Molecular Microwave Spectroscopy

Group leader
Emilio J. Cocinero
Phone
+34 946 01 2529
Address

Dpto. Quimica-Física
Facultad de Ciencia y Tecnología (UPV/EHU)
Barrio Sarriena s/n. 48940 Leioa, Bizkaia (Spain)

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Research goal

Our research focuses on the accurate structural characterisation of biomolecules and molecules of astrophysical interest and their molecular interactions by means of state-of-the-art spectroscopic techniques in the gas phase. To achieve this we use different methodologies ranging from microwave spectroscopy, laser spectroscopy and computational modelling. The group has an extensive network of national and international collaborations.

Group members
Postdoctoral Fellow
University Lecturer
PhD Student
Postdoctoral Fellow
Publications

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Mazo N, Navo CD, Peccati F, Andreo J, Airoldi C, Goldsztejn G, Çarçabal P, Usabiaga I, Sodupe M, Wuttke S, Busto JH, Peregrina JM, Cocinero EJ, Jiménez-Osés G

Conformationally Restricted β-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates
Chemistry. 2023 Feb 10;29(9):e202202913
doi: 10.1002/chem.202202913

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Hernandez-Castillo AO, Calabrese C, Fritz SM, Uriarte I, Cocinero EJ, Zwier TS

Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin
Chemphyschem. 2022 Mar 18;23(6):e202100808
doi: 10.1002/cphc.202100808

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Aran Insausti, Elena R. Alonso, Belen Tercero, José I. Santos, Camilla Calabrese, Natalja Vogt, Francisco Corzana, Jean Demaison, Jose Cernicharo, and Emilio J. Cocinero

Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium.
J. Phys. Chem. Lett. 2021, 12, 4, 1352–1359
DOI: 10.1021/acs.jpclett.0c03050

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Camilla Calabrese, Berhane Temelso, Imanol Usabiaga, Nathan A. Seifert,Francisco J. Basterretxea, Giacomo Prampolini, George C. Shields, Brooks H. Pate,Luca Evangelisti, and Emilio J. Cocinero

The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
Angew Chem Int Ed Engl . 2021 Jul 26;60(31):16894-16899.
DOI: 10.1002/anie.202103900

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C. Calabrese, I. Uriarte, A. Insausti, M. Vallejo-López, F. J. Basterretxea, S. A. Chchrane, B. G. Davis, F. Corzana, E. J. Cocinero. ACS Cent. Sci, in press (2020). (Journal Cover).

Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars.
ACS Cent. Sci. 2020, 6, 2, 293–303
DOI: 10.1021/acscentsci.9b01277

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A. Insausti, C. Calabrese, M. Parra, I. Usabiaga, M. Vallejo-López, P. Ecija, F. J. Basterretxea, J.-U. Grabow, W. Caminati, A. Lesarri and E. J. Cocinero

Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben.
Chem. Commun., 2020, 56, 6094-6097
DOI: 10.1039/d0cc00760a

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E. J. Juarez-Perez, L. K. Ono, I. Uriarte, E. J. Cocinero and Y. Qi

Degradation Mechanism and Relative Stability of Methylammonium Halide Based Perovskites Analyzed on the Basis of Acid–Base Theory.
ACS Appl. Mater. Interfaces 2019, 11, 13, 12586–12593
DOI: 10.1021/acsami.9b02374

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C. Calabrese, W. Li, G. Prampolini, L. Evangelisti, I. Uriarte, I. Cacelli, S. Melandri, E. J. Cocinero

A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2 F2 )n ⋅⋅⋅(H2 O)m
Angew. Chem. Int. Ed, 131, 8525-8530 (2019)
DOI: 10.1002/ange.201902753

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C. Calabrese, P. Écija, I. Compañón, M. Vallejo-López, Á. Cimas, M. Parra, F. J. Basterretxea, J. I. Santos, J. Jiménez-Barbero, A. Lesarri, F. Corzana, E. J. Cocinero

Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies
J. Phys. Chem. Lett. 2019, 10, 12, 3339–3345
DOI: 10.1021/acs.jpclett.9b00978

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I. Uriarte, S. Melandri, A. Maris, C. Calabrese and E. J. Cocinero Shapes

Shapes, Dynamics, and Stability of β-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase.
J. Phys. Chem. Lett. 2018, 9, 7, 1497–1502
DOI: 10.1021/acs.jpclett.8b00256

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I. A. Bermejo, I. Usabiaga, I. Compañón, J. Castro-López, A. Insausti, J. A. Fernández, A. Avenoza, J. H. Busto, J. Jiménez-Barbero, J. L. Asensio, J. M. Peregrina, G. Jiménez-Osés, R. Hurtado-Guerrero, E. J. Cocinero, and Francisco Corzana

Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition
J. Am. Chem. Soc. 2018, 140, 31, 9952-9960
DOI: 10.1021/jacs.8b04801

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I. Uriarte, A. Insausti, A. Jabri, H. Mouhib, I. Alkorta, I. Kleiner and E. J. Cocinero

Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone
J. Phys. Chem. Lett. 2018, 9, 20, 5906–5914
DOI: 10.1021/acs.jpclett.8b02339