Themed collection #RSCPoster Twitter Conference

41 items
Open Access Highlight

Density functional theory predictions of the mechanical properties of crystalline materials

The DFT-predicted mechanical properties of crystalline materials are crucial knowledge for their screening, design, and exploitation.

Graphical abstract: Density functional theory predictions of the mechanical properties of crystalline materials
From the themed collection: #RSCPoster Twitter Conference
Communication

An electrochemical study on LiMn2O4 for Al3+ ion storage in aqueous electrolytes

An exclusive study on the Al3+ ion electrochemistry of LiMn2O4 in aqueous electrolytes is illustrated.

Graphical abstract: An electrochemical study on LiMn2O4 for Al3+ ion storage in aqueous electrolytes
From the themed collection: #RSCPoster Twitter Conference
Communication

Self-assembled nickel cubanes as oxygen evolution catalysts

Ni4O4 cubanes [(μ3-L1O)NiCl(MeOH)]4 (1) and [(μ3-L2O)NiCl(H2O)]4 (2) (L1OH = 1-H-2-benzimidazolylmethanol, L2OH = 1-methyl-2-benzimidazolylmethanol) self-assemble, providing easy access to oxygen evolution electrocatalysts.

Graphical abstract: Self-assembled nickel cubanes as oxygen evolution catalysts
From the themed collection: #RSCPoster Twitter Conference
Communication

Selective DCP detection with xanthene derivatives by carbonyl phosphorylation

Dual mode signalling for DCP detection with rhodamine-6G derivatives through phosphorylation at the spirocyclic carbonyl end.

Graphical abstract: Selective DCP detection with xanthene derivatives by carbonyl phosphorylation
From the themed collection: #RSCPoster Twitter Conference
Communication

Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials

We develop a chemical replacements in structure prototype (CRISP) approach for novel materials discovery with functional applications.

Graphical abstract: Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials
Communication

Role of molecular bend angle and biaxiality in the stabilization of the twist-bend nematic phase

Within mean-field theory for V-shaped molecules, we have investigated how the alteration of a molecule's structural features influence the stabilization of modulated and non-modulated nematic phases.

Graphical abstract: Role of molecular bend angle and biaxiality in the stabilization of the twist-bend nematic phase
From the themed collection: #RSCPoster Twitter Conference
Communication

Quantification of ion migration in CH3NH3PbI3 perovskite solar cells by transient capacitance measurements

We quantify activation energy, concentration, and diffusion coefficient of mobile ions in MAPbI3 perovskite solar cells using transient ion-drift measurements.

Graphical abstract: Quantification of ion migration in CH3NH3PbI3 perovskite solar cells by transient capacitance measurements
From the themed collection: #RSCPoster Twitter Conference
Open Access Edge Article

Effects of turn-structure on folding and entanglement in artificial molecular overhand knots

Spacers linking 2,6-pyridinedicarboxamide units influence the tightness of the corresponding lanthanide-coordinated overhand knot. β-Hairpin forming motifs generate a metal-coordinated pseudopeptide with a knotted tertiary structure.

Graphical abstract: Effects of turn-structure on folding and entanglement in artificial molecular overhand knots
From the themed collection: #RSCPoster Twitter Conference
Open Access Edge Article

Stability of radical-functionalized gold surfaces by self-assembly and on-surface chemistry

We have investigated the radical functionalization of gold with a derivative of the perchlorotriphenylmethyl radical using two methods: by chemisorption from the radical solution and by on surface chemical derivation from a precursor.

Graphical abstract: Stability of radical-functionalized gold surfaces by self-assembly and on-surface chemistry
From the themed collection: #RSCPoster Twitter Conference
Open Access Edge Article

Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery

Evolutionary optimisation and crystal structure prediction are used to explore chemical space for molecular organic semiconductors.

Graphical abstract: Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery
From the themed collection: #RSCPoster Twitter Conference
Open Access Edge Article

Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals

Working towards a fundamental description of mechanochemical reactions through the use of classical molecular dynamics simulations. Capturing the transfer of molecules between two non-volatile molecular crystals during mechanochemical events.

Graphical abstract: Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Effect of heterogeneous and homogeneous polymerisation on the structure of pNIPAm nanogels

The choice of the polymerisation temperature and initiator in the synthesis of poly(N-isopropylacrylamide)-based nanogels can significantly influence their structure, morphology and thermoresponsive properties.

