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The conversion of biomass to 5-hydroxymethylfurfural (HMF) holds substantial promise as a renewable energy source. Notably, HMF can be transformed into 2,5-bis(hydroxymethyl)furan (BHMF), a crucial reactant in biofuel production, but requires harsh operating conditions, H2, and precious metal catalysts. A recently reported Cannizzaro reaction of HMF to BHMF, characterized by its efficiency, mild conditions, and eco-friendliness, instead employed ionic liquids (ILs) to achieve high yields. In this study, combined quantum mechanical and molecular mechanical (QM/MM) simulations in conjunction with Metropolis Monte Carlo statistical mechanics and free-energy perturbation theory utilized M06-2X/6-31+G(d), PDDG/PM3, and the OPLS-VSIL force field to uncover important solute–solvent interactions present in the HMF to BHMF reaction pathway. The Cannizzaro reaction was examined in water and in five ILs composed of the 1-butyl-3-methylimidazolium [BMIM] cation coupled to hexafluorophosphate, tetrafluoroborate, thiocyanate, chloride, and bromide. Energetic and structural analysis of the rate-determining hydride transfer between HMF and the hydride-donor anion HMFOH− attributed the enhanced reactivity to highly organized solvent interactions featuring (1) hydrogen bonding between the ring protons of [BMIM] and the negatively charged carbonyl oxygen atoms on the transition structure, (2) favorable electrostatic interactions between the IL anions and solute hydroxyl groups, and (3) beneficial π–π stacking interactions between [BMIM] and the two aromatic rings present in HMF and HMFOH−. 

Structural Health Monitoring (SHM) aims to shift aircraft maintenance from a time-based to a condition-based approach. Within all the SHM techniques, Acoustic Emission (AE) allows for the monitoring of large areas by analyzing Lamb waves propagating in plate like structures. In this study, the authors proposed a Time Reversal (TR) methodology with the aim of reconstructing an original and unaltered signal from an AE event. Although the TR method has been applied in Narrow-Band (NwB) signal reconstruction, it fails when a Broad-Band (BdB) signal, such as a real AE event, is present. Therefore, a novel methodology based on the use of a Frequencies Compensation Transfer Function (FCTF), which is capable of reconstructing both NwB and real BdB signals, is presented. The study was carried out experimentally using several sensor layouts and materials with two different AE sources: (i) a Numerically Built Broadband (NBB) signal, (ii) a Pencil Lead Break (PLB). The results were validated numerically using Abaqus/CAE TM with the implementation of absorbing boundaries to minimize edge reflections.