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Themed collection Reaction Chemistry & Engineering Emerging Investigators

28 items
Editorial

Reaction Chemistry & Engineering Emerging Investigators 2019

Reaction Chemistry & Engineering Editorial Board Chair Klavs Jensen introduces the 2019 Emerging Investigators issue.

Graphical abstract: Reaction Chemistry & Engineering Emerging Investigators 2019
Minireview

Enabling tools for continuous-flow biphasic liquid–liquid reaction

This minireview offers an up-to-date overview of enabling tools for biphasic liquid–liquid reactions in flow.

Graphical abstract: Enabling tools for continuous-flow biphasic liquid–liquid reaction
Minireview

Role of hexafluoroisopropanol in C–H activation

HFIP has developed immense importance in the C–H functionalization methodology. Both the reactivity and selectivity have been vastly improved using HFIP whose H-bonding to the substrate facilitates and accelerates C–H activation. This review summarizes the chronological development of the evolution of HFIP in C–H activation along with important mechanistic details.

Graphical abstract: Role of hexafluoroisopropanol in C–H activation
Review Article

Structure, characterization, and catalytic properties of open-metal sites in metal organic frameworks

This review provides an overview of the current understanding of structure–catalytic properties of open-metal sites in metal organic framework materials.

Graphical abstract: Structure, characterization, and catalytic properties of open-metal sites in metal organic frameworks
Review Article

Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review

Origins of solvent-induced enhancement in catalytic reactivity and product selectivity are discussed with computational methods to study them.

Graphical abstract: Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review
Review Article

From metal-supported oxides to well-defined metal site zeolites: the next generation of passive NOx adsorbers for low-temperature control of emissions from diesel engines

Passive NOx adsorbers as new components to complement SCR catalysts to control cold-start NOx emissions efficiently.

Graphical abstract: From metal-supported oxides to well-defined metal site zeolites: the next generation of passive NOx adsorbers for low-temperature control of emissions from diesel engines
From the themed collection: Selective catalytic reduction of NOx
Review Article

Landscape and opportunities for active pharmaceutical ingredient manufacturing in developing African economies

This review will highlight the opportunities that exist in the localization of cutting-edge manufacturing technologies within an African context.

Graphical abstract: Landscape and opportunities for active pharmaceutical ingredient manufacturing in developing African economies
Communication

Effect of metal chlorides on glucose mutarotation and possible implications on humin formation

An in situ Raman spectroscopic kinetic study of the glucose mutarotation reaction in the presence of Lewis acids is presented herein. The effect of Lewis acids on humin formation reactions is also discussed.

Graphical abstract: Effect of metal chlorides on glucose mutarotation and possible implications on humin formation
Communication

Continuous synthesis of elastomeric macroporous microbeads

Macroporous microbeads are synthesized by microfluidic production of silica-loaded polymeric microdroplets followed by porogen removal via selective etching.

Graphical abstract: Continuous synthesis of elastomeric macroporous microbeads
Open Access Communication

Exploiting enhanced paramagnetic NMR relaxation for monitoring catalyst preparation using T1T2 NMR correlation maps

A new method to characterise the evolution of surface sites during metal-supported catalyst preparation has been developed, which exploits NMR relaxation times and their sensitivity to paramagnetic ions.

Graphical abstract: Exploiting enhanced paramagnetic NMR relaxation for monitoring catalyst preparation using T1–T2 NMR correlation maps
Communication

Single-step catalytic conversion of furfural to 2-pentanol over bimetallic Co–Cu catalysts

Catalytic conversion of furfural to 2-pentanol over Co–Cu/Al2O3 catalysts.

Graphical abstract: Single-step catalytic conversion of furfural to 2-pentanol over bimetallic Co–Cu catalysts
Paper

RAFT copolymerization of oppositely charged monomers and its use to tailor the composition of nonfouling polyampholytes with an UCST behaviour

The RAFT copolymerization of oppositely-charged monomers is studied to optimize the composition of polyampholytes with an UCST behaviour and nonfouling properties.

Graphical abstract: RAFT copolymerization of oppositely charged monomers and its use to tailor the composition of nonfouling polyampholytes with an UCST behaviour
Paper

Structured ZSM-5 coated SiC foam catalysts for process intensification in catalytic cracking of n-hexane

Structured zeolite/SiC foam catalysts provide alternative solutions to mass and heat transfer limited chemical transformations for process intensification, exemplified by cracking reactions.

Graphical abstract: Structured ZSM-5 coated SiC foam catalysts for process intensification in catalytic cracking of n-hexane
Open Access Paper

A topological model for predicting adsorption energies of polycyclic aromatic hydrocarbons on late-transition metal surfaces

A topological model for the adsorption of PAHs is derived based on an analogy with the formation enthalpies of metal complexes.

Graphical abstract: A topological model for predicting adsorption energies of polycyclic aromatic hydrocarbons on late-transition metal surfaces
Paper

Kinetics-assisted discrimination of active sites in Ru catalyzed hydrolytic dehydrogenation of ammonia borane

The kinetics-assisted method is simple yet effective in discriminating Ru edge atoms as the dominant active sites for the reaction.

