of Nematic and Smectic phases in rod-like mesogens with orientation-dependent attractive interactions" B. Martínez-Haya, A. Cuetos, Journal of Physical Chemistry B, 111 (2007) 8150-8157