Juan A. Aguilar

Bio: Juan A. Aguilar is an academic researcher from Durham University. The author has contributed to research in topics: Protonation & Nuclear magnetic resonance spectroscopy. The author has an hindex of 30, co-authored 76 publications receiving 3611 citations. Previous affiliations of Juan A. Aguilar include University of Edinburgh & University of York.

Reversible Interactions with para-Hydrogen Enhance NMR Sensitivity by Polarization Transfer

Abstract: The sensitivity of both nuclear magnetic resonance spectroscopy and magnetic resonance imaging is very low because the detected signal strength depends on the small population difference between spin states even in high magnetic fields. Hyperpolarization methods can be used to increase this difference and thereby enhance signal strength. This has been achieved previously by incorporating the molecular spin singlet para-hydrogen into hydrogenation reaction products. We show here that a metal complex can facilitate the reversible interaction of para-hydrogen with a suitable organic substrate such that up to an 800-fold increase in proton, carbon, and nitrogen signal strengths are seen for the substrate without its hydrogenation. These polarized signals can be selectively detected when combined with methods that suppress background signals.

Neutrino emission from the direction of the blazar TXS 0506+056 prior to the IceCube-170922A alert

Abstract: A high-energy neutrino event detected by IceCube on 22 September 2017 was coincident in direction and time with a gamma-ray flare from the blazar TXS 0506+056. Prompted by this association, we investigated 9.5 years of IceCube neutrino observations to search for excess emission at the position of the blazar. We found an excess of high-energy neutrino events, with respect to atmospheric backgrounds, at that position between September 2014 and March 2015. Allowing for time-variable flux, this constitutes 3.5σ evidence for neutrino emission from the direction of TXS 0506+056, independent of and prior to the 2017 flaring episode. This suggests that blazars are identifiable sources of the high-energy astrophysical neutrino flux.

Pure Shift 1H NMR: A Resolution of the Resolution Problem?†

Abstract: Suppressing multiplet structure in 1H??NMR spectra offers a large improvement in spectral resolution (see picture), equivalent to the use of a spectrometer in the GHz range. Such ldquopure shiftrdquo techniques are readily extended to multidimensional methods, for example DOSY.

Simultaneously Enhancing Spectral Resolution and Sensitivity in Heteronuclear Correlation NMR Spectroscopy

Abstract: BIRD's eye view: Adding periodic BIRD J-refocusing (BIRD=bilinear rotation decoupling) to data acquisition in an HSQC experiment causes broadband homonuclear decoupling, giving a single signal for each proton chemical shift. This pure shift method improves both resolution and signal-to-noise ratio, without the need for special data processing.

Anion Recognition and Sensing: The State of the Art and Future Perspectives

Abstract: Anion recognition chemistry has grown from its beginnings in the late 1960s with positively charged ammonium cryptand receptors for halide binding to, at the end of the millennium, a plethora of charged and neutral, cyclic and acyclic, inorganic and organic supramolecular host systems for the selective complexation, detection, and separation of anionic guest species. Solvation effects and pH values have been shown to play crucial roles in the overall anion recognition process. More recent developments include exciting advances in anion-templated syntheses and directed self-assembly, ion-pair recognition, and the function of anions in supramolecular catalysis.

A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels

Abstract: This paper reviews recent progress made in identifying electrocatalysts for carbon dioxide (CO2) reduction to produce low-carbon fuels, including CO, HCOOH/HCOO−, CH2O, CH4, H2C2O4/HC2O4−, C2H4, CH3OH, CH3CH2OH and others. The electrocatalysts are classified into several categories, including metals, metal alloys, metal oxides, metal complexes, polymers/clusters, enzymes and organic molecules. The catalyts' activity, product selectivity, Faradaic efficiency, catalytic stability and reduction mechanisms during CO2 electroreduction have received detailed treatment. In particular, we review the effects of electrode potential, solution–electrolyte type and composition, temperature, pressure, and other conditions on these catalyst properties. The challenges in achieving highly active and stable CO2 reduction electrocatalysts are analyzed, and several research directions for practical applications are proposed, with the aim of mitigating performance degradation, overcoming additional challenges, and facilitating research and development in this area.

