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Themed collection 2018 International Open Access Week Collection

25 items
Open Access Minireview

Mechanisms of catalytic reduction of CO2 with heme and nonheme metal complexes

This critical review discusses the thermal and photocatalytic mechanisms of one-, two-, four-, six- and eight-electron reduction of CO2 with metal complex catalysts.

Graphical abstract: Mechanisms of catalytic reduction of CO2 with heme and nonheme metal complexes
Open Access Edge Article

Adhesive bacterial amyloid nanofiber-mediated growth of metal–organic frameworks on diverse polymeric substrates

Adhesive curli nanofibers, bacterial biofilms' major protein component, were utilized to mediate the growth of MOFs on various polymeric substrates.

Graphical abstract: Adhesive bacterial amyloid nanofiber-mediated growth of metal–organic frameworks on diverse polymeric substrates
Open Access Edge Article

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL

The to date largest comparative study of nine state-of-the-art drug target prediction methods finds that deep learning outperforms all other competitors. The results are based on a benchmark of 1300 assays and half a million compounds.

Graphical abstract: Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
Open Access Edge Article

Engineering thermoresponsive phase separated vesicles formed via emulsion phase transfer as a content-release platform

Elucidation of cholesterol insertion efficiency into phase-transfer vesicles enables the rational design of phase-separated membranes as thermally-responsive platforms for artificial cell construction.

Graphical abstract: Engineering thermoresponsive phase separated vesicles formed via emulsion phase transfer as a content-release platform
Open Access Edge Article

Ruthenium-catalyzed umpolung carboxylation of hydrazones with CO2

The first ruthenium-catalyzed umpolung carboxylation of hydrazones with CO2 to generate important aryl acetic acids is reported.

Graphical abstract: Ruthenium-catalyzed umpolung carboxylation of hydrazones with CO2
Open Access Edge Article

Iron-catalyzed urea synthesis: dehydrogenative coupling of methanol and amines

An iron catalyzed method for selective urea synthesis is described. This approach couples methanol and amines to generate diverse organic ureas.

Graphical abstract: Iron-catalyzed urea synthesis: dehydrogenative coupling of methanol and amines
Open Access Edge Article

Aldehyde group driven aggregation-induced enhanced emission in naphthalimides and its application for ultradetection of hydrazine on multiple platforms

A new concept of formyl group induced ACQ to AIEE transformation is established in naphthalimide congeners. Also, ultradetection of hydrazine via Schiff base complexation over multiple platforms is presented.

Graphical abstract: Aldehyde group driven aggregation-induced enhanced emission in naphthalimides and its application for ultradetection of hydrazine on multiple platforms
Open Access Edge Article

Covalent triazine framework modified with coordinatively-unsaturated Co or Ni atoms for CO2 electrochemical reduction

Nickel-modified covalent triazine frameworks effectively reduced CO2 to CO because adsorbed COOH was stabilized on the coordinatively-unsaturated Ni atoms in CTF.

Graphical abstract: Covalent triazine framework modified with coordinatively-unsaturated Co or Ni atoms for CO2 electrochemical reduction
From the themed collection: 2018 ChemSci Pick of the Week Collection
Open Access Edge Article

Rational design of a water-soluble NIR AIEgen, and its application in ultrafast wash-free cellular imaging and photodynamic cancer cell ablation

The first water-soluble NIR AIEgen was synthesized and used for ultrafast wash-free cellular imaging and photodynamic cancer cell ablation.

Graphical abstract: Rational design of a water-soluble NIR AIEgen, and its application in ultrafast wash-free cellular imaging and photodynamic cancer cell ablation
Open Access Edge Article

Trends in activity for the oxygen evolution reaction on transition metal (M = Fe, Co, Ni) phosphide pre-catalysts

A notable trend in OER activity on transition metal phosphide pre-catalysts is reported. Remarkably, the tri-metallic FeCoNiP pre-catalysts exhibit exceptional apparent and intrinsic OER activities, outperforming many non-precious OER catalysts reported previously.

Graphical abstract: Trends in activity for the oxygen evolution reaction on transition metal (M = Fe, Co, Ni) phosphide pre-catalysts
From the themed collection: Editor’s Choice – Toshiharu Teranishi
Open Access Edge Article

Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks

We report a periodic density-functional theory evaluation of putative frameworks, including a topologically novel arhangelskite (arh) structure, based on the pentazolate ion, the ultimate all-nitrogen, inorganic member of the azolate series of aromatic 5-membered ring anions.

Graphical abstract: Computational evaluation of metal pentazolate frameworks: inorganic analogues of azolate metal–organic frameworks
Open Access Edge Article

Fluorescent dyes and probes for super-resolution microscopy of microtubules and tracheoles in living cells and tissues

Nanoscopy compatible fluorescent tubulin probes can be used to stain microtubules and chitin-rich taenidia in the insect tracheoles.

Graphical abstract: Fluorescent dyes and probes for super-resolution microscopy of microtubules and tracheoles in living cells and tissues
Open Access Edge Article

A highly integrated DNA nanomachine operating in living cells powered by an endogenous stimulus

An elegant, highly integrated DNA nanomachine powered by endogenous ATP molecules was developed for specific microRNA imaging in living cells.