Graphical abstract: Effect of heterogeneous and homogeneous polymerisation on the structure of pNIPAm nanogels
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Zinc porphyrin/mesoporous titania thin film electrodes: a hybrid material nanoarchitecture for photocatalytic reduction

In this work, photocatalytic reduction of methyl viologen is achieved using zinc tetra(4-N-methylpyridyl)porphine (ZnP) functionalized mesoporous titania thin films (MTTF). Also, ZnP sensitizing and photophysical properties are retained in the hybrid material.

Graphical abstract: Zinc porphyrin/mesoporous titania thin film electrodes: a hybrid material nanoarchitecture for photocatalytic reduction
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Hydrophobic thiol coatings to facilitate a triphasic interface for carbon dioxide reduction to ethylene at gas diffusion electrodes

In this work, we report the use of hydrophobic 1-octadecanethiol coatings at copper coated gas diffusion electrodes to enhance the production of ethylene.

Graphical abstract: Hydrophobic thiol coatings to facilitate a triphasic interface for carbon dioxide reduction to ethylene at gas diffusion electrodes
From the themed collection: #RSCPoster Twitter Conference
Paper

Preparation of hexafluoroisopropyl esters by oxidative esterification of aldehydes using sodium persulfate

A metal-free route for oxidative esterification of aldehydes using sodium persulfate and a catalytic quantity of a nitroxide.

Graphical abstract: Preparation of hexafluoroisopropyl esters by oxidative esterification of aldehydes using sodium persulfate
From the themed collection: Synthetic methodology in OBC
Open Access Paper

D–A–π–A organic dyes with tailored green light absorption for potential application in greenhouse-integrated dye-sensitized solar cells

In this paper, we present the design and synthesis of three organic dyes specially developed for the fabrication of dye-sensitized solar cells with potential application in greenhouses cladding.

Graphical abstract: D–A–π–A organic dyes with tailored green light absorption for potential application in greenhouse-integrated dye-sensitized solar cells
From the themed collection: Recent Open Access Articles
Paper

Synthesis, characterization and antibacterial applications of pyrazolyl-sulfonamides and their palladium complexes

Pyrazolylsulphonamides compounds and their palladium complexes exhibiting good potential anti-bacterial activities.

Graphical abstract: Synthesis, characterization and antibacterial applications of pyrazolyl-sulfonamides and their palladium complexes
From the themed collection: #RSCPoster Twitter Conference
Paper

Protein-templated gold nanoclusters as specific bio-imaging probes for the detection of Hg(II) ions in in vivo and in vitro systems: discriminating between MDA-MB-231 and MCF10A cells

Sub-nanomolar selective detection of Hg(II) ions by protein (Human Serum Albumin, HSA) templated gold nanoclusters (AuNCs), both in in vitro as well as in vivo environments and specific endocytose behaviour towards breast cancer (BC) cell lines.

Graphical abstract: Protein-templated gold nanoclusters as specific bio-imaging probes for the detection of Hg(ii) ions in in vivo and in vitro systems: discriminating between MDA-MB-231 and MCF10A cells
From the themed collection: #RSCPoster Twitter Conference
Paper

Reactivity of phospha–Wittig reagents towards NHCs and NHOs

Phospha–Wittig reagents of the type RPPMe3 can be considered as phosphine-stabilized phosphinidenes and were shown to react with NHCs and NHOs to afford NHC phosphinidene adducts or P-substituted NHOs, respectively.

Graphical abstract: Reactivity of phospha–Wittig reagents towards NHCs and NHOs
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Self-healing and mechanical performance of dynamic glycol chitosan hydrogel nanocomposites

Evaluation of Schiff base nanocomposite hydrogels properties using a benzaldehyde multifunctional amphiphilic polyacrylamide crosslinker in conjunction with glycol chitosan.

Graphical abstract: Self-healing and mechanical performance of dynamic glycol chitosan hydrogel nanocomposites
From the themed collection: Recent Open Access Articles
Paper

Triple perovskite oxide as an advanced pseudocapacitive material: multifarious element approach with an ordered structure

High capacitance and large potential window are prerequisites for high energy density aqueous supercapacitors.

Graphical abstract: Triple perovskite oxide as an advanced pseudocapacitive material: multifarious element approach with an ordered structure
From the themed collection: #RSCPoster Twitter Conference
Paper

Construction of noble-metal alloys of cobalt confined N-doped carbon polyhedra toward efficient water splitting

A ZIF-67 templated strategy is introduced to synthesize a series of alloys of cobalt (M–Co, M = Pt, Ru, Pd) by one-step pyrolysis.

Graphical abstract: Construction of noble-metal alloys of cobalt confined N-doped carbon polyhedra toward efficient water splitting
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Triarylborane catalysed N-alkylation of amines with aryl esters

B(C6F5)3 is demonstrated to be an active catalyst for N-alkylation reactions of amine substrates with aryl esters.

