Themed collection Emerging Investigator Series

52 items
Perspective

Global opportunities and challenges on net-zero CO2 emissions towards a sustainable future

Artistic representation of CO2 emissions from various sources into the atmosphere, and its consequence on the global climatic conditions.

Graphical abstract: Global opportunities and challenges on net-zero CO2 emissions towards a sustainable future
From the themed collection: Emerging Investigator Series
Open Access Minireview

State-of-the-art and challenges towards a Molecular Solar Thermal (MOST) energy storage device

In this minireview, the recent advances and limitations of MOlecular Solar Thermal (MOST) energy storage technology are discussed, including a discussion of the photoisomerization and the catalytic back-conversion reactions.

Graphical abstract: State-of-the-art and challenges towards a Molecular Solar Thermal (MOST) energy storage device
From the themed collection: Emerging Investigator Series
Minireview

Controlling lattice oxygen activity of oxygen carrier materials by design: a review and perspective

The lattice oxygen activity of oxygen carriers is critical to chemical looping processes and can be effectively controlled with prepared (i) solid solution mixtures, (ii) ternary oxide phases or (iii) core–shell structured oxygen carriers.

Graphical abstract: Controlling lattice oxygen activity of oxygen carrier materials by design: a review and perspective
From the themed collection: Emerging Investigator Series
Review Article

Recent progress in the development of catalysts for propane dehydrogenation in the presence of CO2

Propane dehydrogenation (PDH) has become an important strategy to address the ever-increasing global demand for propene.

Graphical abstract: Recent progress in the development of catalysts for propane dehydrogenation in the presence of CO2
From the themed collection: Emerging Investigator Series
Open Access Communication

Development of an open-source flow-through cyclic voltammetry cell for real-time inline reaction analytics

A low volume flow-through cyclic voltammetry cell design that can be readily constructed from commercial fluidic components enables rapid inline monitoring of redox active species.

Graphical abstract: Development of an open-source flow-through cyclic voltammetry cell for real-time inline reaction analytics
From the themed collection: Emerging Investigator Series
Open Access Communication

Boosting the catalytic performance of a marine yeast in a SpinChem® reactor for the synthesis of perillyl alcohol

A sustainable approach for the reduction of perillaldehyde to perillyl alcohol (POH) through alginate immobilized yeast cell beads has been here developed.

Graphical abstract: Boosting the catalytic performance of a marine yeast in a SpinChem® reactor for the synthesis of perillyl alcohol
From the themed collection: Emerging Investigator Series
Communication

Copper-catalyzed redox-neutral regioselective chlorosulfonylation of vinylarenes

A simple Cu(OTf)2-catalyzed alkene chlorosulfonylation reaction is developed.

Graphical abstract: Copper-catalyzed redox-neutral regioselective chlorosulfonylation of vinylarenes
From the themed collection: Emerging Investigator Series
Open Access Communication

Combining radial and continuous flow synthesis to optimize and scale-up the production of medicines

Rapid, standardized process optimization and development on a radial synthesizer can be directly converted to a dedicated continuous flow process for scale-up, shown for three APIs via single- and multistep syntheses and continuous crystallization.

Graphical abstract: Combining radial and continuous flow synthesis to optimize and scale-up the production of medicines
From the themed collection: Emerging Investigator Series
Paper

Impact of particle-scale models on CFD–DEM simulations of biomass pyrolysis

A multiscale approach to simulate biomass pyrolysis.

Graphical abstract: Impact of particle-scale models on CFD–DEM simulations of biomass pyrolysis
From the themed collection: Emerging Investigator Series
Paper

Highly modular PDMS microwave-microfluidic chip reactor for MAOS applications

This work demonstrates the potential of microwave-microfluidics for rapid organic synthesis, incorporating modular flow cells with low-power, variable-MW frequency heating.

Graphical abstract: Highly modular PDMS microwave-microfluidic chip reactor for MAOS applications
From the themed collection: Emerging Investigator Series
Open Access Paper

High-efficiency non-thermal plasma synthesis of imine macrocycles

Non-thermal plasma synthesis offers efficient access to imine macrocycles.

Graphical abstract: High-efficiency non-thermal plasma synthesis of imine macrocycles
From the themed collection: Emerging Investigator Series
Paper

Selective hydrogenation of 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)furan over Ni–Ga intermetallic catalysts and its kinetic studies

5-Hydroxymethylfurfural (HMF) has been listed as the “TOP 14” most important biomass-derived platform molecules, which can be converted into 2,5-bis(hydroxymethyl)furan (BHF) via selective hydrogenation of the carbonyl group on HMF.

