This study reports pollutant remediation by a catalyst-loaded, β-cyclodextrin cross-linked polymer monolith. The monolith enabled removal of the pollutant to a residual concentration with no environmental effect and conversion of the adsorbed pollutant into useful compounds with enriched concentration, allowing for the adsorption capacity regeneration.Exploring materials with high catalytic performance toward hydrogen evolution reaction (HER) is of importance for the development of clean hydrogen energy, and their surface structure is essential for this function. In this study, using density functional theory (DFT), we reported a comprehensive study on the phase stability, surface structures, electronic properties and HER catalytic properties of the low-index surfaces of Ni3S2, including the (0001), (101[combining macron]0), (101[combining macron]1), (112[combining macron]0) and (112[combining macron]1) planes with different terminations. Bortezomib inhibitor Our calculated results demonstrate that S-rich surfaces and several stoichiometric surfaces of Ni3S2 are thermodynamically stable, including (0001)A, (101[combining macron]0)A, (112[combining macron]0)C, (101[combining macron]0)C, (101[combining macron]0)B and (112[combining macron]1)A surfaces. Among the six stable surface structures, the (0001)A, (101[combining macron]0)B and (101[combining macron]0)C surfaces of Ni3S2 are indispensable for high HER performance because of their high catalytic activity, suitable potential and high thermodynamic stability. The calculated changes of Gibbs free energy (ΔGH*) of the Top S2 site on (0001)A, Hollow Ni2S3S4 site on (101[combining macron]0)C, and Bridge Ni1Ni3 site and Hollow Ni2S1S2 site on (101[combining macron]0)B are -0.143, 0.122, 0.012, and -0.112 eV, respectively, comparable with or even better than those of Pt(111) (-0.07 eV). In addition, the possible Volmer-Heyrovsky and Volmer-Tafel processes on the considered surfaces are also investigated. When the overpotential is in the range of 0 to 300 mV, the density of active sites on the (101[combining macron]0)B surface of Ni3S2 is found to be the highest. This work provides significant insights on the surface selectivity of Ni3S2 toward HER and provides a route to optimize the performance of Ni3S2 with exposed surfaces.C-H arylation with heterogeneous palladium was investigated. The surface oxidation of Pd nanoparticles with a hypervalent iodine reagent, [Ph2I]BF4, resulted in the generation of Pd(ii)-aryl-oxo clusters, which were characterized as the crucial intermediate.NMR spectroscopy is one of the basic tools for molecular structure elucidation. Unfortunately, the resolution of the spectra is often limited by inter-nuclear couplings. The existing workarounds often alleviate the problem by trading it for another deficiency, such as spectral artefacts or difficult sample preparation and, thus, are rarely used. We suggest an approach using the coupling deconvolution in the framework of compressed sensing (CS) spectra processing that leads to a major increase in resolution, sensitivity, and overall quality of NUS reconstruction. A new mathematical description of the decoupling by deconvolution explains the effects of thermal noise and reveals a relation with the underlying assumption of the CS. The gain in resolution and sensitivity for challenging molecular systems is demonstrated for the key HNCA experiment used for protein backbone assignment applied to two large proteins intrinsically disordered 441-residue Tau and a 509-residue globular bacteriophytochrome fragment. The approach will be valuable in a multitude of chemistry applications, where NMR experiments are compromised by the homonuclear scalar coupling.Femtosecond pump-probe photoelectron spectroscopy measurements using an extreme ultraviolet probe have been made on the photodissociation dynamics of UV (269 nm) excited CH3I. The UV excitation leads to population of the 3Q0 state which rapidly dissociates. The dissociation is manifested as shifts in the measured photoelectron kinetic energy that map the extending C-I bond. The increased energy available in the XUV probe relative to a UV probe means the dynamics are followed over the chemically important region as far as C-I bond lengths of approximately 4 Å.Assessment of the solution equilibria of [bis(pyridine)iodine(i)]+ complexes by ESI-MS and NMR reveals the preference of iodine(i) to form complexes with a more basic pyridine. Mixtures of symmetric [bis(pyridine)iodine(i)]+ complexes undergo statistical ligand exchange, with a predominant entropic driving force favoring asymmetric systems. The influence of ligand basicity, concentration, temperature, and ligand composition is evaluated. Our findings are expected to facilitate the investigations, and the supramolecular and synthetic applications of halonium ions' halogen bonds.Using a combination of a synthetic substrate analogue and product standard, MmfL, a homologue of the γ-butyrolactone biosynthetic enzyme AfsA, was shown to catalyse the condensation of dihydroxyacetone phosphate with a β-ketoacyl thioester to form a phosphorylated butenolide intermediate in the biosynthesis of the methylenomycin furans, which induce methlenomycin antibiotic production in Streptomyces coelicolor A3(2). AfsA homologues are also involved in the biosynthesis of 2-akyl-4-hydroxy-3-methyl butenolide inducers of antibiotic production in other Streptomyces species, indicating that diverse signalling molecules are assembled from analogous phosphorylated butenolide intermediates.Brombuterol is a new emerging β-adrenergic agonist that has been used as an additive in animal feed to enhance the lean meat-to-fat ratio. Due to its potential harm to consumers, it is urgent to develop sensitive, simple and rapid analytical methods to monitor brombuterol residue. In this study, a competitive lateral flow immunochromatographic assay (FLIA) based on surface-enhanced Raman scattering (SERS) was developed for ultrasensitive quantitative determination of brombuterol in swine liver, pork and feed samples. Ag@Au core-shell bimetallic nanoparticles with the highest SERS enhancement were synthesized, characterized and used as the substrate for preparation of the immunoprobe AgMBA@Au-Ab, in which the Raman reporter mercaptobenzoic acid (MBA) was embedded between the core-shell layers and monoclonal antibodies against brombuterol were immobilized on the surfaces of nanoparticles. The presence of brombuterol was identified through a color change on testing lines. In addition, quantitative detection of brombuterol was achieved by measuring the characteristic Raman peak intensity of MBA in the immunoprobes captured by the coating antigen.