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@molecularcages

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31.05.2025
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Latest posts by @molecularcages

Reducing Weighted Ensemble Variance With Optimal Trajectory Management https://arxiv.org/abs/2504.21663

10.02.2026 08:40 👍 0 🔁 0 💬 0 📌 0

Increasing Cage Escape Yields for Halide Oxidation in Aqueous Solutions Using Ir(III) Photosensitizers with π-Extended Aromatic Ligands http://dx.doi.org/10.1021/acs.inorgchem.5c05414

10.02.2026 08:40 👍 0 🔁 0 💬 0 📌 0

Self‐Assembled Molecular Capsule via Metastable Soft Interface for Stable Aqueous Batteries https://advanced.onlinelibrary.wiley.com/doi/10.1002/aenm.70668?af=R

10.02.2026 08:39 👍 0 🔁 0 💬 0 📌 0

Synergistic effects: From the coffee room to coordination cages https://www.cell.com/chem/fulltext/S2451-9294(26)00016-1?rss=yes

10.02.2026 08:38 👍 0 🔁 0 💬 0 📌 0

Confinement‐Induced [2 + 2] Photodimerization of Vinylenes Within a Flexible Metal–Organic Cage https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/ejoc.202500981?af=R

10.02.2026 08:36 👍 0 🔁 0 💬 0 📌 0

Single‐Atom‐Modulated Reactive Oxygen Species Generation and Network Crosslinking in Porphyrin‐Based Metallacages for Selective Photocatalysis https://onlinelibrary.wiley.com/doi/10.1002/anie.202525287?af=R

10.02.2026 08:36 👍 0 🔁 0 💬 0 📌 0

Networked Porous Organic Cage Membranes for Precision Separation of Pharmaceutical Ingredients https://onlinelibrary.wiley.com/doi/10.1002/anie.202520819?af=R

10.02.2026 08:36 👍 0 🔁 0 💬 0 📌 0

Inside Front Cover: NADH Mimic‐Decorated Coordination Capsules for Biomimetic Capture of NO and Electrocatalytic Reduction to NH3 (Angew. Chem. Int. Ed. 6/2026) https://onlinelibrary.wiley.com/doi/10.1002/anie.2026-m1001092800?af=R

10.02.2026 08:36 👍 0 🔁 0 💬 0 📌 0

NADH Mimic‐Decorated Coordination Capsules for Biomimetic Capture of NO and Electrocatalytic Reduction to NH3 https://onlinelibrary.wiley.com/doi/10.1002/anie.202519123?af=R

10.02.2026 08:36 👍 0 🔁 0 💬 0 📌 0

Efficient Removal of Short‐Chain Perfluoroalkyl Substances by Cavity‐Directed Aggregation in a Molecular Cage Host https://onlinelibrary.wiley.com/doi/10.1002/anie.202526027?af=R

10.02.2026 08:35 👍 0 🔁 0 💬 0 📌 0

Stiffness-Tunable Phenolic Nanocapsules Loaded with J-Aggregates for Near-Infrared II Imaging-Guided Phototherapy of Bacterial Infections http://dx.doi.org/10.1021/acsnano.5c19432

10.02.2026 08:35 👍 0 🔁 0 💬 0 📌 0

Making Metal–Organic Cages Respond to Light for Efficient Adsorptive Separation http://dx.doi.org/10.1021/acsnano.5c18042

10.02.2026 08:35 👍 0 🔁 0 💬 0 📌 0

Self-assembled chiral cages for anion recognition https://www.sciencedirect.com/science/article/pii/S1001841725007363

11.12.2025 11:48 👍 0 🔁 0 💬 0 📌 0

sp2 carbon conjugated covalent organic cage with efficient photocatalysis https://www.sciencedirect.com/science/article/pii/S1001841725003377

11.12.2025 11:48 👍 0 🔁 0 💬 0 📌 0

Cavity-Mediated Global Thermodynamic Control in Heteroleptic Coordination Cage Assembly via Endohedral Noncovalent Interactions http://dx.doi.org/10.1021/acs.inorgchem.5c04685