Graphical abstract: Selective hydrogenation of 5-hydroxymethylfurfural to 2,5-bis(hydroxymethyl)furan over Ni–Ga intermetallic catalysts and its kinetic studies
From the themed collection: Emerging Investigator Series
Open Access Paper

A robust data analytical method to investigate sequence dependence in flow-based peptide synthesis

A new data analytical method for flow-based peptide synthesis enables robust and quantitative analysis of sequence-dependent difficult couplings.

Graphical abstract: A robust data analytical method to investigate sequence dependence in flow-based peptide synthesis
From the themed collection: Emerging Investigator Series
Open Access Paper

Thermodynamic driving forces for autoreduction of Cu sites in the zeolite SSZ-13

We use phase diagrams to study the impact of auto-reduction on different Cu sites in the zeolite SSZ-13.

Graphical abstract: Thermodynamic driving forces for autoreduction of Cu sites in the zeolite SSZ-13
From the themed collection: Emerging Investigator Series
Paper

A generalized strategy for the ultrafast encapsulation of metal oxide nanoclusters into zeolites

We herein put forward a generalized synthesis strategy which can lead to the ultrafast, one-pot encapsulation of metal oxide nanoclusters into zeolites in just a few minutes.

Graphical abstract: A generalized strategy for the ultrafast encapsulation of metal oxide nanoclusters into zeolites
From the themed collection: Emerging Investigator Series
Paper

Automated high throughput workflow for rapid implementation of immobilized enzymes in chemical process development

Automated high throughput workflow facilitating the rapid optimization and development of immobilized enzymes – ready to be scaled – and thus matching the need for speed in modern drug development.

Graphical abstract: Automated high throughput workflow for rapid implementation of immobilized enzymes in chemical process development
From the themed collection: Biocatalysis & Bioprocessing
Open Access Paper

Responsive CO2 capture: predictive multi-objective optimisation for managing intermittent flue gas and renewable energy supply

A predictive control framework is developed to maximise enhanced weathering reactor CO2 capture rate, whilst simultaneously minimising non-renewable energy consumption.

Graphical abstract: Responsive CO2 capture: predictive multi-objective optimisation for managing intermittent flue gas and renewable energy supply
From the themed collection: Emerging Investigator Series
Open Access Paper

Adaptive mixed variable Bayesian self-optimisation of catalytic reactions

A novel adaptive latent Bayesian optimisation (ALaBO) algorithm accelerates the development of mixed variable catalytic reactions.

Graphical abstract: Adaptive mixed variable Bayesian self-optimisation of catalytic reactions
From the themed collection: Emerging Investigator Series
Paper

Hydrogenation of citral and carvone on Pt and PtSn supported metallic catalysts. A comparative study on the regioselectivity and chemoselectivity

Pt and PtSn catalysts supported on oxide and carbonaceous materials have been studied for the regioselective and chemoselective hydrogenation of citral and carvone.

Graphical abstract: Hydrogenation of citral and carvone on Pt and PtSn supported metallic catalysts. A comparative study on the regioselectivity and chemoselectivity
From the themed collection: Emerging Investigator Series
Open Access Paper

Optimized design and techno-economic analysis of novel DME production processes

Novel process concepts for DME production based on reactive distillation were proposed and evaluated techno-economically.

Graphical abstract: Optimized design and techno-economic analysis of novel DME production processes
From the themed collection: Emerging Investigator Series
Paper

Construction of a hollow MOF with high sedimentation performance and co-immobilization of multiple-enzymes for preparing rare ginsenoside CK

1. Sna&β-G@H-Cu-BDC biocomposite was synthesized via the hydrogel-template method with larger size. 2. Sna and β-G were co-immobilized in the hollow Cu-BDC MOF to produce the rare ginsenoside CK with cascade catalysis. 3. The Sna&β-G@H-Cu-BDC biocomposite has good sedimentation performance.

Graphical abstract: Construction of a hollow MOF with high sedimentation performance and co-immobilization of multiple-enzymes for preparing rare ginsenoside CK
From the themed collection: Emerging Investigator Series
Open Access Paper

Unravelling catalytic activity trends in ceria surfaces toward the oxygen reduction and water oxidation reactions

Different facets of ceria exhibit activities for the entire spectrum of oxygen electrochemistry.

Graphical abstract: Unravelling catalytic activity trends in ceria surfaces toward the oxygen reduction and water oxidation reactions
From the themed collection: Emerging Investigator Series
Paper

Electrodeposition of activated carbon on Ni foam for monolithic catalysts and intensification of hydrogenation performance in a micropacked bed

Thin and uniform activated carbon coatings were prepared by electrodeposition, and Pd was uniformly distributed on the coatings. The catalysts by electrodeposition have good external mass transfer performance and hydrogenation activity and stability.

