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Themed collection Celebrating Chemical Science in Latin America

35 items
Open Access Editorial

A diverse view of science to catalyse change

Valuing diversity leads to scientific excellence, the progress of science and, most importantly, it is simply the right thing to do. We must value diversity not only in words, but also in actions.

Graphical abstract: A diverse view of science to catalyse change
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Minireview

Noble gas endohedral fullerenes

This review focuses on the available experimental and theoretical investigations on noble gas (Ng) endohedral fullerenes, addressing the effects of confinement of one or more Ng atoms into the electronic structure and reactivity of fullerenes.

Graphical abstract: Noble gas endohedral fullerenes
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Anomalous structural dynamics of minimally frustrated residues in cardiac troponin C triggers hypertrophic cardiomyopathy

Cardiac TnC (cTnC) is highly conserved among mammals, and genetic variants can result in disease by perturbing Ca2+-regulation of myocardial contraction.

Graphical abstract: Anomalous structural dynamics of minimally frustrated residues in cardiac troponin C triggers hypertrophic cardiomyopathy
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Cooperative copper-squaramide catalysis for the enantioselective N–H insertion reaction with sulfoxonium ylides

The first examples of a highly efficient and enantioselective carbene-mediated insertion reaction, from a sulfur ylide, are described.

Graphical abstract: Cooperative copper-squaramide catalysis for the enantioselective N–H insertion reaction with sulfoxonium ylides
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Phase separation of p53 precedes aggregation and is affected by oncogenic mutations and ligands

Mutant p53 tends to form aggregates with amyloid properties, especially amyloid oligomers inside the nucleus, which are believed to cause oncogenic gain-of-function (GoF).

Graphical abstract: Phase separation of p53 precedes aggregation and is affected by oncogenic mutations and ligands
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Planar tetracoordinate fluorine atoms

The first global minima with a planar tetracoordinate fluorine atom are introduced. Their stabilization depends mainly on subtle ionic interactions and an adequate cavity.

Graphical abstract: Planar tetracoordinate fluorine atoms
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Engineering entangled photon pairs with metal–organic frameworks

The discovery and design of new materials with competitive optical frequency conversion efficiencies can accelerate the development of scalable photonic quantum technologies.

Graphical abstract: Engineering entangled photon pairs with metal–organic frameworks
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

2-Mercaptomethyl-thiazolidines use conserved aromatic–S interactions to achieve broad-range inhibition of metallo-β-lactamases

Metallo-β-lactamases (MBLs) are major culprits of resistance to carbapenems in bacteria. A series of thiazolidines are potent MBL inhibitors, restoring the activity of carbapenems. Metal binding and sulphur–π interactions are key to inhibition.

Graphical abstract: 2-Mercaptomethyl-thiazolidines use conserved aromatic–S interactions to achieve broad-range inhibition of metallo-β-lactamases
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines

This work describes the use of C–H⋯F–C contacts in the solid-state from the stator towards the rotator to fine-tune their internal motion, by constructing a set of interactions that generate close-fitting cavities in three supramolecular rotors 1–3I.

Graphical abstract: Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod

NMR crystallography establishes absolute unit-cell orientations relative to the shape change, revealing the atomic-resolution mechanism for the nanorod's photomechanical response.

Graphical abstract: Bridging photochemistry and photomechanics with NMR crystallography: the molecular basis for the macroscopic expansion of an anthracene ester nanorod
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

“Bottled” spiro-doubly aromatic trinuclear [Pd2Ru]+ complexes

Synthesis of a triangular [Pd2Ru]+ complex with delocalized metal–metal bonding between non-adjacent elements of the periodic table, double aromaticity and overlap of d-AOs with different angular momentum.

Graphical abstract: “Bottled” spiro-doubly aromatic trinuclear [Pd2Ru]+ complexes
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism

A trans-product is isolated and characterized under traditional hydroboration–oxidation conditions using Δ5-steroids as substrates. Experimental and theoretical studies indicate that the trans-species occurs via a retro-hydroboration mechanism.

Graphical abstract: trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Multiple rotational rates in a guest-loaded, amphidynamic zirconia metal–organic framework

Zirconia based metal–organic framework PEPEP-PIZOF-2 exhibits the emergent property of amphidynamic motion with organic links that show multiple rotational rates related to their molecular structure and independently from presence of molecular guests.

Graphical abstract: Multiple rotational rates in a guest-loaded, amphidynamic zirconia metal–organic framework
From the themed collection: Celebrating Chemical Science in Latin America
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: Celebrating Chemical Science in Latin America
Open Access Edge Article

Melting temperature measurement and mesoscopic evaluation of single, double and triple DNA mismatches

A comprehensive experimental and theoretical evaluation of all DNA mismatch contexts, providing an insight into the intra-molecular interactions.

Graphical abstract: Melting temperature measurement and mesoscopic evaluation of single, double and triple DNA mismatches
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Molecular-level insight in supported olefin metathesis catalysts by combining surface organometallic chemistry, high throughput experimentation, and data analysis

Combination of high-throughput experimentation, surface organometallic chemistry and data analysis helps to extract key structural parameters that facilitate olefin metathesis.

Graphical abstract: Molecular-level insight in supported olefin metathesis catalysts by combining surface organometallic chemistry, high throughput experimentation, and data analysis
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

CuA-based chimeric T1 copper sites allow for independent modulation of reorganization energy and reduction potential

Attaining rational modulation of thermodynamic and kinetic redox parameters of metalloproteins is a key milestone towards the (re)design of proteins with new or improved redox functions.