11.12.2025 11:47 👍 0 🔁 0 💬 0 📌 0

Spatial Confinement of Solution‐Inaccessible Single‐Site Cu(I) in a Molecular Titanium–Oxo Cage for Efficient Photo‐Electrocatalytic Urea Synthesis https://onlinelibrary.wiley.com/doi/10.1002/anie.202518472?af=R

11.12.2025 11:46 👍 0 🔁 0 💬 0 📌 0

Dynamic Surface Reconstruction in Machine-Learning-Predicted Cu3MoP Governs Selective CO Electroreduction to C2+ Products http://dx.doi.org/10.1021/acs.jpcc.5c05282

11.12.2025 11:46 👍 0 🔁 0 💬 0 📌 0

Smart Supramolecular Humidity Sensors Based on Crystalline Organic Cages for Noninvasive Freshness and Respiratory Monitoring https://advanced.onlinelibrary.wiley.com/doi/10.1002/adma.202518313?af=R

11.12.2025 11:46 👍 0 🔁 0 💬 0 📌 0

Hollow Metal–Organic-Framework-Derived Magnetic Carbon Nanocage-Based Phase Change Composites for Energy Storage, Photothermal Conversion, and Microwave Absorption http://dx.doi.org/10.1021/acs.energyfuels.5c03718

11.12.2025 11:45 👍 0 🔁 0 💬 0 📌 0

Conformationally Adaptive Molecular Cages Enabled by Metal Cluster-Mediated Assembly http://dx.doi.org/10.1021/jacs.5c17947

11.12.2025 11:45 👍 0 🔁 0 💬 0 📌 0

DeepMech: A Machine Learning Framework for Chemical Reaction Mechanism Prediction https://arxiv.org/abs/2509.15872

11.12.2025 11:45 👍 0 🔁 0 💬 0 📌 0

Peptide Ligand Isomerism Drives Divergent Stability and Guest Binding in Pd3L4 Metal-Peptidic Cages http://pubs.rsc.org/en/Content/ArticleLanding/2026/SC/D5SC06441D

11.12.2025 11:44 👍 0 🔁 0 💬 0 📌 0

Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages http://pubs.rsc.org/en/Content/ArticleLanding/2026/SC/D5SC05568G

11.12.2025 11:44 👍 0 🔁 0 💬 0 📌 0

Selective Encapsulation and Controlled Release of Chloride via a Buckybowl-Based Molecular Container https://www.chinesechemsoc.org/doi/abs/10.31635/ccschem.025.202506602?af=R

11.12.2025 11:43 👍 0 🔁 0 💬 0 📌 0

Probability model guides synthesis of interwoven catenane structure https://www.chemistryworld.com/news/probability-model-guides-synthesis-of-interwoven-catenane-structure/4022638.article

11.12.2025 11:43 👍 0 🔁 0 💬 0 📌 0

Mo2C‐Mo3N2 Heterojunction Encapsulated Within N‐Doped Carbon Cage for Enhanced Selective Hydrogenation of CO2 to CO https://onlinelibrary.wiley.com/doi/10.1002/smll.202508722?af=R

01.12.2025 13:05 👍 0 🔁 0 💬 0 📌 0

Practical integration of machine learning into ab initio calculations and workflows: Accelerating the SCF cycle via density matrix predictions https://dx.doi.org/10.26434/chemrxiv-2025-xn2mp-v2?rft_dat=source%3Ddrss

01.12.2025 13:05 👍 0 🔁 0 💬 0 📌 0

Multigram Synthesis of 2-Oxaadamantane and 5-Substituted Derivatives https://dx.doi.org/10.26434/chemrxiv-2025-xjs2z?rft_dat=source%3Ddrss

01.12.2025 13:04 👍 0 🔁 0 💬 0 📌 0

Mo2C–MoP heterostructure enables catalytic route for high-performance lithium sulfur battery http://pubs.rsc.org/en/Content/ArticleLanding/2025/CC/D5CC05937B

01.12.2025 13:04 👍 0 🔁 0 💬 0 📌 0

Stabilizing Electrode-Electrolyte Interphases by Soluble Metal-Organic Polyhedra for High-Performance Lithium-Metal Batteries http://pubs.rsc.org/en/Content/ArticleLanding/2025/TA/D5TA07061A

01.12.2025 13:04 👍 0 🔁 0 💬 0 📌 0