Chemistry of MRI Contrast Agents: Current Challenges and New Frontiers

Abstract: Tens of millions of contrast-enhanced magnetic resonance imaging (MRI) exams are performed annually around the world. The contrast agents, which improve diagnostic accuracy, are almost exclusively small, hydrophilic gadolinium(III) based chelates. In recent years concerns have arisen surrounding the long-term safety of these compounds, and this has spurred research into alternatives. There has also been a push to develop new molecularly targeted contrast agents or agents that can sense pathological changes in the local environment. This comprehensive review describes the state of the art of clinically approved contrast agents, their mechanism of action, and factors influencing their safety. From there we describe different mechanisms of generating MR image contrast such as relaxation, chemical exchange saturation transfer, and direct detection and the types of molecules that are effective for these purposes. Next we describe efforts to make safer contrast agents either by increasing relaxivity, increasing resistance to metal ion release, or by moving to gadolinium(III)-free alternatives. Finally we survey approaches to make contrast agents more specific for pathology either by direct biochemical targeting or by the design of responsive or activatable contrast agents.

Multimessenger observations of a flaring blazar coincident with high-energy neutrino IceCube-170922A

Abstract: INTRODUCTION Neutrinos are tracers of cosmic-ray acceleration: electrically neutral and traveling at nearly the speed of light, they can escape the densest environments and may be traced back to their source of origin. High-energy neutrinos are expected to be produced in blazars: intense extragalactic radio, optical, x-ray, and, in some cases, γ-ray sources characterized by relativistic jets of plasma pointing close to our line of sight. Blazars are among the most powerful objects in the Universe and are widely speculated to be sources of high-energy cosmic rays. These cosmic rays generate high-energy neutrinos and γ-rays, which are produced when the cosmic rays accelerated in the jet interact with nearby gas or photons. On 22 September 2017, the cubic-kilometer IceCube Neutrino Observatory detected a ~290-TeV neutrino from a direction consistent with the flaring γ-ray blazar TXS 0506+056. We report the details of this observation and the results of a multiwavelength follow-up campaign. RATIONALE Multimessenger astronomy aims for globally coordinated observations of cosmic rays, neutrinos, gravitational waves, and electromagnetic radiation across a broad range of wavelengths. The combination is expected to yield crucial information on the mechanisms energizing the most powerful astrophysical sources. That the production of neutrinos is accompanied by electromagnetic radiation from the source favors the chances of a multiwavelength identification. In particular, a measured association of high-energy neutrinos with a flaring source of γ-rays would elucidate the mechanisms and conditions for acceleration of the highest-energy cosmic rays. The discovery of an extraterrestrial diffuse flux of high-energy neutrinos, announced by IceCube in 2013, has characteristic properties that hint at contributions from extragalactic sources, although the individual sources remain as yet unidentified. Continuously monitoring the entire sky for astrophysical neutrinos, IceCube provides real-time triggers for observatories around the world measuring γ-rays, x-rays, optical, radio, and gravitational waves, allowing for the potential identification of even rapidly fading sources. RESULTS A high-energy neutrino-induced muon track was detected on 22 September 2017, automatically generating an alert that was distributed worldwide within 1 min of detection and prompted follow-up searches by telescopes over a broad range of wavelengths. On 28 September 2017, the Fermi Large Area Telescope Collaboration reported that the direction of the neutrino was coincident with a cataloged γ-ray source, 0.1° from the neutrino direction. The source, a blazar known as TXS 0506+056 at a measured redshift of 0.34, was in a flaring state at the time with enhanced γ-ray activity in the GeV range. Follow-up observations by imaging atmospheric Cherenkov telescopes, notably the Major Atmospheric Gamma Imaging Cherenkov (MAGIC) telescopes, revealed periods where the detected γ-ray flux from the blazar reached energies up to 400 GeV. Measurements of the source have also been completed at x-ray, optical, and radio wavelengths. We have investigated models associating neutrino and γ-ray production and find that correlation of the neutrino with the flare of TXS 0506+056 is statistically significant at the level of 3 standard deviations (sigma). On the basis of the redshift of TXS 0506+056, we derive constraints for the muon-neutrino luminosity for this source and find them to be similar to the luminosity observed in γ-rays. CONCLUSION The energies of the γ-rays and the neutrino indicate that blazar jets may accelerate cosmic rays to at least several PeV. The observed association of a high-energy neutrino with a blazar during a period of enhanced γ-ray emission suggests that blazars may indeed be one of the long-sought sources of very-high-energy cosmic rays, and hence responsible for a sizable fraction of the cosmic neutrino flux observed by IceCube.