Kinetic effects of molecular clustering and solvation by extended networks in zeolite acid catalysis

JS Bates, R Gounder - Chemical Science, 2021 - pubs.rsc.org
Reactions catalyzed within porous inorganic and organic materials and at electrochemical
interfaces commonly occur at high coverage and in condensed media, causing turnover …

Spectroscopic fingerprints of cavity formation and solute insertion as a measure of hydration entropic loss and enthalpic gain

S Pezzotti, F Sebastiani, EP van Dam… - Angewandte Chemie …, 2022 - Wiley Online Library
Hydration free energies are dictated by a subtle balance of hydrophobic and hydrophilic
interactions. We present here a spectroscopic approach, which gives direct access to the …

Tunable Electrochemical Entropy through Solvent Ordering by a Supramolecular Host

KT Xia, A Rajan, Y Surendranath… - Journal of the …, 2023 - ACS Publications
An aqueous electrochemically controlled host–guest encapsulation system demonstrates a
large and synthetically tunable redox entropy change. Electrochemical entropy is the basis …

Molecular fingerprints of hydrophobicity at aqueous interfaces from theory and vibrational spectroscopies

S Pezzotti, A Serva, F Sebastiani… - The Journal of …, 2021 - ACS Publications
Hydrophobicity/hydrophilicity of aqueous interfaces at the molecular level results from a
subtle balance in the water–water and water–surface interactions. This is characterized here …

Source of rate acceleration for carbocation cyclization in biomimetic supramolecular cages

QNN Nguyen, KT Xia, Y Zhang, N Chen… - Journal of the …, 2022 - ACS Publications
The results of quantum chemical and molecular dynamics calculations reveal that
polyanionic gallium-based cages accelerate cyclization reactions of pentadienyl alcohols as …

Selective separation of planar and non-planar hydrocarbons using an aqueous Pd 6 interlocked cage

D Chakraborty, R Saha, JK Clegg, PS Mukherjee - Chemical Science, 2022 - pubs.rsc.org
Polycyclic aromatic hydrocarbons (PAHs) find multiple applications ranging from fabric dyes
to optoelectronic materials. Hydrogenation of PAHs is often employed for their purification or …

Characterizing the orderliness of interfacial water through stretching vibrations

Z Zhu, X Zhou, Y Li, S Gu, L Sun… - The Journal of Physical …, 2024 - ACS Publications
Spatial orderliness, which is the orderly structure of molecules, differs significantly between
interfacial water and bulk water. Understanding this property is essential for various …

Tuning Acid–Base Chemistry at an Electrified Gold/Water Interface

S Murke, W Chen, S Pezzotti… - Journal of the American …, 2024 - ACS Publications
Acid–base reactions are ubiquitous in solution chemistry, as well as in electrochemistry.
However, macroscopic concepts derived in solutions, such as p K a and pH, differ …

Designed CYP450 Scaffold That Possesses a Local Electric Field Biodegrades Polyethylene Terephthalate

SA Siddiqui, S Shaik, KD Dubey - ACS Catalysis, 2024 - ACS Publications
In enzymes, protein residues themselves carry charges and produce a preorganized local
electric field (LEF). Such LEFs can be modified by strategically mutating the charged and …

Metallocage Photoredox Confined Synergistic Catalysis on 1, 3-Rearrangement Reaction

S Wang, N Li, B Zhu, W Guan - ACS Catalysis, 2024 - ACS Publications
The realm of catalytic chemistry has witnessed notable advancements through the
integration of photoredox confined synergistic catalysis, a method that synergizes the …