"Ultrahigh Te-Content Low-Pressure All-Solid-State Li–Te Batteries" made it onto the front cover of last week's #JACS! Explore the science behind the artwork: buff.ly/RepkQ6N

C. beijerinckii's [FeFe]-hydrogenase keeps on giving. In their latest, Morra & team probe the role of the F-domain in O2 stability of CbA5H (via @jacs.acspublications.org). doi.org/10.1021/jacs...

Probing the Role of Accessory Domains in Oxygen Stability of [FeFe]-Hydrogenases

[FeFe]-hydrogenases are the fastest enzymes for hydrogen evolution, yet their irreversible inhibition by oxygen has thwarted their industrial use. CbA5H is an exception as its inhibition by oxygen is reversible. Protein scaffold rearrangement near the active site, allowing a ligand to coordinate the metal center in addition to the formation of a highly oxidized state of the metal center named Hinact, is the current hypothesis for CbA5H oxygen stability. However, the ligand identity has been disputed and there is no evidence to suggest that protein scaffold rearrangement is the sole reason for oxygen stability. Here, we investigate CbA5H oxygen stability by providing a high-resolution (1.96 Å) X-ray structure that shows that the protective ligand is a conserved cysteine thiol group, which directly coordinates the metal center. The local rearrangement also encompasses structural water molecules and the side chain of E341, associated with proton transfer. In addition, we illustrate that C236 and H245, located close to accessory iron sulfur clusters in the Fd domain, influence oxygen stability. We show that mutating these residues significantly decreases oxygen stability but not the ability to form Hinact. Variant C236A displays a slower inactivation rate, which we suggest is due to tuning the redox properties of one of the accessory iron sulfur clusters. We also show that the soluble ligand-binding β-grasp domain (SLBB) may not be required for oxygen stability by comparing CbA5H to a novel homolog lacking this domain. Collectively, these findings expand our understanding of oxygen stability in [FeFe]-hydrogenases.

doi.org

Even molecules enjoy a bubble bath 🫧 This new mechanophore can be activated in a common ultrasound bath, and doubles as a highly efficient force-controlled release platform! Great work by @tomasnicolas.bsky.social and Rob Nixon now in @jacs.acspublications.org pubs.acs.org/doi/10.1021/...

Weak Bond, Strong Response: Complete Activation and Efficient Cargo Release with a Furan/Acrylamide Mechanophore

Mechanophores are force-sensitive molecules that can be activated upon elongation with the help of actuating polymers. Mechanophores have been designed for various applications including force-sensing...

pubs.acs.org

We haven't been keeping up lately... let's try to fix that! Our recent @jacs.acspublications.org publication introduces AMPv3-BMS25, the newest version of our neural-network potential for condensed-phase molecular simulations. #chemsky pubs.acs.org/doi/full/10....

Multiscale Neural Network Potential with Anisotropic Message Passing for the Fast and Accurate Simulation of Protein Dynamics and Enzymatic Reactions

We present the next generation of AMP, a neural network potential (NNP) with anisotropic message passing designed to study large biomolecular systems at DFT accuracy in the condensed phase using a mul...

pubs.acs.org

The ACS150 JACS Symposium Series comes to Brazil to celebrate 150 years of ACS and chemical discovery with a day of keynotes lectures and panels sessions in environmental & sustainable, analytical and agricultural chemistry research. 📍 ABCChem 2026 📅 8 December Apply to attend: buff.ly/EYgOAZO

"Theory-Guided Synthesis of Stable Low-Nuclearity Cluster Catalysts via Atom-Stabilizer Locking" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/aQmzGTU

"Lemniscular BODIPY Array of Expanded Porphyrinoids: A π-Conjugated Macrocycle Exhibiting Bright Near-Infrared Circularly Polarized Luminescence" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/Gc5dePn

"Periodic Molecular-Level Asymmetric Channels for Synergistical Purification of Iodide Wastewater and Osmotic Power Generation" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/W3GZJll

"Biomimetic Catalytic Atroposelective Ring-Opening Aminolysis of N-Sulfonylated Biaryl Lactams" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/480XcT3

"π–π Interaction Promoting Kinetic Resolution Copolymerization of rac-Epoxides and Isocyanates" has made it onto the front cover of this week's #JACS! Explore the science behind the artwork: buff.ly/2G3kN7w

