Themed collection 2024 Chemical Science HOT Article Collection

54 items
Open Access Perspective

Opportunities and challenges for plastic depolymerization by biomimetic catalysis

This perspective highlights the challenges and opportunities in achieving sustainable plastic recycling under mild conditions by imitating the active sites and the substrate-binding clefts of enzymes.

Graphical abstract: Opportunities and challenges for plastic depolymerization by biomimetic catalysis
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Perspective

Connecting chemical worlds for a sustainable future

While chemistry has a role as the central science, other sciences are also central to solving the problems that lie ahead. To be more effective in this endeavor, we need to connect disciplines and break down the silos that artificially separate them.

Graphical abstract: Connecting chemical worlds for a sustainable future
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Perspective

Revisiting poly(vinyl chloride) reactivity in the context of chemical recycling

An overview of PVC functionalization through the lens of chemical recycling.

Graphical abstract: Revisiting poly(vinyl chloride) reactivity in the context of chemical recycling
Open Access Perspective

Hybrid and composite materials of organic crystals

Combining organic crystals and polymers results in a new class of all-organic, lightweight, flexible materials with unprecedented mechanical robustness, resilience, and diversity in combination with other functional materials.

Graphical abstract: Hybrid and composite materials of organic crystals
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Review Article

Hard carbon for sodium-ion batteries: progress, strategies and future perspective

Recent progress of preparation approaches for HCs is systematically overviewed, with a special focus on the comparison between traditional fabrication methods and advanced strategies regarding their influence on performance.

Graphical abstract: Hard carbon for sodium-ion batteries: progress, strategies and future perspective
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Review Article

The status and challenging perspectives of 3D-printed micro-batteries

Recent advances and present status of 3D-printed micro-batteries with respect to the connection between printable materials and printing techniques, as well as the rational design considerations are summarized.

Graphical abstract: The status and challenging perspectives of 3D-printed micro-batteries
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Review Article

Recent advances in electrolyte molecular design for alkali metal batteries

In response to societal developments and the growing demand for high-energy-density battery systems, alkali metal batteries (AMBs) have emerged as promising candidates for next-generation energy storage.

Graphical abstract: Recent advances in electrolyte molecular design for alkali metal batteries
Open Access Edge Article

Unraveling the mechanisms of triplet state formation in a heavy-atom free photosensitizer

Triplet excited states play a pivotal role in photosensitizers. Detailed simulations reveal how these states are formed efficiently in heavy-atom free systems.

Graphical abstract: Unraveling the mechanisms of triplet state formation in a heavy-atom free photosensitizer
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

100% selective cyclotrimerization of acetylene to benzene on Ag(111)

If a critical acetylene surface coverage threshold above one monolayer is attained, acetylene conversion to benzene occurs with 100% selectivity on Ag(111). The presence of multiple monolayers has the unforeseen effect of increasing benzene production while maintaining selectivity.

Graphical abstract: 100% selective cyclotrimerization of acetylene to benzene on Ag(111)
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Seeing is believing: what is on the surface of silver nanocrystals suspended in their original reaction solution

Surface-enhanced Raman scattering was used to resolve the chemical species, including chloride ions, on the surface of Ag nanocrystals in their original reaction solution, avoiding changes to the surface while eliminating possible artifacts.

Graphical abstract: Seeing is believing: what is on the surface of silver nanocrystals suspended in their original reaction solution
Open Access Edge Article

Manipulating the functionality and structures of π-conjugated polymers utilizing intramolecular noncovalent interactions towards efficient organic photovoltaics

We synthesized a series of naphthobisthiadiazole-polymers by systematically introducing the alkyl, ester, and fluorine groups in the quaterthiophene co-unit and studied the effect of noncovalent interactions on physical and photovoltaic properties.

Graphical abstract: Manipulating the functionality and structures of π-conjugated polymers utilizing intramolecular noncovalent interactions towards efficient organic photovoltaics
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Streamlining the automated discovery of porous organic cages

Efficiently merging low-cost high-throughput screening and characterisation, automated data analysis, computational modelling, and cagey – a custom database analysis tool, enhances large-scale data curation and accelerates discovery of organic cages.