Graphical abstract: Triarylborane catalysed N-alkylation of amines with aryl esters
From the themed collection: #RSCPoster Twitter Conference
Paper

Rhombic-magnetoelastic/metal–organic framework functionalized resonators for highly sensitive toluene detection

Rhombic magnetoelastic sensors functionalized with MOFs have been applied for the wireless sensing of VOCs showing very promising results.

Graphical abstract: Rhombic-magnetoelastic/metal–organic framework functionalized resonators for highly sensitive toluene detection
From the themed collection: #RSCPoster Twitter Conference
Paper

Improving phase-transfer catalysis by enhancing non-covalent interactions

A theoretical study of the interactions established between an alkaloid quinine-derived PTC and different anions of interest was performed. Ion pairing competes with an intermolecular hydrogen bond between the PT counteranion and potential HB donors.

Graphical abstract: Improving phase-transfer catalysis by enhancing non-covalent interactions
From the themed collection: #RSCPoster Twitter Conference
Paper

Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism

In this study, we compare the charge transport properties of multiple (double stranded) dsRNA sequences with corresponding dsDNA sequences.

Graphical abstract: Multiscale modelling reveals higher charge transport efficiencies of DNA relative to RNA independent of mechanism
From the themed collection: #RSCPoster Twitter Conference
Paper

Photophysical and electrochemical properties of two trans-A2B-corroles: differences between phenyl or pyrenyl groups at the meso-10 position

The photophysical properties of two meso–trans-A2B-type corroles containing phenyl or pyrenyl units were reported in this study. TD-DFT calculations and electrochemical analysis were conducted to better understand the corrole molecular structures.

Graphical abstract: Photophysical and electrochemical properties of two trans-A2B-corroles: differences between phenyl or pyrenyl groups at the meso-10 position
From the themed collection: #RSCPoster Twitter Conference
Paper

Low-field NMR relaxation-exchange measurements for the study of gas admission in microporous solids

We demonstrate how low-field NMR relaxation-exchange correlation measurements permit the non-invasive characterisation of methane exchange dynamics within microporous LTA zeolites.

Graphical abstract: Low-field NMR relaxation-exchange measurements for the study of gas admission in microporous solids
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Electrochemiluminescent sensors as a screening strategy for psychoactive substances within biological matrices

Electrochemiluminescent sensors for point-of-care devices; a screening strategy for the direct detection of hallucinogens within a variety of biological matrices.

Graphical abstract: Electrochemiluminescent sensors as a screening strategy for psychoactive substances within biological matrices
From the themed collection: #RSCPoster Twitter Conference
Paper

Comparison of activation processes for 3D printed PLA-graphene electrodes: electrochemical properties and application for sensing of dopamine

This paper reports the comparison of the electrochemical properties of 3D PLA-graphene electrodes (PLA-G) under different activation conditions and through different processes.

Graphical abstract: Comparison of activation processes for 3D printed PLA-graphene electrodes: electrochemical properties and application for sensing of dopamine
From the themed collection: #RSCPoster Twitter Conference
Paper

Syntheses and electronic, electrochemical, and theoretical studies of a series of μ-oxo-triruthenium carboxylates bearing orthometalated phenazines

Phenazines orthometalation in [Ru33-O)(μ-OAc)5{μ-η1(C),η2(N,N)-L}(py)2]PF6 clusters provides new DNA metalo-intercalators. fsTA for such compounds is presented for the first time.

Graphical abstract: Syntheses and electronic, electrochemical, and theoretical studies of a series of μ-oxo-triruthenium carboxylates bearing orthometalated phenazines
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Response surface methodology for optimization of methylene blue adsorption onto carboxymethyl cellulose-based hydrogel beads: adsorption kinetics, isotherm, thermodynamics and reusability studies

Environment-friendly composite hydrogel beads based on carboxymethyl cellulose (CMC), alginate (Alg) and graphene oxide (GO) were synthesized by an ionotropic gelation technique and studied as an efficient adsorbent for methylene blue (MB).

Graphical abstract: Response surface methodology for optimization of methylene blue adsorption onto carboxymethyl cellulose-based hydrogel beads: adsorption kinetics, isotherm, thermodynamics and reusability studies
From the themed collection: #RSCPoster Twitter Conference
Paper

Electronic transport investigation of redox-switching of azulenequinones/hydroquinones via first-principles studies

Azulenequinone undergoes destructive quantum interference that leads to molecular switching behavior, as demonstrated by a combined first principles calculations and diagrammatic approaches.

