BackBrowsing by Author "Cocinero, Emilio J."
Now showing items 1-12 of 12
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Anestesiko baten bilaketa konformalizazioa errotazio espektroskopia erabiliz
(2015-04-01)[es]En este Trabajo Fin de Grado se ha determinado la estructura de un anestésico, fluoroxeno,utilizando espectroscopia de rotación. -
High conductance values in pi-folded molecular junctions
; ; ; Fernández González, José Andrés
; ; ; ; Mateo-Alonso, Aurelio (Nature Publishing, 2017-05-18)
Folding processes play a crucial role in the development of function in biomacromolecules. Recreating this feature on synthetic systems would not only allow understanding and reproducing biological functions but also ... -
Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose
; ; ; ; ; Fernández González, José Andrés (ACS, 2017-02-24)
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Material solidoen deskonposizio termikoan igortzen diren molekula txikien determinazioa mikrouhin-espektroskopiaren bidez
(Servicio Editorial de la Universidad del País Vasco/Euskal Herriko Unibertsitatearen Argitalpen Zerbitzua, 2021)The qualitative determination of small molecules that reach the gas phase after the thermal decomposition of solar cell materials, have been carried out by means of microwave spectroscopy (MW). In this case, the evidence ... -
Modeling the tyrosine–sugar interactions in supersonic expansions: glucopyranose–phenol clusters
; ; ; ; ; Fernández González, José Andrés (RSC, 2016-03-14)
Sugars are fundamental building blocks for living organisms and their interaction with proteins plays a central role in fundamental biological processes, such as energy storage and production, post-transductional modifications ... -
Modern rotational spectroscopy as a versatile tool in chemistry
(2018-06-04)La espectroscopía de microondas estudia transiciones entre estados rotacionales de moléculas o complejos intermoleculares en fase gas. En esta Tesis Doctoral, ilustramos los diferentes grados de aplicación de la espectroscopía ... -
Rotational spectroscopy as a chemical tool of the study of sugars and molecular interactions.
(2022-07-15)La espectroscopía rotacional es la técnica de mayor resolución que proporciona datos estructurales de las moléculas y pequeños agregados en fase gas, así como información sobre sus dinámicas moleculares. Esta tesis está ... -
Structure and intermolecular interactions of relevant molecules
(2017-06-28)En el presente proyecto de tesis un nuevo modus operandi es descrito, siendo este aplicable a estudios de propiedades químicas fundamentales y la generación de conocimiento base. Estos conocimientos fundamentales son en ... -
The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations
(Royal Society of Chemistry, 2016-06-21)Fructose and deoxyribose (24 and 19 atoms, respectively) are too large for determining accurate equilibrium structures, either by high-level ab initio methods or by experiments alone. We show in this work that the ... -
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
; Temelso, Berhane; ; Seifert, Nathan A.; Basterrechea Elguezabal, Francisco José; Prampolini, Giacomo; Shields, George C.; Pate, Brooks H.; Evangelisti, Luca; (Wiley, 2021-07-26)
The role of non-covalent interactions (NCIs) has broadened with the inclusion of new types of interactions and a plethora of weak donor/acceptor partners. This work illustrates the potential of chirped-pulse Fourier transform ... -
The SKA as a Prebiotic Molecule Detector
(Frontiers Media, 2022)[EN] One of the theories for the origin of life proposes that a significant fraction of prebiotic material could have arrived to Earth from outer space between 4.1 and 3.8 billion years ago. This suggests that those prebiotic ... -
Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition
; ; ; ; ; Fernández González, José Andrés; ; ; Jiménez Barbero, Jesús ; ; ; ; ; ; (ACS, 2018-07-13)
The tumor-associated carbohydrate Tn antigens include two variants, αGalNAc-O-Thr and αGalNAc-O-Ser. In solution, they exhibit dissimilar shapes and dynamics and bind differently to the same protein receptor. Here, we ...