Graphical abstract: Streamlining the automated discovery of porous organic cages
From the themed collection: #MyFirstChemSci 2024
Open Access Edge Article

Cross-coupling of organic fluorides with allenes: a silyl-radical-relay pathway for the construction of α-alkynyl-substituted all-carbon quaternary centres

Cross-coupling of organic fluorides with allenes via radical rearrangement to afford all-carbon quaternary centres mediated by silylboronate/potassium tert-butoxide is disclosed.

Graphical abstract: Cross-coupling of organic fluorides with allenes: a silyl-radical-relay pathway for the construction of α-alkynyl-substituted all-carbon quaternary centres
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Phosphorescent acyclic cucurbituril solid supramolecular multicolour delayed fluorescence behaviour

Solid supramolecular phosphorescence between glycoluril derivatives and polyvinyl alcohol exhibited a green afterglow with a lifetime of 2.12 s, and a self-crimping configuration endows them with ability to encapsulate guests to achieve TS-FRET.

Graphical abstract: Phosphorescent acyclic cucurbituril solid supramolecular multicolour delayed fluorescence behaviour
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Oxidation-induced ambiphilicity triggers N–N bond formation and dinitrogen release in octahedral terminal molybdenum(V) nitrido complexes

N–N bond formation in octahedral, terminal d1 Mo(V) nitridos to give μ-dinitrogen complexes requires one eletron oxidation with 0.5 equivalents of oxidant to open a kinetically feasible ambiphilic nitrido coupling pathway.

Graphical abstract: Oxidation-induced ambiphilicity triggers N–N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Accepted Manuscript - Edge Article

A Tin Analogue of Propadiene with Cumulated C=Sn Double Bonds

From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Electronic isomerism in a heterometallic nickel–iron–sulfur cluster models substrate binding and cyanide inhibition of carbon monoxide dehydrogenase

A protein-based model of carbon monoxide dehydrogenase displays distinct X-ray absorption, EPR, and vibrational signatures upon CO and CN binding that support ligand-dependent electronic rearrangement throughout the nickel–iron–sulfur core.

Graphical abstract: Electronic isomerism in a heterometallic nickel–iron–sulfur cluster models substrate binding and cyanide inhibition of carbon monoxide dehydrogenase
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Efficient automated solid-phase synthesis of recognition-encoded melamine oligomers

An automated solid-phase synthesis route has been developed to rapidly synthesise recognition-encoded melamine oligomer sequences up to 42 monomer units long in remarkably high yield and excellent crude purity.

Graphical abstract: Efficient automated solid-phase synthesis of recognition-encoded melamine oligomers
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Investigation on the substrate specificity and N-substitution tolerance of PseF in catalytic transformation of pseudaminic acids to CMP-Pse derivatives

A series of synthetic pseudaminic acid analogues bearing different N5/N7 substitutions were transformed enzymatically into corresponding CMP-Pse species via PseF catalysis, which demonstrated the substrate promiscuity of PseF.

Graphical abstract: Investigation on the substrate specificity and N-substitution tolerance of PseF in catalytic transformation of pseudaminic acids to CMP-Pse derivatives
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

IronIII-catalyzed asymmetric inverse-electron-demand hetero-Diels–Alder reaction of dioxopyrrolidines with simple olefins

A highly enantioselective [4 + 2] cycloaddition of a number of simple olefins with cyclic hetero-diene of dioxopyrrolidines is realized by a chiral iron(III)/N,N′-dioxide complex catalyst.

Graphical abstract: IronIII-catalyzed asymmetric inverse-electron-demand hetero-Diels–Alder reaction of dioxopyrrolidines with simple olefins
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework

A deep blue TADF emitter composed of rigid D and A units was developed. BOC-PSi-based OLED exhibited not only an impressive EQEmax approaching 20%, but also a superior color purity approaching the Rec.2020 blue standard.

Graphical abstract: Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Delocalisation enables efficient charge generation in organic photovoltaics, even with little to no energetic offset

Simulations reveal that both charge and exciton delocalisation can significantly improve the efficiency of charge generation in organic photovoltaics and explain the failure of classical hopping approaches.

Graphical abstract: Delocalisation enables efficient charge generation in organic photovoltaics, even with little to no energetic offset
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes

Cyclopropyl-substituted sulfonium salts are obtained by Rh-catalysed addition of α-diazo dibenzothiophenium salts to olefins. When indenes are used as substrates, initially formed cyclopropyl rings open with concomitant elimination of dibenzothiophene, enabling access to 2-substituted naphthalenes.