Graphical abstract: Electrodeposition of activated carbon on Ni foam for monolithic catalysts and intensification of hydrogenation performance in a micropacked bed
From the themed collection: Emerging Investigator Series
Open Access Paper

Continuous synthesis of block copolymer nanoparticles via telescoped RAFT solution and dispersion polymerisation in a miniature CSTR cascade

Miniaturised continuous-flow reactors offer an economical and scalable route to explore the synthesis of block copolymers via RAFT mediated polymerisation-induced self-assembly (PISA).

Graphical abstract: Continuous synthesis of block copolymer nanoparticles via telescoped RAFT solution and dispersion polymerisation in a miniature CSTR cascade
From the themed collection: Emerging Investigator Series
Paper

Development of a high surface area Cu electrocatalyst for effective nitrous oxide reduction reaction

On a high surface area copper catalyst, electrochemical N2O reduction (N2ORR) with a favorable onset potential and a high N2 partial current density is achieved.

Graphical abstract: Development of a high surface area Cu electrocatalyst for effective nitrous oxide reduction reaction
From the themed collection: Emerging Investigator Series
Open Access Paper

Rapid optimisation of API crystallisation in a segmented flow reactor with a continuous, variable temperature gradient

A continuous flow reactor capable of a continuous, variable temperature gradient allows for the rapid optimization of reproducible crystallization conditions and control of crystal growth of small organic molecules.

Graphical abstract: Rapid optimisation of API crystallisation in a segmented flow reactor with a continuous, variable temperature gradient
From the themed collection: Emerging Investigator Series
Open Access Paper

Enhanced flow synthesis of small molecules by in-line integration of sequential catalysis and benchtop twin-column continuous chromatography

In-line integration of sequential catalysis and continuous multi-column purification. Adapted for small compound amounts (hit-to-lead). Suitable for large-scale purification (process chemistry).

Graphical abstract: Enhanced flow synthesis of small molecules by in-line integration of sequential catalysis and benchtop twin-column continuous chromatography
From the themed collection: Emerging Investigator Series
Paper

Synthesis of poly(2,6-diaminopyridine) using a rotating packed bed toward efficient production of polypyrrole-derived electrocatalysts

A straightforward and controllable synthesis method based on a high gravity rotating packed bed reactor is highly favored to efficiently manipulate the structural and electronic properties of polypyrrole-derived electrocatalysts.

Graphical abstract: Synthesis of poly(2,6-diaminopyridine) using a rotating packed bed toward efficient production of polypyrrole-derived electrocatalysts
From the themed collection: Emerging Investigator Series
Open Access Paper

Selective formation of propan-1-ol from propylene via a chemical looping approach

A novel chemical looping approach for propan-1-ol production from propylene.

Graphical abstract: Selective formation of propan-1-ol from propylene via a chemical looping approach
From the themed collection: Emerging Investigator Series
Paper

Autothermal CO2 hydrogenation reactor for renewable natural gas generation: experimental proof-of-concept

94% CO2 conversion and 100% formation selectivity to CH4 are obtained in a laboratory Sabatier reactor with a packed bed, air-cooled configuration, using a commercial Ni catalyst.

Graphical abstract: Autothermal CO2 hydrogenation reactor for renewable natural gas generation: experimental proof-of-concept
From the themed collection: Emerging Investigator Series
Paper

Structural control in the nanoassembly of the tungsten and molybdenum dithiolene complex analog

A strategy for precisely tuning the self-assembly of tungsten and molybdenum dithiolene complexes to nanoflowers and nanopolyhedra is put forward.

Graphical abstract: Structural control in the nanoassembly of the tungsten and molybdenum dithiolene complex analog
From the themed collection: Emerging Investigator Series
Paper

Catalytic co-pyrolysis of LDPE and PET with HZSM-5, H-beta, and HY: experiments and kinetic modelling

This study determines interaction effects and conducts kinetic modeling for catalytic co-pyrolysis of LDPE and PET with multiple zeolite frameworks.

Graphical abstract: Catalytic co-pyrolysis of LDPE and PET with HZSM-5, H-beta, and HY: experiments and kinetic modelling
From the themed collection: Emerging Investigator Series
Open Access Paper

Homogeneous catalyst modifier for alkyne semi-hydrogenation: systematic screening in an automated flow reactor and computational study on mechanisms

21 types of modifiers are screened for palladium catalysed semi-hydrogenation of alkynes with varying catalyst type, reaction time, and target substrate using an automated flow reactor system.