Graphical abstract: Electronic transport investigation of redox-switching of azulenequinones/hydroquinones via first-principles studies
From the themed collection: #RSCPoster Twitter Conference
Paper

Ultralong cycle life and outstanding capacitive performance of a 10.8 V metal free micro-supercapacitor with highly conducting and robust laser-irradiated graphene for an integrated storage device

Interconnected conducting porous graphene as supercapacitive material as well as current collector for integrated metal-free microsupercapacitor (MSC) having ultra-long cycle life and outstanding capacitive performance.

Graphical abstract: Ultralong cycle life and outstanding capacitive performance of a 10.8 V metal free micro-supercapacitor with highly conducting and robust laser-irradiated graphene for an integrated storage device
From the themed collection: #RSCPoster Twitter Conference
Paper

Tracking pereirine and flavopereirine in pau-pereira using Raman and SERS spectroscopies

Raman and SERS spectroscopies have been used to identify the bioactive compounds pereirine and flavopereirine from stem bark, ethanolic crude extracts and infusions.

Graphical abstract: Tracking pereirine and flavopereirine in pau-pereira using Raman and SERS spectroscopies
From the themed collection: #RSCPoster Twitter Conference
Open Access Paper

Quantitative profile–profile relationship (QPPR) modelling: a novel machine learning approach to predict and associate chemical characteristics of unspent ammunition from gunshot residue (GSR)

Possibility to associate gunshot residues with other residues or their original ammunition has been demonstrated using a novel predictive approach.

Graphical abstract: Quantitative profile–profile relationship (QPPR) modelling: a novel machine learning approach to predict and associate chemical characteristics of unspent ammunition from gunshot residue (GSR)
From the themed collection: #RSCPoster Twitter Conference
Paper

Metal–azole fungistatic drug complexes as anti-Sporothrix spp. agents

Metal–antifungal drug complexes were investigated against fungus causing of sporotrichosis. They were more active against fungal cells than to mammalian cells.

Graphical abstract: Metal–azole fungistatic drug complexes as anti-Sporothrix spp. agents
From the themed collection: #RSCPoster Twitter Conference
Paper

Hierarchical nanopores formed by block copolymer lithography on the surfaces of different materials pre-patterned by nanosphere lithography

Block copolymer lithography for the nanopatterning of Au, Pt and TiO2 surfaces is presented; by combining this technique with nanosphere lithography, we create hierarchical nanopores.

Graphical abstract: Hierarchical nanopores formed by block copolymer lithography on the surfaces of different materials pre-patterned by nanosphere lithography
From the themed collection: #RSCPoster Twitter Conference
Paper

Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks

Amino acid-level barcoding of collagen piezoelectricity can be tuned using simple chemistry.

Graphical abstract: Deconstructing collagen piezoelectricity using alanine-hydroxyproline-glycine building blocks
From the themed collection: #RSCPoster Twitter Conference
Paper

Shining new light on ancient drugs: preparation and subcellular localisation of novel fluorescent analogues of Cinchona alkaloids in intraerythrocytic Plasmodium falciparum

Preparation of fluorescent analogues of quinine and quinidine reveals their localisation in live malaria parasites using confocal and super-resolution microscopy.

Graphical abstract: Shining new light on ancient drugs: preparation and subcellular localisation of novel fluorescent analogues of Cinchona alkaloids in intraerythrocytic Plasmodium falciparum
From the themed collection: #RSCPoster Twitter Conference
Conference Report

Five years of the #RSCPoster Twitter conference

#RSCPoster is a 24 hour poster conference on Twitter. The format has enabled hundreds to share research, with 32 million measurable impressions of #RSCPoster in 2020, participation growth each year and inspiring of new conferences. We outline of the history and content of the event.

Graphical abstract: Five years of the #RSCPoster Twitter conference
From the themed collection: #RSCPoster Twitter Conference
41 items

About this collection

The annual #RSCPoster Twitter Conference (https://rsc.li/poster) is our flagship celebration of science, drawing together researchers to network with peers, engage in scientific debate and share their research with the global chemistry community. The event takes place for just 24 hours on Twitter each year but following feedback from participants, we are showcasing work from poster presenters in this collection to give a more permanent home to the research presented.
If you have participated in an #RSCPoster and would like to present your work in this collection, please see our survey at https://www.smartsurvey.co.uk/s/RSCPoster/. Please note that to be featured, your work must be published in a Royal Society of Chemistry journal; we cannot display articles at other publishers on this platform. We will be continuously updating the collection and adding articles as requested by presenters, so please return to this page to view the latest works from the #RSCPoster community.

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