Graphical abstract: Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Fluorescent carbazole-derived α-amino acids: structural mimics of tryptophan

Unnatural α-amino acids bearing carbazole side-chains have been shown to be effective structural mimics of tryptophan in peptides and valuable fluorescent probes for the analysis of protein–protein interactions.

Graphical abstract: Fluorescent carbazole-derived α-amino acids: structural mimics of tryptophan
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

s-Block metal complexes of superbulky (tBu3Si)2N: a new weakly coordinating anion?

The extremely challenging deprotonation of the amine (tBu3Si)2NH led to a range of s-block metal complexes with superbulky (tBu3Si)2N. Depending on metal and solvent, (tBu3Si)2N can be classified as a halogen-free weakly coordinating anion.

Graphical abstract: s-Block metal complexes of superbulky (tBu3Si)2N−: a new weakly coordinating anion?
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Halide-free synthesis of metastable graphitic BC3

A halide-free route to the synthesis of graphitic BC3 was discovered via decomposition temperature matching: benzene (C6H6) as the carbon precursor and the borohydride anion (BH4) as the boron precursor.

Graphical abstract: Halide-free synthesis of metastable graphitic BC3
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Site-directed cation ordering in chabazite-type AlxGa1−xPO4-34 frameworks revealed by NMR crystallography

NMR crystallography exposes preferential site ordering of Al and Ga in new mixed-metal phosphate frameworks.

Graphical abstract: Site-directed cation ordering in chabazite-type AlxGa1−xPO4-34 frameworks revealed by NMR crystallography
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Mesoporous Mo-doped PtBi intermetallic metallene superstructures to enable the complete electrooxidation of ethylene glycol

Novel freestanding M-PtBiMo IMSs were achieved via a simple and effective one-step wet chemical method. The M-PtBiMo IMSs as highly efficient anode electrocatalysts boosted the activity and stability toward the EGOR and actual DEGFCs.

Graphical abstract: Mesoporous Mo-doped PtBi intermetallic metallene superstructures to enable the complete electrooxidation of ethylene glycol
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Controllable π–π coupling of intramolecular dimer models in aggregated states

In situ regulation of π–π coupling was realized with the combination of rigid intramolecular dimer models and external stimuli, mainly due to the balance of π–π and solvent–π interactions. The results establish the quantitative relationship between emission properties and π–π distances.

Graphical abstract: Controllable π–π coupling of intramolecular dimer models in aggregated states
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

A covalent organic framework as a dual-active-center cathode for a high-performance aqueous zinc-ion battery

We designed a covalent organic framework (TA-PTO-COF) as a dual-active-center cathode. This work presents a promising organic cathode material for a high-performance aqueous zinc-ion battery.

Graphical abstract: A covalent organic framework as a dual-active-center cathode for a high-performance aqueous zinc-ion battery
From the themed collection: 2024 ChemSci Pick of the Week Collection
Open Access Edge Article

The superiority of Pd2+ in CO2 hydrogenation to formic acid

The hydrogenation of CO2 to formic acid is catalyzed for the first time by a Pd2+ catalyst, Pd–V/AC–air. The superiority of Pd2+ over Pd0 is confirmed by a combination of DFT and experimental results.

Graphical abstract: The superiority of Pd2+ in CO2 hydrogenation to formic acid
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Investigating the diastereoselective synthesis of a macrocycle under Curtin–Hammett control

The Curtin–Hammett principle is used to understand the diastereoselective synthesis of a heterochiral over a homochiral macrocycle, both of which are configurationally stable chiral macrocycles.

Graphical abstract: Investigating the diastereoselective synthesis of a macrocycle under Curtin–Hammett control
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived Z-isomers with visible light

Simple structural modifications significantly boost the photochromic performance of imine-based photoswitches. This work lays a foundation for exploring new motifs in light-addressable dynamic combinatorial chemistry.

Graphical abstract: Photoswitchable imines: aryliminopyrazoles quantitatively convert to long-lived Z-isomers with visible light
From the themed collection: 2024 ChemSci Pick of the Week Collection
Open Access Edge Article

Discovery of antibacterial manganese(I) tricarbonyl complexes through combinatorial chemistry

To accelerate the discovery of novel metalloantibiotics we applied combinatorial synthesis to the preparation of 420 novel manganese tricarbonyl complexes.

