A new 🌟 Collection 🌟 from The Journal of Physical Chemistry A: Spectroscopy, Structure and Reactivity of Stabilized Criegee Intermediates 📚

Check it out: go.acs.org/9lg

.Quinten Akkerman et al. synthesized size-tunable manganese doped CsPbCl3 quantum dots with strongly confined sizes down to 4 nm, exhibiting sharp excitonic absorption resonances and the archetypal broad orange Mn2+ emission.
go.acs.org/9l9

In this paper, DFT calculations were carried out to gain mechanistic insight into the synthesis of β-perfluoroalkyl esters from a specific Pd-catalyzed perfluoroalkylative carbonylation of unactivated alkenes via carbon monoxide.
go.acs.org/9kY

📢 Call for Papers 📢This Virtual Special Issue will cover and explore fundamental, theoretical, and applicative aspects of non-fluorescence-based single-particle methods. Submit your manuscript by July 31, 2024. 🔗 go.acs.org/9kJ

This new Collection highlights our favorite special articles written by invited authors and published in The Journal of Physical Chemistry C in 2023. Browse the collection 🔗 go.acs.org/9kD

The debut paper from IIT Roorkee's Computational Laboratory for Energy Application (CLEAN) group offers crucial insights into optimizing intercalation chemistry for reversible and low-voltage storage in Mg-ion battery anodes, now featured in JPCC.
go.acs.org/9kA

pH-sensitive peptides bind to lipid membranes according to pH. Acidic lipids enhance peptide surface concentration changes. The adsorption mechanism is barrier-free at low pH but faces large energy barriers at high pH. CONICET Dialoga ICB Mendoza
go.acs.org/9ko

The gold-silver core-shell nanostructure, with a central Au multipod surrounded by a Ag hollow cage shell, exhibits pronounced near-infrared absorption and an impressive photothermal conversion efficiency of 68.5% under 808 nm laser irradiation.
go.acs.org/9k9

Researchers Xue-Bin Wang & collaborators experimentally determined the electronic band structure of closo-Decahydroborate [B10H10]2- ‒ an electronically unstable dianion in the gas phase by encapsulating it with an octamethylcalix[4]pyrrole host molecule.
go.acs.org/9k0

This work presents that protic ionic liquids can enhance the structural and chemical stability of genomic DNA! A comprehensive view of the system is presented via biophysical experiments, MD simulations and QM calculations. Congrats Rajani K
go.acs.org/9jS

📢 New Call for Papers 📢 This Virtual Special Issue will highlight theoretical and experimental advances in laser processing, focusing on the physical chemistry underlying laser-material/nanoparticle interactions. Submit by November 30
🔗 go.acs.org/9jJ

Whether ATP binds to kinesin in its one-head-bound or two-heads-bound state is analyzed, explaining consistently and quantitatively published contradictory experimental results, which is critical to the kinesin chemomechanical coupling mechanism.
go.acs.org/9jw

How to target CXCR4 critical for #HIV -1 and #cancer ? Inan et al. use network modeling & Site Identification by Ligand Competitive Saturation to find putative allosteric binding sites and modulators confirmed by in vitro assays. Alex MacKerell Kurkcuoglu Levitas Lab.
go.acs.org/9jj

A procedure for fitting vibrational sum frequency spectra makes use of the relative orientation of functional groups in molecules. Structurally-consistent peak amplitudes are then obtained, facilitating subsequent analyses. Dennis Hore
go.acs.org/9jf

A study at IIT Roorkee unveils how HSA stabilizes lipid chains, creating potential drug delivery pathways & lipid fusion phenomena. Exciting insights into membrane dynamics with implications for drug delivery systems Ravindra Pandey SERB DSTIndia
go.acs.org/9j8

H2 adsorption on Con± (n = 5−12) clusters and subsequent desorption by heating were studied. The low adsorption energies were ascribed to their large HOMO-LUMO gaps in the Co clusters. @Utokyo_News_en
go.acs.org/9j2

Methyl mercaptan is as efficient as methanol in methylating benzene over an acidic zeolite model catalyst. However, benzene methylation by mercaptan occurs exclusively via a step-wise mechanism.
go.acs.org/9iS

Stress concentration in polymer network materials frequently occurs near the joint segments between main body and dangling chains.
go.acs.org/9iM

Dive deep into the complexities of iron catalysis featuring non-innocent pyridine diimine ligands! This work unveils insights into the challenges and alternative solutions in this fascinating realm. Nikunj Kumar Computational Catalysis Center (@Puneet Gupta) IIT Roorkee
go.acs.org/9iw

The dielectric tensor is found to be dependent on the wave vector direction besides the polarization direction in anisotropic phonon polariton materials.
go.acs.org/9iq