Chem by Cell Press

From “heavy” water to “heavy” boron clusters In this issue of Chem, Liang et al. report a general and operationally straightforward strategy for the perdeuteration of closo-borane clusters. By employing palladium catalysis, the authors demonstrate efficient catalytic late-stage transfer of deuterium from heavy water (D2O) to B–H vertices across a broad range of boron cluster frameworks.

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CO2 capture with post-modified nitrile and styrene-butadiene-styrene rubbers Using carbon capture to abate climate change is an immense challenge due to the current gigaton-per-year scale CO2 emissions, which will require enormous amounts of CO2-sorbing materials from readily available and low-cost feedstocks. Substantial waste fractions, such as single-use nitrile gloves or related rubbers, are shown here to be converted into effective adsorbents for potential use within point-source CO2 capture, such as from flue gases. This work shows a proof of concept to upcycle waste to be used for carbon capture.

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Online now: Unstructured protein mimics have enzymatic activity

Understanding and mitigating degradation in amine-based sorbents for CO2 direct air capture Direct air capture of CO2 via amine-based sorbents is currently limited by sorbent degradation. This review connects mechanisms of degradation to sorbent chemistry and process conditions, discusses design strategies for more durable materials, and outlines future directions for improving sorbent lifetime.

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p-p orbital hybridization enables durable aqueous zinc-iodine batteries Orbital engineering of p-p hybridization in iodine host materials is demonstrated to enable efficient and durable AZIBs. By incorporating a rationally designed p-block element of Bi SACs with strong interaction between the 6p orbital of Bi and the 5p orbital of iodine, the target Bi-NC catalysts favor rapid redox kinetics and a suppressed polyiodide shuttle effect, delivering exceptional durability with negligible capacity decay at an ultra-high current density of 16 A g−1 over 100,000 cycles.

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A redesigned aldehyde dehydrogenase enables intermolecular biocatalytic amide formation from aldehydes and amines Amide formation represents a key reaction in pharmaceutical synthesis, for which more environmentally friendly methods are sought. In Science, Gao et al. report a biocatalytic oxidative strategy exploiting a redesigned aldehyde dehydrogenase that allows the coupling of aldehydes with amines at the expense of an oxidant [NAD(P)+, molecular oxygen].

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Data-driven copper catalysis enables stereoselective fluorocyclopropanation Stereoselective construction of fluorinated cyclopropanes is historically difficult. We present a data-driven copper-catalyzed platform that pairs automated high-throughput experiments with machine learning informed by carbene mechanistic descriptors. The workflow reliably produces highly enantio- and diastereoselective fluorocyclopropanes, scales to gram quantities, and accelerates access to fluorinated drug-like scaffolds—showing how AI and automation can make stereochemical optimization faster and more predictive.

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Reimagining metal-organic framework discovery: Integrating experiment, computation, and artificial intelligence The convergence of automated synthesis, computational materials design, and artificial intelligence (AI) is reshaping metal-organic framework (MOF) discovery. This perspective highlights advances in automated MOF synthesis, high-throughput characterization, and computational screening, and explores how these tools can be integrated with AI into autonomous workflows. Key challenges in instrumentation, data infrastructure, and experiment-theory alignment are discussed as guiding considerations for the MOF laboratories of the future.

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Light-controlled colloidal crystallization Light-sensitive molecules are used for controlling both the attraction and repulsion between microscopic particles. This light control enables the local self-assembly of well-ordered crystal-like microstructures, and controlling light intensity and local illumination can achieve “colloidal crystallization” with excellent precision.

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Catalysis, replication, and non-equilibrium behavior: Key determinants for life-like complexity realized using short peptides A short peptide-based system is shown that can integrate self-replication with catalytic competence to exhibit complex non-equilibrium behavior. Substrate-driven self-replicators demonstrate an antagonistic relationship where the catalytic self-degradation of one replicating set enables the system to adapt and select a new set of fitter successor replicators exclusively out of equilibrium.

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Selective recognition of quaternary ammonium cations Conventional interaction models predict that less substituted ammonium cations should be more strongly recognized by synthetic receptors because of their enhanced hydrogen-bond donation and cation-π interactions. Here, we overturn this paradigm by integrating supramolecular recognition with solid-phase abstraction to achieve thermodynamically controlled and highly selective isolation of quaternary ammonium cations. Our adaptive BINOL·counterion networks operate across diverse scaffolds and in aqueous environments, redefining substitution-dependent selectivity in ammonium recognition.