Graphical abstract: Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption

The utilization of multi-site modifications brings about the manipulation of excited-state processes and multi-stimuli responses of salicylaldehyde Schiff base isomers, which can be successfully applied in multi-level decryption.

Graphical abstract: Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Organocatalytic enantioselective synthesis of Csp2–N atropisomers via formal Csp2–O bond amination

An organocatalyzed asymmetric synthesis of Csp2–N atropisomers by formal Csp2–O amination has been established from 3-alkynyl-3-hydroxyisoindolinones and 1-methylnaphthalen-2-ols.

Graphical abstract: Organocatalytic enantioselective synthesis of Csp2–N atropisomers via formal Csp2–O bond amination
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

In situ SERS imaging of protein-specific glycan oxidation on living cells to quantitatively visualize pathogen–cell interactions

A SERS imaging strategy is developed to quantitatively visualize the protein-specific glycan oxidation mediated pathogen–cell interactions and pathogen-resistance mechanisms.

Graphical abstract: In situ SERS imaging of protein-specific glycan oxidation on living cells to quantitatively visualize pathogen–cell interactions
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Rare-earth metal ethylene and ethyne complexes

An unprecedented rare-earth ethyne complex is presented, and the α-H abstraction and C–C σ bond metathesis mechanism is proposed based on DFT calculations. The first example of a well-defined non-Cp rare-earth ethylene complex via the β-H abstraction reaction is also described herein.

Graphical abstract: Rare-earth metal ethylene and ethyne complexes
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Iron(IV) alkyl complexes: electronic structure contributions to Fe–C bond homolysis and migration reactions that form N–C bonds from N2

Silylation of iron-alkyl-dinitrogen complexes gives high-spin iron(IV) products that also have an iron(II) resonance structure. The stability and reactivity of these compounds depends on the alkyl group, with insertion and homolysis observed.

Graphical abstract: Iron(iv) alkyl complexes: electronic structure contributions to Fe–C bond homolysis and migration reactions that form N–C bonds from N2
From the themed collection: 2024 ChemSci Pick of the Week Collection
Open Access Edge Article

Busting the myth of spontaneous formation of H2O2 at the air–water interface: contributions of the liquid–solid interface and dissolved oxygen exposed

The air–water interface is not the site for H2O2(aq) formation; instead, it takes place at the solid–water interface.

Graphical abstract: Busting the myth of spontaneous formation of H2O2 at the air–water interface: contributions of the liquid–solid interface and dissolved oxygen exposed
From the themed collection: 2024 ChemSci Pick of the Week Collection
Open Access Edge Article

The pressure response of Jahn–Teller-distorted Prussian blue analogues

Jahn–Teller (JT) distorted CuII-containing compounds often display interesting structural and functional behaviour upon compression.

Graphical abstract: The pressure response of Jahn–Teller-distorted Prussian blue analogues
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring

Despite theoretical difficulties, we herein for the first time demonstrate an effective concept for the synthesis of an orange-red multiple resonance (MR) emitter centered on a pyridine ring via stereo effects.

Graphical abstract: Stereo effects for efficient synthesis of orange-red multiple resonance emitters centered on a pyridine ring
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Frustrated Lewis pairs on pentacoordinated Al3+-enriched Al2O3 promote heterolytic hydrogen activation and hydrogenation

Pentacoordinated Al3+-enriched Al2O3 containing abundant frustrated Lewis pairs activates H2 through a heterolytic mechanism and effectively catalyzes the hydrogenation of unsaturated bonds (C[double bond, length as m-dash]C, C[triple bond, length as m-dash]C and C[double bond, length as m-dash]O) through a stepwise process.

Graphical abstract: Frustrated Lewis pairs on pentacoordinated Al3+-enriched Al2O3 promote heterolytic hydrogen activation and hydrogenation
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences

PoseBusters assesses molecular poses using steric and energetic criteria. We find that classical protein-ligand docking tools currently still outperform deep learning-based methods.

