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Scientific EMU: Acquisition of a 600 MHz heteronuclear Nuclear Magnetic Resonance spectrometer for structural and dynamical characterization of biomolecule/nanomaterials and quantum information - a multiuser facility

Abstract

Nuclear Magnetic Resonance Spectroscopy (NMR) is a methodology that brings together an impressive amount of techniques that can be used for numerous applications in basic, applied science and technological development. For example, there are very high resolution and correlation techniques for the determination of complex structures such as those present in extracts from natural sources (plants, microorganisms, marine organisms, etc.), macromolecules (proteins, nucleic acids, etc.), synthetic compounds, nanoparticle and advanced materials. Furthermore, with this technique, it is possible to obtain spectroscopic and temporal resolution to determine the dynamics free species in electrolytes or in nanoparticles. It is also possible to manipulate an ensemble of spins for different applications in quantum information and to demonstrate the fundamentals of a quantum computer. Thus, we request in this project an NMR spectrometer operating at 600 MHz (14.04 T), with unique features in the São Paulo State, with liquid and solid state probes, three channels, and temperature control for experiments in three major areas: structural and dynamic characterization of biomolecules, nanomaterials and quantum information. There are also certain features that more modern equipment has, such as very high rotation at a magic angle, field gradient experiments and quantum coherence in three channels, with simultaneous detection. We can highlight as non-conventional functionalities ultra-high magic angle spinning rates, high fidelity three channel setup for gradient and quantum coherence experiments (including 1H-19F-X experiments) with multichannel simultaneous acquisition and broad range of temperature control (-150oC to 150oC in liquid state and -40oC to 80oC in solid state). It is important to highlight that with less than two decades of existence of UFABC, it already has excellent scientific productivity. This accomplishment is partially due to the NMR equipment of the institution - a Varian 500 MHz NMR spectrometer with a magnetic field of 11.7 T, containing two channels (X and H/F bands). This equipment, though with limited functionalities in comparison to the requested one, has been used in its fullness by the institution since its installation. However, as the only equipment of the institution and serving for many research fields, it has been overloaded. In addition, the equipment is more than fifteen years old leading to difficulties in maintenance (namely, Varian was acquired by Agilent, which in turn ended its technical assistance in fabric with NMR equipments). Therefore, with this infrastructure with unique features in the state of São Paulo, to be made available to the entire scientific community of the state, UFABC will be able to universalize the access to the NMR techniques and establish itself as another center of excellence in advanced research located in the ABC region of São Paulo, favoring the training of high-level human resources and collaborating with the scientific and technological development of the state and country. This proposal is grounded by a research community already established in NMR methodologies, by a scientific team experienced in the management of multiuser facilities and research projects of great amplitude, and by institutions base and associated with tradition in the management of multiuser equipments and holds conditions to maintain this infrastructure. (AU)

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