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Dual-polarization fluorescent DNA framework nanomaterials DNA origami offers a programmable way to arrange fluorescent molecules into architectures with tailored optical behaviors. By encoding dye orientation and interactions within the DNA framework, we create structures that emit two distinct polarization signals whose balance can be precisely controlled. This built-in optical signature allows the 3D orientation of the DNA structures to be read out without complex instrumentation. Our approach provides a general strategy for designing fluorescent materials with customizable, structure-encoded properties for imaging and photonic applications.

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Electrified CO2 uptake in quinone-based covalent organic frameworks Electrochemical CO2 capture using molecular quinones is often limited by solubility and oxygen sensitivity in liquid systems. Embedding quinones into porous covalent organic frameworks (COFs) enhances stability, shifts reactivity into an oxygen-tolerant regime, and localizes redox activity to the solid sorbent. We developed a scalable synthesis of quinone-based COFs and validated their performance in a device operating under simulated flue gas, capturing CO2 efficiently for 80 h. This approach offers a promising, solid-state pathway toward electrochemical carbon-capture technologies.

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The ElectroChemputer: A digital infrastructure framework for programmable electrochemistry Electrochemical synthesis is a key technology for sustainable chemistry. The current lack of standardized methodologies makes reproducibility, scale-up, and transfer to industry a challenge. In this issue of Chem, Cronin and co-workers disclose the ElectroChemputer, a programmable, modular, digitally controlled platform that unifies electrochemical synthesis, monitoring, and data-driven reaction control.

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ElectroChemputer with integrated monitoring for programmable electrochemistry The ElectroChemputer is a programmable, modular platform that unifies automated electrochemical synthesis with real-time analytical feedback. By integrating nuclear magnetic resonance monitoring with electroanalysis, the system enables the parallel execution of diverse and complex synthetic protocols. This reproducible infrastructure sets a new standard for electrosynthesis.

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Aluminum redox catalysis has a ring to it Redox catalysis promoted by molecular aluminum complexes has not been previously documented. Now in Nature, Zhang and Liu report the use of an aluminum(I) redox catalyst for the regioselective assembly of 1,2,4-substituted benzenes from terminal alkynes. This work provides a foundational blueprint for designing redox-active aluminum complexes for future homogeneous catalysis.

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Vacancy-interface coupling in nanomaterials for photocatalytic energy and environmental applications Vacancy-interface coupling integrates defect chemistry with interfacial band modulation to steer charge separation, strengthen redox pathways, and enhance photocatalytic transformations. This strategy enables efficient photocatalytic H2 production, H2O2 evolution, CO2 reduction, and pollutant degradation while driving the photoreforming of plastics and biomass through synergistic vacancy-induced band restructuring and interfacial electric fields.

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A radical–polar crossover approach to complex nitrogen heterocycles via the triplet state Precisely positioning a leaving group has been shown to divert certain alkene photocyclizations from isomerization—the usual result of this type of reaction—to iminium salt formation. Trapping this ionic intermediate with nucleophiles enables the rapid assembly of structurally complex and chemically diverse nitrogen-containing ring systems.

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A donor-acceptor porous organic polymer anchoring a high density of cobalt single sites realizes full-spectrum photothermal CO2 hydrogenation The efficient utilization of the full solar spectrum in photothermal CO2 hydrogenation remains a major challenge in catalyst design. Here, a two-dimensional donor-acceptor porous organic polymer with high-density, atomically dispersed Co sites is developed for efficient full-spectrum CO2 hydrogenation. The Co single sites enhance charge separation and infrared absorption, achieving excellent photothermal conversion efficiency and CO production performance.

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TriCAN: A phase-transition molecular robot realizing closed-loop sense-compute-actuate control for inflammation-triggered bone regeneration Most drug carriers fire as soon as they see one signal, even if the tissue is not truly diseased. This work builds a peptide “nanorobot,” TriCAN (tri-phasic cell-adaptive nanorobot), that waits for three conditions: contact with a bone-forming stem cell, acidic pH, and excess oxidants. Only then does a gel-to-droplet-to-solution phase transition uncage a bone-regenerating peptide, repairing inflamed periodontal bone while sparing healthy sites.

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Nucleophilic regioselective meta-halogenation and -sulfuration of pyridine N-oxides Song and co-workers report a nucleophilic, C-5-regioselective halogenation of pyridines via an in situ dearomatization-rearomatization strategy. The commercial availability of halogenating reagents—imidoyl halides—and operational simplicity endow this method with practical value. This nucleophilic halogenation strategy can serve as a beneficial complement to existing electrophilic or radical meta-halogenation methods for pyridines.

