Search Results(11,170 results)
Understanding the liquid structure of [N1888][TFSI] via polarizable molecular dynamics
Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide, [N1888][TFSI], is an ionic liquid (IL) with potential use in electrochemical and gas separation applications. The local structure of quaternary ammonium-based ILs ultimately gives r.... Read More
Rapid characterization of lignin to predict aromatic monomer yields
Lignin valorization via catalytic depolymerization and biological conversion could substantially improve the economics of lignocellulosic biorefineries through the production of value-added products from lignin’s phenolic monomers. To value incoming .... Read More
Bioproduction of triacetic acid lactone by a highly active Burkholderia polyketoacyl-CoA thiolase
Triacetic acid lactone (TAL) is a platform chemical widely used in the synthesis of food additives, fragrances, polymers, and other industrial chemicals. It is naturally produced by 2-pyrone synthase (2-PS), a type III polyketide synthase (PKS) from .... Read More
Lanthanide coordination compounds of the chelating verdazyl 1,3-dipyridyl-5-isopropyl-6-oxoverdazyl
Lanthanide ions have unique magnetic properties resulting from both unpaired electrons and significant unquenched orbital angular momentum. The resulting anisotropy can give rise to slow relaxation of magnetization and single molecule magnet (SMM) be.... Read More
Food safety applications of reversible guanylhydrazone antimicrobial agents
Guanylhydrazones, an emerging class of broad-spectrum antimicrobial agents, are promising alternatives to traditional preservatives, disinfectants, food processing aids and antibiotics. When diluted in water, hydrazones dissociate to relatively inact.... Read More
Designing for degradability: Waste-derived bioproducts with reduced hazards and environmental persistence
Bioproducts derived from agricultural coproducts are increasingly sought as sustainable alternatives to petroleum-derived plastics and active ingredients. How a bioproduct is prepared can influence its hazard properties, particularly its environmenta.... Read More
New polymer composites based on chitosan and bile acids in the presence and absence of laponite
Synthesis of chitosan derivatives with deoxycholic acid were prepared by ionic and ionotropic gelation, adding DCA to the aqueous phase of chitosan during the synthesis process. The hydrogels obtained showed self-aggregation with formation of vesicle.... Read More
Computational studies of the role of geometry in radical-radical interactions mediated by copper(I) ions
Though copper(I) ions are themselves not magnetic, they can mediate magnetic interactions between coordinated radicals. Since the radical-radical interaction is strongly geometry dependent, and the geometry of copper(I) is very flexible, the opportun.... Read More
Why is this ligand weird? Understanding the coordination chemistry of verdazyl free radicals
The basic ideas of ligand field theory have been developed for almost 100 years and provide a solid foundation for understanding the chemistry and spectroscopy of transition metal compounds. The effect of ligands on the metal ion can be conveniently .... Read More
High energy spectroscopy of the coordination compounds of verdazyl ligands. Tools to probe unusual electronic structures
Coordination compounds of the radical ligand 1,3-dipyridyl-5-isopropyl-6-oxoverdazyl (dipyvd) show a variety of unusual electronic structures. In particular the iron compound [Fe(dipyvd)2]2+ undergoes spin crossover upon .... Read More
Metal–organic framework derived copper catalysts for efficient hydrogenolysis of lignin into monomeric phenols
Reductive catalytic fractionation (RCF) of lignocellulosic biomass has emerged as a leading lignin valorization strategy. Herein, we present a copper-based catalyst (CuO/C) derived from a metal organic backbone (HKUST-1) with excellent catalytic perf.... Read More
Development of light-responsive polymer materials embedded with photochromic units
Dynamic photochromic dyes are highly sought-after for their tunable optical properties across various applications. However, the commonly used approach of adding photochromic dyes to bulk materials often results in issues like aggregation, dye leachi.... Read More
New insights into coacervation: self-assembly of zwitterionic polysulfobetaine for multifunctional applications
Self-assembling through coacervation is a simple process where oppositely charged polymers are brought together in an aqueous solution. This process involves a liquid-liquid phase separation that can be controlled by external factors such as pH, temp.... Read More
Selective capture and membrane filtration of per- and polyfluoroalkyl substances (PFAS) through graphene oxide synthesis for water purification applications
PFAS or poly-fluoroalkyl substances are highly persistent once released into the environment and do not easily break down due to their complex fluorinated chemical structure. These small molecules can quickly diffuse into plants or animals’ bloodstre.... Read More
Blended learning in physical chemistry laboratory module to facilitate students’ self-directed learning
The COVID-19 pandemic has enormously impacted on our perspectives on educational approaches in laboratory chemistry modules. As gradually having been recovered from the pandemic, curriculum designs on laboratory chemistry have become more diverse and.... Read More
Synthesizing quadruply bonded metal halide complexes for interrogation of electron bond energetics
Two electrons in two orbitals give rise to four states. When the orbitals are weakly coupled as in the case for the dxy orbitals of quadruple bond species, two of the states are diradical in character with electrons residing in separate or.... Read More
Homogenously dispersed co-doping of cobalt and iron into nanostructured manganese dioxide: Promoting oxygen activation for toluene elimination
Oxygen activation is a crucial step in the catalytic degradation of volatile organic compounds (VOCs). Herein, a series of nanostructured Co-Fe-doped-δ-MnO2 catalysts (Co-Fe-δ-MnO2) with homogenously dispersed was in-situ.... Read More
Influence of feature dimensions on the resolution of single-entity sensing of emerging pollutants
Emerging pollutants (EPs) are substances that possess potentially high environmental risk but are yet to be regulated. The identification of EPs, as well as to determine their priority, remains a huge challenge due to the existence of large amount of.... Read More
Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders
Given the role of human intuition in current drug design efforts, crowd-sourced ‘citizen scientist’ games have the potential to greatly expand the pool of potential drug designers. Here, we introduce ‘Drugit’, the small molecule design mode of the on.... Read More
Evaluation of lignin and cellulose-containing biomass for the remediation of heavy metals from contaminated waterways
Heavy metals, some of which are radioactive, are widespread in the environment as a result of both naturally occurring and anthropogenic processes. Previous research has focused on using inorganic materials to remove such metal. However, there is als.... Read More