Graphical abstract: Kinetics-assisted discrimination of active sites in Ru catalyzed hydrolytic dehydrogenation of ammonia borane
Open Access Paper

Development of customized 3D printed stainless steel reactors with inline oxygen sensors for aerobic oxidation of Grignard reagents in continuous flow

Development of 3D printed stainless steel reactors for the oxidation of Grignard reagents in continuous flow.

Graphical abstract: Development of customized 3D printed stainless steel reactors with inline oxygen sensors for aerobic oxidation of Grignard reagents in continuous flow
Paper

Insights into the roles of water on the aqueous phase reforming of glycerol

Microkinetic modeling using energies from DFT and scaling relations to reveal roles of water in aqueous phase reforming of glycerol.

Graphical abstract: Insights into the roles of water on the aqueous phase reforming of glycerol
Paper

NO reduction with CO over HY zeolite-supported rhodium dicarbonyl complexes: giving insight into the structure sensitivity

Mononuclear zeolite-anchored Rh(CO)2 complexes do not facilitate NO reduction with CO and groups of rhodium atoms are required to initiate and sustain NO/CO catalytic transformations.

Graphical abstract: NO reduction with CO over HY zeolite-supported rhodium dicarbonyl complexes: giving insight into the structure sensitivity
Paper

Unraveling the interactions in fast co-pyrolysis of microalgae model compounds via pyrolysis-GC/MS and pyrolysis-FTIR techniques

The pyrolysate composition, product time evolution and kinetics of fast co-pyrolysis of protein, carbohydrate and lipid surrogates are investigated to unravel the interactions among microalgae components.

Graphical abstract: Unraveling the interactions in fast co-pyrolysis of microalgae model compounds via pyrolysis-GC/MS and pyrolysis-FTIR techniques
Paper

Mechanism of oligosaccharide synthesis via a mutant GH29 fucosidase

First unbiased transition path sampling study of a glycosynthase enzyme reveals single-step mechanism with oxocarbenium-like transition state.

Graphical abstract: Mechanism of oligosaccharide synthesis via a mutant GH29 fucosidase
Paper

Immobilized tetrakis(triphenylphosphine)palladium(0) for Suzuki–Miyaura coupling reactions under flow conditions

An immobilized triphenylphosphine scaffold was prepared by precipitation polymerization and functionalized to afford a cost-effective source of solid-supported tetrakis(triphenylphosphine)palladium(0).

Graphical abstract: Immobilized tetrakis(triphenylphosphine)palladium(0) for Suzuki–Miyaura coupling reactions under flow conditions
Paper

Integrating reactive distillation with continuous flow processing

A continuous flow platform has been developed that integrates reactive distillation with modern flow reactor technology.

Graphical abstract: Integrating reactive distillation with continuous flow processing
Open Access Paper

Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation

Large scale quantum mechanical simulation systematically reveals length scales over which electronically driven interactions occur at enzyme active sites.

Graphical abstract: Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation
Paper

Decomposition kinetics for HONO and HNO2

This work presents a detailed investigation into the isomerization and decomposition of HONO and HNO2.

Graphical abstract: Decomposition kinetics for HONO and HNO2
Paper

Continuous amination of aryl/heteroaryl halides using aqueous ammonia in a Teflon AF-2400 tube-in-tube micro-flow reactor

Aqueous ammonia was applied as the ammonia source in the continuous amination of aromatic and heteroaromatic halides assisted by a Teflon AF-2400 tube-in-tube reactor to generate densely substituted aryl/heteroaryl amines in high yields.

Graphical abstract: Continuous amination of aryl/heteroaryl halides using aqueous ammonia in a Teflon AF-2400 tube-in-tube micro-flow reactor
Paper

Continuous flow processing as a tool for the generation of terpene-derived monomer libraries

A Diels–Alder reaction employing terpenes for rapid synthesis of monomer libraries under flow conditions is presented.

Graphical abstract: Continuous flow processing as a tool for the generation of terpene-derived monomer libraries
Paper

Numbering-up of capillary microreactors for homogeneous processes and its application in free radical polymerization

Different numbered-up capillary microreactor systems were assembled with commercially available parts for homogeneous processes with significant variation of fluid properties (e.g., free radical polymerization), and statistical analysis was performed to reveal its flow distribution performance.

Graphical abstract: Numbering-up of capillary microreactors for homogeneous processes and its application in free radical polymerization
Paper

Scale-up of N-alkylation reaction using phase-transfer catalysis with integrated separation in flow

Scaling-up phase-transfer catalysis in flow.

Graphical abstract: Scale-up of N-alkylation reaction using phase-transfer catalysis with integrated separation in flow
28 items

About this collection

From RCE

This collection features work that showcases reaction engineering approaches from leading scientists in the earlier stages of their independent research careers. The 2019 Reaction Chemistry & Engineering Emerging Investigators were individually nominated, by members of the journal Editorial and Advisory Boards and previous Emerging Investigators, in recognition of their potential to influence future directions in the field.

Accompanying this collection is the Emerging Investigators special issue, in which these articles will be formally published. This issue is scheduled for early 2019.

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