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Zeolite framework flexibility: A new dimension for zeolite catalysts Zeolites, essential crystalline materials in chemical industry, have traditionally been viewed as rigid molecular sieves. This perspective, however, reveals their dynamic nature—zeolite frameworks are inherently flexible, capable of adapting their structure during catalysis. While this flexibility can enhance desired chemical transformations, it may also lead to unwanted byproducts. Learning to control this adaptive property opens new pathways for designing intelligent catalysts, enabling sustainable chemical processes. This understanding represents a fundamental shift in our approach to utilizing these versatile materials.

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Directional long-distance signal transmission on two-dimensional DNA origami assemblies Directional and long-distance molecular signal transmission is essential to enable advanced DNA computing. A bridged connection strategy is developed to enable scalable and seamless assembly of double-layer square DNA origami units, allowing directional molecular signal transmission over 500 nm and the implementation of DNA logic circuits across two origamis.

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Ammonia synthesis at metallic Li/Ru interfaces under ambient conditions NH3 synthesis from N2 and H2 under mild conditions is a great challenge due to the extreme chemical inertness of N2. Here, by depositing Li atoms on a Ru surface to build highly active Li/Ru interfaces as catalytic sites, an efficient thermocatalytic conversion of N2 and H2 to NH3 is achieved under room temperature and ambient pressure. The metallic Li/Ru interface exhibits a significant synergetic effect, which facilitates both N2 dissociation and hydrogenation to NH3.

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Triplet-triplet annihilation upconversion in covalent organic frameworks via interface and bulk exciton tunability The bulky substituents on the cyanine sensitizer not only enhance its triplet-state properties but also act as anchoring units, facilitating binding to the surface of an energy-level-matched, annihilator-incorporated COF. This strengthened interfacial connection promotes triplet exciton transfer, followed by long-range diffusion and triplet-triplet annihilation within the COF, ultimately resulting in bright yellow upconversion emission.

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A dynamic charge-dependent nanofungicide platform for sustainable agrochemical deposition and delivery This work presents a “dynamic” surface-charge nanofungicide platform that leverages environmental temperature as the trigger to overcoming the trade-off between strong surface binding and restricted uptake. Oppositely charged and thermo-responsive polymer nanocarriers engineered via flash nanoprecipitation enable controlled in situ transition from initially high surface positivity that facilitates deposition to a moderate positive charge, which further improves uptake of broad-spectrum fungicides. This simultaneous enhancement of deposition and uptake efficiency provide maximizing utilization efficacy, reducing dosages for sustainable agrochemical application.

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Unlocking the potential of diarylmethane dyes for living systems Many historically known dye scaffolds remain underexplored due to intrinsic chemical limitations. Through rational structural modification of diarylmethane dyes, this study uncovers their hidden bioanalytical potential and yields TiCa, a miniature far-red fluorogen. TiCa selectively recognizes RNA-DNA hybrids, enables live-cell imaging of mitochondrial R-loops, and its co-crystal structure with a natural RNA-DNA hybrid elucidates the molecular basis of this recognition, highlighting how revisiting long-overlooked dye frameworks can advance future probe development.

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Targeted spin regulation in multi-spin systems via σ-bond rotation Bond-rotation-assisted coordination-induced spin-state switching (BR-CISSS) in 3d-4f metallacrown molecules is achieved via a non-invasive single-crystal-to-single-crystal technique. This approach offers exceptional reversibility, bidirectional control, clear structure-property relationships, and substantial coercive field regulation (0.49–1.74 T). These findings highlight the viability of BR-CISSS in single-spin precise regulation in multi-spin systems and enable the design of next-generation smart molecular magnetic materials.

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Reducing polysulfide hydrodynamic radius toward low-temperature lithium–sulfur batteries Rotating disk electrode analysis is conducted to quantify the lithium polysulfide reaction kinetics and reveals that the hydrodynamic radius of lithium polysulfides decreases as the electrolyte solvating power reduces, corresponding to inhibited lithium polysulfide aggregation. Unexpected low-temperature performance advantages are achieved in working lithium-sulfur batteries using weakly solvating electrolytes.

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Removing passivation irregularities for seamless electroplating across lithium, zinc, and magnesium metal batteries Passivation irregularities and nascent solid-electrolyte interphase layers on metal anodes govern nucleation and growth in lithium, zinc, and magnesium batteries. By eliminating native oxides and constructing uniform infant layers, we realize seamless, compact electrodeposition, establishing passivation regularity as a universal design principle for durable metal anodes.

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