FEATURED: "Synthesis of Unusually High Valent Perovskite Oxide from the Highly Oxidized Coprecipitation Precursor", showcased on the cover of the latest issue of #JACS. Explore the science behind the artwork: buff.ly/aWx7iwF

FEATURED: "Polymer-Modulated Solvation Chemistry via Compatibilizing-Solvent Plasticization for Stable High-Energy Lithium Metal Batteries", showcased on the cover of the latest issue of #JACS. Explore the science behind the artwork: buff.ly/SaGaKTf

FEATURED: "Chemical Engineering of Altermagnetism in Two-Dimensional Metal–Organic Frameworks", showcased on the cover of this week’s issue of #JACS. Explore the science behind the artwork: buff.ly/LAe9nKR

FEATURED: "Defect-Mediated Catalysis for Low-Temperature Formation of Graphene-Based Materials", showcased on the cover of this week’s issue of #JACS. Explore the science behind the artwork: buff.ly/wJWteI8

FEATURED: "Outer Membrane–Peptidoglycan Anchoring in Pseudomonas aeruginosa", showcased on the front cover of this week’s issue of #JACS. Explore the science behind the artwork: buff.ly/xDiNPgG

ACS150 #JACS Symposium Series: IACS: Prof. Sébastien Lecommandoux highlighted polypeptide nanomedicine & vesicle drug delivery, noting: “Mimicking biology, we can design new therapeutics to eliminate disease.” 🔗 View on demand videos of previous events: buff.ly/FaTqNiX

"Asymmetric Dearomative [4 + 2] Photocycloadditions of Quinolines with Alkenes Enabled by Organocatalytic Activation" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/m2fYsoU

"Kosmotrope-Promoted Proton Hopping in Supramolecular Conductors" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/zwKTt2d

"Time-Evolving Reversible Circularly Polarized Luminescence Enabled by Light-Fueled Dissipative Self-Assembly of Covalent Organic Frameworks" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/jcsN0bM

"Oligophenylene Tuning from Monomer to Trimer Enables Ultrafast Excited-State Dynamics and Ultrahigh Emission Cross Sections" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/I2U81L6

"Achieving >99.9% Faradaic Efficiency for Complete Ethanol Electrooxidation over a Co–PdZn Heterointerface" has made it onto the front cover of this week's #JACS! Explore the science behind the artwork: buff.ly/DFwDZKt

"Compositionally Complex Doping Enables High-Voltage Spinel Cathodes with Ultrafast Charging and Chemo-Electro-Mechanical Stability" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/oiF2HWa

"Chirality Transfer, Memory and Sensing Activated by a Supramolecular Chiral Auxiliary Approach in Nanostructured, Tautomerically Prochiral Triptycene-Fused Benzimidazoles" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/8VzeO89

"Formation of Quasi-2D [Mon+1Cn] Layered Structures via Carburizing Metal Films toward Surface Functional Group-Free Molybdenum Carbide MXene Thin Films" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/81hdI6X

Celebrating 150 years of @acs.org, the ACS150 JACS Symposium Series: ACS Fall 2026 is coming home! Uniting leading chemists, Nobel Laureates, researchers & journal editors. 📍Chicago, USA 📅 25 August Registration for ACS Fall is required. Learn more: buff.ly/6HM87ks

"Tailoring Local–Global Structures via Hot Deformation for High-Performance BiSbSe3 Thermoelectrics" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/2WsGXrs

"Engineering Structural Transitions in a Multilevel Molecular Switch via Intermolecular Coupling" has made it onto the front cover of this week's #JACS! Explore the science behind the artwork: buff.ly/MuA7LoH

"Non-Equilibrium Growth Processes to Glyceraldehyde and Glycerol as Building Blocks of Interstellar Sugars and Phospholipids" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/aMhXjhS

"Molecular Mechanism of the Oxidative Cleavage of Alkenes by Photoexcited Nitroarenes" has made it onto the cover of the latest issue of #JACS! Explore the science behind the artwork: buff.ly/ODZQYip

"Molecular Mechanism of the Oxidative Cleavage of Alkenes by Photoexcited Nitroarenes" has made it onto the cover of this week's #JACS! Explore the science behind the artwork: buff.ly/ODZQYip