Themed collection 2017 Emerging Investigators

We highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the large-scale structural changes upon external physical or chemical stimulation, and the presence of defects and disorder.

This feature compares the merits of different 3D invasion assays. We highlight paper-based cultures as an emerging platform that is readily accessible, modular in design, and capable of quantifying invasion in tissue-like structures.

Traditional textile materials can be transformed into functional electronic components upon being dyed or coated with films of intrinsically conducting polymers, such as poly(aniline), poly(pyrrole) and poly(3,4-ethylenedioxythiophene).

Recent developments to achieve further physicochemical control in metallic nanomaterials by galvanic replacement are discussed towards applications in catalysis.

Reactions of fluorinated substrates proceed with distinct patterns relative to non-fluorinated substrates.

Genome-wide CRISPR interference (CRISPRi) screens in mammalian cells enable drug target identification and uncover genes controlling drug response.

The difference between iridium oxide and less active 3d-metal oxygen evolution catalysts is discussed from the efficiency of charge accumulation.

This study investigated the effect of bromide on the oxidation of three lead(II) solids by chlorine – a redox process critical to the control of lead release in drinking water distribution systems.

The rigidity of the ligand PyCp₂²⁻ allows for facile access to Dy³⁺ complexes that exhibit improved dynamic magnetic properties.

This work shows that selectivity control in biomass systems is governed by reactant solvation in both monophasic and biphasic systems.

This study demonstrates the ability to use membraneless flow-cell electrolyzers to simultaneously produce acids and bases from neutral brine solutions.

The hydricity (ΔG_H⁻) of a newly synthesized nickel hydride was experimentally determined in acetonitrile (50.6 kcal mol⁻¹), dimethyl sulfoxide (47.1 kcal mol⁻¹), and water (22.8 kcal mol⁻¹).

Individual fine particulate matter (PM_2.5) particles are revealed with mechanical mapping and infrared imaging at 10 nm spatial resolution.

Topographic and graphene-functionalized culture substrates were fabricated to regulate cardiac structure and function through manipulation of micro- and nano-scale mechanical and electroconductive cues.

Non-canonical α-methyl amino acids were incorporated at various sites in the sequence of intrinsically disordered activation domain from the p160 transcriptional co-activator (ACTR) to facilitate the formation of α-helical structures.

A photocrosslinkable protein G adapter was used to site-specifically conjugate complex native proteins to oligonucleotides, allowing for efficient incorporation on DNA origami nanostructures.

The first group 4 metal catalysts are developed to catalyse C(sp³)–H addition of alkyl pyridines to olefins. Ligand-controlled regioselectivity was observed and verified.

Structural isomerism in ligated gold clusters is revealed using electrospray ionization ion mobility spectrometry mass spectrometry.

With our newly developed model, we have revealed the molecular mechanism of chitosan hydrogel self-assembly by exploring its pH-dependent crosslinking pattern.

Here we report a ratiometric fluorescent probe for chemoselective conjugation to sulfenic acids in living cells.

Development of catalyst-controlled C–H hydroxylation could provide direct access to valuable synthetic targets, such as primary metabolites.

Measured O₂ concentration under 266 nm, 500 Hz, 150 fs (open red circles) and 30 ns (open blue triangles) pulsed laser excitation. The black lines indicate the theoretical amount of O₂ product at 100% Faradaic efficiency.

First report on the effect of side-chain induced perturbations on exciton interactions in an organic light harvesting crystal.

A topological or geometric phase blockade can be introduced in molecular electron transfer processes if a conical intersection occurs between two charge configurations.

We have developed a new optical technique – opto-thermoelectric printing – to print colloidal particles with reconfigurable patterns on substrates via light-controlled thermoelectric fields.

We present mt-pcSOFI, live-cell monochromatic sub-diffraction imaging and illustrate the method with existing RSFPs and the newly developed ffDronpa-F.

Efficient complexation of sanguinarine by carboxylatopillar[6]arene. The pK_a shift, increased solubility, and enhanced antibacterial activity are described.

The gram-scale polymerization of a novel azaborine vinyl monomer is reported.

Mesoporous TiN and NbN synthesized using a block copolymer self-assembly are evaluated for catalyst support applications in acid environments.

Photophysics and dynamics of chromophores with a benzylidene imidazolinone core, responsible for emission of green fluorescent protein variants, were studied as a function of host topology by three approaches.

Coupling laser post-ionisation with a high resolving power MALDI Orbitrap mass spectrometer has realised an up to ∼100-fold increase in the sensitivity and enhanced the chemical coverage for MALDI-MS imaging of lipids relative to conventional MALDI.