Graphical abstract: Homogeneous catalyst modifier for alkyne semi-hydrogenation: systematic screening in an automated flow reactor and computational study on mechanisms
From the themed collection: Emerging Investigator Series
Paper

Microwave-promoted continuous flow synthesis of thermoplastic polyurethane–silver nanocomposites and their antimicrobial performance

The present study reports a reducing agent-free continuous manufacturing of ∼5 nm silver nanoparticles in a thermoplastic polyurethane matrix using a microwave-promoted fluidic system.

Graphical abstract: Microwave-promoted continuous flow synthesis of thermoplastic polyurethane–silver nanocomposites and their antimicrobial performance
From the themed collection: Emerging Investigator Series
Paper

Chemically-informed data-driven optimization (ChIDDO): leveraging physical models and Bayesian learning to accelerate chemical research

A method combining information from both experiments and physics-based models is used to improve experimental Bayesian optimization.

Graphical abstract: Chemically-informed data-driven optimization (ChIDDO): leveraging physical models and Bayesian learning to accelerate chemical research
From the themed collection: Emerging Investigator Series
Open Access Paper

Effect of reaction conditions on the hydrogenolysis of polypropylene and polyethylene into gas and liquid alkanes

Hydrogenolysis of polypropylene and polyethylene provides a pathway to smaller hydrocarbons. We describe the impact of the polyolefin structure, reaction conditions, and presence of chlorine on the product distribution and branching degree.

Graphical abstract: Effect of reaction conditions on the hydrogenolysis of polypropylene and polyethylene into gas and liquid alkanes
From the themed collection: Emerging Investigator Series
Open Access Paper

Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO2-rich syngas

Kinetic investigations and model-based optimization of CuO/ZnO/ZrO2 : H-FER 20 catalytic systems for direct DME synthesis from CO2-rich syngas.

Graphical abstract: Experimental investigations and model-based optimization of CZZ/H-FER 20 bed compositions for the direct synthesis of DME from CO2-rich syngas
From the themed collection: Emerging Investigator Series
Paper

Topology optimization of a packed bed microreactor involving pressure driven non-Newtonian fluids

Multivariable optimization is an important task for a microreactor to operate with better control and efficacy.

Graphical abstract: Topology optimization of a packed bed microreactor involving pressure driven non-Newtonian fluids
From the themed collection: Emerging Investigator Series
Paper

Microfluidic fabrication of hydrogel microparticles with MOF-armoured multi-enzymes for cascade biocatalytic reactions

Uniform hydrogel microparticles with ZIF-8 nanoparticles for molecular co-confinement of cascade enzymes are developed by microfluidics to achieve enhanced stability and reusability under harsh conditions.

Graphical abstract: Microfluidic fabrication of hydrogel microparticles with MOF-armoured multi-enzymes for cascade biocatalytic reactions
From the themed collection: Emerging Investigator Series
Paper

Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations

A full DFT parameterized MKM is used to accurately predict the reactivity trend for ethanol dehydrogenation reaction on SAAs.

Graphical abstract: Tracing the reactivity of single atom alloys for ethanol dehydrogenation using ab initio simulations
From the themed collection: Emerging Investigator Series
Paper

DFT study of phenol alkylation with propylene on H-BEA in the absence and presence of water

Water reduces the activation barrier of the rate-limiting step of phenol alkylation with propylene in H-BEA. This, in turn, increases the transition-state theory rate coefficient by two orders-of-magnitude, suggesting much faster alkylation.

Graphical abstract: DFT study of phenol alkylation with propylene on H-BEA in the absence and presence of water
From the themed collection: Emerging Investigator Series
Paper

An activated carbon fiber supported Fe2O3@bismuth carbonate heterojunction for enhanced visible light degradation of emerging pharmaceutical pollutants

The developed Fe2O3@BC heterojunction photocatalyst supported over activated carbon fiber exhibited efficient photocatalytic activity for degradation of antipyrine under visible light irradiation.

Graphical abstract: An activated carbon fiber supported Fe2O3@bismuth carbonate heterojunction for enhanced visible light degradation of emerging pharmaceutical pollutants
From the themed collection: Emerging Investigator Series
Paper

α-Oxygenation of N-aryl/alkyl heterocyclic compounds via ruthenium photocatalysis

We herein report ruthenium(III) photocatalyzed oxidation of N-aryl tertiary amines to the corresponding amides.