Graphical abstract: CuA-based chimeric T1 copper sites allow for independent modulation of reorganization energy and reduction potential
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways

Unprecedented Pt- and Au-catalyzed divergent annulations of allenedienes are uncovered, together with mechanistic studies that reveal unanticipated pathways wherein homo-hyperconjugative interactions play a key role.

Graphical abstract: Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires

Experimental and theoretical methods characterize the thermodynamics of electrochemically driven proton-coupled electron transfer processes in bioinspired constructs involving multiple proton translocations over Grotthus-type proton wires.

Graphical abstract: Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Exploiting the versatile alkyne-based chemistry for expanding the applications of a stable triphenylmethyl organic radical on surfaces

Triphenylmethyl organic radicals functionalized with terminal alkyne groups open new avenues for their implementation as multifunctional surfaces.

Graphical abstract: Exploiting the versatile alkyne-based chemistry for expanding the applications of a stable triphenylmethyl organic radical on surfaces
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Covalent bonds in positron dihalides

We report a computational study on homo- and heteronuclear e+[XY] compounds formed by two halide anions (X, Y = F, Cl, Br) and one positron.

Graphical abstract: Covalent bonds in positron dihalides
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core

Silylethyne-functionalized benzodithiophene serves as a universal crystal engineering core to yield stable, soluble, π-stacked arrays of aromatic chromophores.

Graphical abstract: Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Configuration determination by residual dipolar couplings: accessing the full conformational space by molecular dynamics with tensorial constraints

The use of tensorial orientational constraints for NMR-derived residual dipolar couplings (RDCs) in molecular dynamics simulations brings detailed structural models of flexible molecules in solution in reach.

Graphical abstract: Configuration determination by residual dipolar couplings: accessing the full conformational space by molecular dynamics with tensorial constraints
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Unravelling the conductance path through single-porphyrin junctions

By studying transport through seven structurally related porphyrin derivatives with a machine learning algorithm we could identify and distinguish three different electronic paths.

Graphical abstract: Unravelling the conductance path through single-porphyrin junctions
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Engineering multilayer chemical networks

History and layer design as new features in dynamic multilayer networks.

Graphical abstract: Engineering multilayer chemical networks
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Covalency and magnetic anisotropy in lanthanide single molecule magnets: the DyDOTA archetype

The unexpected covalent contribution in the DOTADy-OH2 bond revealed by ab initio calculations of the easy axis of magnetization through simple H2O rotations.

Graphical abstract: Covalency and magnetic anisotropy in lanthanide single molecule magnets: the DyDOTA archetype
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Pushing the analytical limits: new insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power

A new strategy has been developed for characterization of the most challenging complex mixtures to date, using a combination of custom-designed experiments and a new data pre-processing algorithm.

Graphical abstract: Pushing the analytical limits: new insights into complex mixtures using mass spectra segments of constant ultrahigh resolving power
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Exploring the dual functionality of an ytterbium complex for luminescence thermometry and slow magnetic relaxation

A combined experimental and theoretical approach reveals the intricacies related to an YbIII complex, which functions dually as a SMM and a luminescent thermometer.

Graphical abstract: Exploring the dual functionality of an ytterbium complex for luminescence thermometry and slow magnetic relaxation
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Origin of the isotropic motion in crystalline molecular rotors with carbazole stators

Herein we report two crystalline molecular rotors 1 and 4 that show extremely narrow signals in deuterium solid-state NMR spectroscopy.

Graphical abstract: Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions

BODIPY as an EWG in asymmetric catalysis is presented.

Graphical abstract: BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P–O–C–C four-membered ring

The synthesis and characterization of a stereoisomer pair of 12-P-6 alkyloxaphosphates synthesised from pentacoordinate phosphoranes.

Graphical abstract: Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P–O–C–C four-membered ring
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Ultraspecific live imaging of the dynamics of zebrafish neutrophil granules by a histopermeable fluorogenic benzochalcone probe

A fluorogenic benzochalcone specifically labels live neutrophil granules in whole wild-type, GFP- or RFP-expressing zebrafish embryos and larvae.

Graphical abstract: Ultraspecific live imaging of the dynamics of zebrafish neutrophil granules by a histopermeable fluorogenic benzochalcone probe
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations

Phosphofructokinases catalyze the ATP-dependent phosphorylation of fructose-6-phosphate and they are highly regulated.

Graphical abstract: Studying the phosphoryl transfer mechanism of the E. coli phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations
From the themed collection: Celebrating Chemical Science in Latin America
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: Celebrating Chemical Science in Latin America
Open Access Edge Article

Lipid-independent control of endothelial and neuronal TRPC3 channels by light

A new photochromic ligand enables high precision control over native TRPC channels.

Graphical abstract: Lipid-independent control of endothelial and neuronal TRPC3 channels by light
From the themed collection: Celebrating Chemical Science in Latin America
35 items

About this collection

In celebration of the excellence and breadth of Latin American research achievements across the chemical sciences, we are delighted to present a collection of articles showcasing research from authors in Latin America. Including contributions from our Associate Editor Gabriel Merino, this collection highlights a broad range of research topics including contributions in the area of mechanochemical reactions, engineered metal-organic framework systems, and research looking at hydrogen-bonded amphidynamic crystals.

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