Themed collection Emerging Investigator Series
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.
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.
Copper-catalyzed redox-neutral regioselective chlorosulfonylation of vinylarenes
A simple Cu(OTf)2-catalyzed alkene chlorosulfonylation reaction is developed.
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.
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).
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.
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.
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).
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.