Graphical abstract: α-Oxygenation of N-aryl/alkyl heterocyclic compounds via ruthenium photocatalysis
From the themed collection: Emerging Investigator Series
Paper

Kinetics of furfural electrochemical hydrogenation and hydrogenolysis in acidic media on copper

This article reports the competing kinetics and insights into the mechanisms of the electrochemical hydrogenation and hydrogenolysis of furfural to furfuryl alcohol and 2-methylfuran.

Graphical abstract: Kinetics of furfural electrochemical hydrogenation and hydrogenolysis in acidic media on copper
From the themed collection: Emerging Investigator Series
Paper

Framework of the kinetic analysis of O2-dependent oxidative biocatalysts for reaction intensification

A framework for kinetic modelling and evaluation of the reaction intensification of O2-dependent enzyme catalyzed reactions is built from measurements of consumption rates of the initially dissolved O2 in homogeneous liquid phase.

Graphical abstract: Framework of the kinetic analysis of O2-dependent oxidative biocatalysts for reaction intensification
From the themed collection: Emerging Investigator Series
Paper

Surface engineering of a Cu-based heterogeneous catalyst for efficient azide–alkyne click cycloaddition

Atomic-scale engineering of the copper active sites tunes the material performance in the regioselective synthesis of triazoles.

Graphical abstract: Surface engineering of a Cu-based heterogeneous catalyst for efficient azide–alkyne click cycloaddition
From the themed collection: Emerging Investigator Series
Open Access Paper

Engineering aspects of FlowNMR spectroscopy setups for online analysis of solution-phase processes

In this article we review some fundamental engineering concepts and evaluate components and materials required to assemble and operate safe and effective FlowNMR setups that reliably generate meaningful results.

Graphical abstract: Engineering aspects of FlowNMR spectroscopy setups for online analysis of solution-phase processes
From the themed collection: Emerging Investigator Series
Paper

The influence of additives on orthogonal reaction pathways in the Mizoroki–Heck arylation of vinyl ethers

Translating microscale high-throughput screening hits into preparative scale chemistry often requires an understanding of scale-dependent factors, such as the effect of additives on catalyst activation pathways.

Graphical abstract: The influence of additives on orthogonal reaction pathways in the Mizoroki–Heck arylation of vinyl ethers
From the themed collection: Emerging Investigator Series
Paper

A life cycle approach to solvent design: challenges and opportunities for ionic liquids – application to CO2 capture

CO2 capture and storage is widely anticipated to play a key role in combatting climate change, however the solvents proposed for use have embedded environmental concerns.

Graphical abstract: A life cycle approach to solvent design: challenges and opportunities for ionic liquids – application to CO2 capture
From the themed collection: Emerging Investigator Series
Paper

Economically-feasible production of a nylon monomer using RANEY® catalysts

This research was aimed at developing an economically-feasible process to produce a value-added chemical used to synthesize nylon, hexamethylenediamine (HMDA), by hydrogenating adiponitrile (ADN) using an inexpensive catalyst such as RANEY® Ni or RANEY® Co.

Graphical abstract: Economically-feasible production of a nylon monomer using RANEY® catalysts
From the themed collection: Emerging Investigator Series
Paper

Enhanced visible-light photoreduction of CO2 to methanol over Mo2C/TiO2 surfaces in an optofluidic microreactor

Mixing nanostructured Mo2C with TiO2 appears as a promising strategy for enhanced CO2 photoreduction to methanol under visible light.

Graphical abstract: Enhanced visible-light photoreduction of CO2 to methanol over Mo2C/TiO2 surfaces in an optofluidic microreactor
From the themed collection: Emerging Investigator Series
Paper

Photochlorination of toluene – the thin line between intensification and selectivity. Part 1: intensification and effect of operation conditions

Intensification of photochlorination of toluene in microstructured reactors by up to a factor of 10 was achieved, but also caused an unexpected decrease of selectivity. Dynamic irradiation suppressed side reactions and increased energy efficiency.

Graphical abstract: Photochlorination of toluene – the thin line between intensification and selectivity. Part 1: intensification and effect of operation conditions
From the themed collection: Emerging Investigator Series
52 items

About this collection

Reaction Chemistry & Engineering is pleased to present this growing web collection, showcasing the work being conducted by Emerging Investigators in all areas of reaction chemistry and engineering across the globe. It highlights up-and-coming scientists in the early stages of their independent careers, who have been identified as having the potential to influence future directions in the field.
This collection will be updated when new Emerging Investigator Series papers are published – so keep checking this page and watch the collection grow.
More details about the Emerging Investigator Series can be found on the blog, including details on how to apply for consideration and more information about the corresponding authors featured in this collection.

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