Graphical abstract: A highly integrated DNA nanomachine operating in living cells powered by an endogenous stimulus
Open Access Edge Article

Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission

Introduction of an isopropyl bridge in the triangulenium skeleton leads to a new series of redshifted triangulenium dyes with high fluorescence quantum yields and remarkable long fluorescence lifetime allowing for time-gated cell imaging.

Graphical abstract: Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission
Open Access Edge Article

High-throughput identification of G protein-coupled receptor modulators through affinity mass spectrometry screening

High-throughput identification of GPCR modulators through affinity MS screening.

Graphical abstract: High-throughput identification of G protein-coupled receptor modulators through affinity mass spectrometry screening
Open Access Edge Article

Spironaphthoxazine switchable dyes for biological imaging

We demonstrate that a photochromic spironaphthoxazine switch operates with excellent fatigue resistance and high conversion when irradiated at 405/561 nm in a range of media including living cells.

Graphical abstract: Spironaphthoxazine switchable dyes for biological imaging
Open Access Edge Article

Extraction of nickel from NiFe-LDH into Ni2P@NiFe hydroxide as a bifunctional electrocatalyst for efficient overall water splitting

Ni2P@FePOx has been synthesized via extraction and selective phosphorization of nickel in NiFe-LDH, and then conversed to a new heterostructure of Ni2P@NiFe hydroxide (P-NiFe) during water splitting. P-NiFe can act as an efficient bifunctional electrocatalyst for overall water splitting.

Graphical abstract: Extraction of nickel from NiFe-LDH into Ni2P@NiFe hydroxide as a bifunctional electrocatalyst for efficient overall water splitting
From the themed collection: Editors’ Choice Collection
Open Access Edge Article

Ligand-enabled ortho-C–H olefination of phenylacetic amides with unactivated alkenes

Here we report a quinoline-derived ligand that enables the Pd(II)-catalyzed olefination of the C(sp2)–H bond with simple aliphatic alkenes using a weakly coordinating monodentate amide auxiliary.

Graphical abstract: Ligand-enabled ortho-C–H olefination of phenylacetic amides with unactivated alkenes
Open Access Edge Article

A durable monolithic polymer foam for efficient solar steam generation

A self-floating sturdy polymer foam which by itself enables efficient solar steam generation without optical concentration.

Graphical abstract: A durable monolithic polymer foam for efficient solar steam generation
Open Access Edge Article

Scalable thioarylation of unprotected peptides and biomolecules under Ni/photoredox catalysis

A mechanistically distinct, Ni/photoredox-catalyzed arylation of unprotected, native thiols (e.g., cysteine residues) is reported – a process initiated through a visible light-promoted, hydrogen atom transfer (HAT) event under ambient conditions.

Graphical abstract: Scalable thioarylation of unprotected peptides and biomolecules under Ni/photoredox catalysis
Open Access Edge Article

Deformylation reaction-based probe for in vivo imaging of HOCl

We report a near-infrared emissive probe which can detect HOCl in vivo by both fluorescence imaging and the naked eye.

Graphical abstract: Deformylation reaction-based probe for in vivo imaging of HOCl
Open Access Edge Article

MoleculeNet: a benchmark for molecular machine learning

A large scale benchmark for molecular machine learning consisting of multiple public datasets, metrics, featurizations and learning algorithms.

Graphical abstract: MoleculeNet: a benchmark for molecular machine learning
Open Access Edge Article

Synthesis of ultrathin platinum nanoplates for enhanced oxygen reduction activity

Ultrathin Pt nanoplates exposing {111} facets are synthesized by galvanic-replacement-free templating of conveniently available Ag nanoplates, showing enhanced oxygen reduction activity.

Graphical abstract: Synthesis of ultrathin platinum nanoplates for enhanced oxygen reduction activity
From the themed collection: Most Impactful Nanoscience Articles
Open Access Edge Article

Understanding the origins of metal–organic framework/polymer compatibility

The microscopic interfacial structures for a series of metal–organic frameworks (MOFs)/polymer composites consisting of the Zr-based UiO-66 coupled with different polymers are systematically explored by applying a computational methodology that integrates density functional theory calculations and force field-based molecular dynamics simulations.

Graphical abstract: Understanding the origins of metal–organic framework/polymer compatibility
Open Access Edge Article

Site-selective bromination of sp3 C–H bonds

A method for converting sp3 C–H to C–Br bonds using an N-methyl sulfamate directing group is described. For all sulfamates examined, bromination occurs with high selectivity at the γ-carbon, affording a predictable method for C–H bond halogenation.

Graphical abstract: Site-selective bromination of sp3 C–H bonds
25 items

About this collection

In celebration of International Open Access Week 2018 we have drawn together some of our most popular papers from 2018 for you to enjoy. These papers have been selected to highlight the broad range of topics Chemical Science publishes and, as with all Chemical Science papers, they are of course free to read! Chemical Science is proud to be a fully Open Access journal with all APCs paid by the Royal Society of Chemistry.

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