Graphical abstract: PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
From the themed collection: 2024 ChemSci Pick of the Week Collection
Open Access Edge Article

A scalable synthesis of adjuvanting antigen depots based on metal–organic frameworks

ZIF-8 vaccine enhances the humoral immune response through sustained antigen exposure to the immune system whilst zinc adjuvants the vaccine via inducing T cell activation.

Graphical abstract: A scalable synthesis of adjuvanting antigen depots based on metal–organic frameworks
From the themed collection: 2024 ChemSci Pick of the Week Collection
Open Access Edge Article

Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells

Lewis-basic oxygen and sulfur heteroatoms are introduced to novel asymmetric self-assembled monolayers, realizing enhanced packing, effectively adjusting ITO work function, and passivating buried interface in inverted perovskite solar cells.

Graphical abstract: Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Unravelling the carbonate issue through the regulation of mass transport and charge transfer in mild acid

Regulating the electrolyte hydrodynamics substantially reduces the proton diffusion length by 80%, which promotes the recovery of carbonate and leads to enhanced single-pass utilization of CO2 in mild acidic electrolyte.

Graphical abstract: Unravelling the carbonate issue through the regulation of mass transport and charge transfer in mild acid
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Evidence for Suzuki–Miyaura cross-couplings catalyzed by ligated Pd3-clusters: from cradle to grave

Pdn clusters offer unique selectivity and exploitable reactivity in catalysis. Tethering Pd3 clusters to a resin unlocks compelling new insight into the speciation of Pd during catalytic turnover for Suzuki–Miyaura cross-couplings.

Graphical abstract: Evidence for Suzuki–Miyaura cross-couplings catalyzed by ligated Pd3-clusters: from cradle to grave
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Determining the key vibrations for spin relaxation in ruffled Cu(II) porphyrins via resonance Raman spectroscopy

By using resonance Raman spectroscopy and temperature-dependent pulse EPR spectroscopy, we show that bond stretching vibrational modes > 200 cm−1 drive spin relaxation in planar and ruffled copper porphyrins.

Graphical abstract: Determining the key vibrations for spin relaxation in ruffled Cu(ii) porphyrins via resonance Raman spectroscopy
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides

An NHC-stabilized heavier nitrile ylide activates white phosphorus, undergoing inorganic Huisgen-type [3 + 2] cycloaddition to form a unique heterocycle with four heteroatoms from groups 14, 15, and 16.

Graphical abstract: Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides
From the themed collection: #MyFirstChemSci 2024
Open Access Edge Article

The fate of the contact ion pair determines the photochemistry of coumarin-based photocleavable protecting groups

Improving the efficiency of photocleavable protecting groups is crucial for their application. Here we reveal how the fate of the contact ion pair intermediate plays a key role in defining this efficiency.

Graphical abstract: The fate of the contact ion pair determines the photochemistry of coumarin-based photocleavable protecting groups
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Mono- and bis-Pd(II) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(II) coordination, macrocycle contraction and ancillary ligands

From a single N-confused dithiahexaphyrin ligand, five mono- and bis-Pd(II) complexes have been synthesized, and the absorption and aromaticity can be modulated by Pd(II) coordination, macrocycle contraction and ancillary ligands.

Graphical abstract: Mono- and bis-Pd(ii) complexes of N-confused dithiahexaphyrin(1.1.1.1.1.0) with the absorption and aromaticity modulated by Pd(ii) coordination, macrocycle contraction and ancillary ligands
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes

The stereoselective synthesis of alkylboronic esters from vinyl iodides and various nucleophiles, alkenes or alkynes is presented. Reactions proceed through hydroborations and 1,2-metallate rearrangements without any transition metal catalyst.

Graphical abstract: Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes
From the themed collection: 2024 Chemical Science HOT Article Collection
Open Access Edge Article

Designing solvent systems using self-evolving solubility databases and graph neural networks

Our self-evolving graph neural networks for predicting solubilities reconciled different magnitudes of errors and uncertainties of experimental and computational databases, maximizing the database size and the model’s prediction accuracy.

Graphical abstract: Designing solvent systems using self-evolving solubility databases and graph neural networks
From the themed collection: 2024 ChemSci Pick of the Week Collection
54 items

About this collection

This on-going web collection showcases all of the HOT Chemical Science articles published in 2024, as recommended by referees. Congratulations to all of the authors whose articles are featured.

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