The Nature of Electrophilic Oxygen : Insights from Periodic Density Functional Theory Investigations [PDF]
, 2018 Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100\% selectivity.
arxiv +1 more source
Electromigration of bivalent functional groups on graphene [PDF]
Phys. Rev. B 89, 155414 (2014), 2014 Chemical functionalization of graphene holds promise for various applications ranging from nanoelectronics to catalysis, drug delivery, and nano-assembly. In many of these applications it is critical to assess the rates of electromigration - directed motion of adsorbates along the surface of current-carrying graphene due to the electron wind force.
arxiv +1 more source
Asymmetric Epoxidation: A Twinned Laboratory and Molecular Modeling Experiment for Upper-Level Organic Chemistry Students [PDF]
, 2015 The coupling of a student experiment involving the preparation and use of a catalyst for the asymmetric epoxidation of an alkene with computational simulations of various properties of the resulting epoxide is set out in the form of a software toolbox ...
Hii, KKM, Rzepa, HS, Smith, EH
core +3 more sources
Kinetics of in situ epoxidation of hemp oil under heterogeneous reaction conditions: an overview with preliminary results [PDF]
, 2011 Epoxidised hemp oil (EHO) was synthesised in the laboratory by reacting hemp oil (HO) with peroxyacetic acid (PA) in a batch reactor. The peroxyacetic acid was formed in situ from acetic acid (AA) and hydrogen peroxide (H2O2) in the presence on an acidic
Cardona, F. +2 more
core
Журнал органічної та фармацевтичної хімії, 2019 Aim. To compare the mechanism of the epoxidation reaction of terpenes Geraniol and Limonene with peracetic acid and perbenzoic acid based on the quantum chemical study. Materials and methods.
O. M. Agafonov +2 more
doaj +1 more source
Selective and metal-free epoxidation of terminal alkenes by heterogeneous polydioxirane in mild conditions [PDF]
Royal Society Open Science, 2018 Polydioxirane (PDOX) was prepared by the treatment of polysalicylaldehyde with Oxone and was found as a selective, highly efficient and heterogeneous reagent for epoxidation of alkenes which can be successfully isolated.
M. Kazemnejadi +4 more
doaj +1 more source
Structure and Chemistry of Graphene Oxide in Liquid Water from First Principles [PDF]
Nature Communications, 2020, 11, 1566, 2019 Graphene oxide is a rising star among 2D materials, yet its interaction with liquid water remains a fundamentally open question: experimental characterization at the atomic scale is difficult, and modelling by classical approaches cannot properly describe chemical reactivity.
arxiv +1 more source
Polyoxometalate (POM)-layered double hydroxides (LDH) composite materials: design and catalytic applications [PDF]
, 2017 Layered double hydroxides (LDHs) are an important large class of two-dimensional (2D) anionic lamellar materials that possess flexible modular structure, facile exchangeability of inter-lamellar guest anions and uniform distribution of metal cations in ...
Li, Tengfei +2 more
core +1 more source
Chemoenzymatic Epoxidation of Alkenes and Reusability Study of the Phenylacetic Acid
The Scientific World Journal, 2014 Here, we focused on a simple enzymatic epoxidation of alkenes using lipase and phenylacetic acid. The immobilised Candida antarctica lipase B, Novozym 435 was used to catalyse the formation of peroxy acid instantly from hydrogen peroxide (H2O2) and ...
Emilia Abdulmalek +5 more
doaj +1 more source
Microbial Cell Factories, 2023 Background Existing methods for alkene epoxidation are based on lipase-catalysed perhydrolysis. However, the inactivation of the expensive lipase enzyme is problematic for enzymatic epoxidation at large scales due to the use of hydrogen peroxide and ...
Lili Xu +4 more
doaj +1 more source