Investigation into the biological function of 5-benzylidene-4-oxazolidinones revealed dose-dependent inhibition of biofilm formation in Methicillin-resistant S. aureus (MRSA).

The bottom-up construction of cell-sized membrane active compartments programmed with DNA is achieved by constructing mechanosensitive liposomes with biosensing capability using cell-free expression.

A highly efficient and robust nanoporous NiOOH-borate thin film for the selective production of formate via electrochemical and photoelectrochemical methanol reforming is reported.

Novel palladium-catalyzed aminocarbonylative lactonizations have been developed to synthesize bicyclic lactones with antibacterial and antifungal activities.

Self-assembled, cylindrical LDH nanotubes (∅ 20nm) host large species such as nanodots or bulky substrates in their central cavity, leaving the interlayer space available for anionic sensitizer molecules.

Tip-enhanced Raman scattering may be used to image various aspects of plasmon-enhanced local electric fields with extremely high spatial resolution.

Polypeptides containing 2-aminoisobutiryc acid (Aib) as an unnatural amino acid were synthesized via chemoenzymatic polymerization of the tripeptide ethyl ester AlaAibAla-OEt.

The κ⁴-diimine cobalt hydride compound, (^Ph2PPrDI)CoH, has been found to catalyze E-selective alkyne hydroboration and the dihydroboration of nitriles.

The sequence and order of disulfide bond formation in cysteine-rich proteins, and the resulting conformational changes, are assessed via a thermodynamic perturbation protocol.

We present the first ferromagnetically-coupled Er³⁺ complex with linked, high-anisotropy Er–COT (COT²⁻ = cyclooctatetraene dianion) subunits.

Well-defined, isolated, single-site organovanadium(III) catalyst on SiO₂ for unprecedented liquid- and gas-phase hydrogenation of alkenes and alkynes under mild conditions.

The hierarchical bicontinuous structure of redox-active organic composites of crystalline quinone derivatives and conductive polymers was generated through simultaneous etching of the crystal and polymerization of the monomer.

Femto- and picosecond transient XAFS revealed the photoexcitation dynamics of BiVO₄.

[Co(bds)₂][nBu₄N] (where bds = 1,2-benzenediselenolate) was identified as an electrocatalyst for H₂ evolution. Mechanistic studies indicate that with acid a protonated oligomeric {[Co(bds)₂(H)_x]^x−1}_m is formed, which was found to reenter the catalytic cycle and generate H₂.

The (R₃P)₂HB-moiety in a palladium(II) pincer complex is demonstrated to be a L-type ligand and compared with other bonding types.

A reductive coupling reaction using two-dimensional nanocarbon, i.e., reduced graphene oxide (rGO), as a carbocatalyst and/or a reaction initiator was developed.

Encoded fluorescent particles are fabricated through the selective uptake of dyes in photopatterned metal–organic framework single crystals.

An autocatalytic cycle was found in the mechanism of autoxidation of triethylborane using density functional theory calculations, and studied in detail with kinetic simulations.

Understanding the formation and properties of self-assembled peptide nanostructures is the basis for the design of new architectures for various applications.

Molecularly imprinted PEG-based hydrogels were prepared for carbohydrates and glycoproteins. Visible detection of fructose was achieved by the gels.

An alternative way to distinguish ionic liquids and Coulombic-dominated salts based on the temperature dependency of aqueous biphasic systems.

An electrochemical quartz crystal microbalance can detect formation of heterogeneous material from molecular precursors, and thus provides rapid access to information on catalyst stability.

A formally ‘Co⁰’ compound, containing the redox-active macrocyclic Mabiq ligand, was isolated and characterized. Ligand redox non-innocence in this system has important ramifications for reactivity.

The functionalization of a spherical Keplerate-type polyoxometalate {Mo₇₂V₃₀} with a cationic azobenzene surfactant has been achieved through ionic self-assembly.

Reversible N₂ coordination to [Cp′Fe(IiPr₂Me₂)] induces a spin-state change.

Chemoproteomics-enabled covalent ligand discovery reveals a covalent ligand targeting RTN4 that alters ER morphology and impairs cancer pathogenicity.

A novel Suzuki–Miyaura protocol is described that enables the exhaustive alkylation of polychlorinated pyridines.

A COF with hierarchical porosity has been constructed. It exists as hollow microspheres and exhibits an extremely high volatile iodine uptake (up to 481 wt%) by encapsulating iodine in the inner cavities and porous shells of the microspheres.

We present the synthesis of a B–N analogue of polystyrene, poly(N-methyl-B-vinylazaborine) in high molecular weight (M_W = 24.9 kDa).