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Coamorphous drug formulations are a promising approach to improve solubility and bioavailability of poorly water-soluble drugs. On the basis of theoretical assumptions involving molecular interactions, the 11 molar ratio of drug and coformer is frequently used as "the optimal ratio" for a homogeneous coamorphous system (i.e., the coamorphous system with the highest physical stability and, if strong interaction is possible between two molecules, the highest glass transition temperature (Tg)). In order to more closely investigate this assumption, l-aspartic acid (ASP) and l-glutamic acid (GLU) were investigated as coformers for the basic drug carvedilol (CAR) at varying molar ratios. Salt formation between CAR with ASP or GLU was expected to occur at the molar 11 ratio based on their chemical structures. Interestingly, the largest deviation between the experimental Tg and the theoretical Tg based on the Gordon-Taylor equation was observed at a molar ratio of around 11.5 in CAR-ASP and CAR-GLU systems. In order to determine the exact value of the ratio with the highest Tg, a data fitting approach was established on thermometric data of various CAR-ASP and CAR-GLU systems. The highest Tg was found to be at CAR-ASP 11.46 and CAR-GLU 11.43 mathematically. Spectroscopic investigations and physical stability measurements further confirmed that the optimal molar ratio for obtaining a homogeneous system and the highest stability can be found at a molar ratio around 11.5. https://www.selleckchem.com/products/jsh-23.html Overall, this study developed a novel approach to determine the optimal ratio between drug and coformers and revealed the influence of varying molar ratios on molecular interactions and physical stability in coamorphous systems.Asymmetric annulation of bench-stable α,β-unsaturated aryl esters with enamines was realized via cooperative catalysis of chiral isothiourea and Brønsted acid. This reaction proceeds via a chiral α,β-unsaturated acyl ammonium intermediate and offers a rapid access to functionalized 3,4-dihydropyridin-2-ones in high yields and excellent enantioselectivities.Redox reaction, involving the gain and loss of electrons between reactants, is one type of common chemical reaction governing fundamental energy issues in nature. However, reports of vividly visualizing such key processes with simultaneous structural determination of new phases that are involved are rare. Here, by achieving simultaneous recording in both real and reciprocal space, we demonstrate in situ imaging of the redox reaction dynamics in perovskite nanocrystals. The thorough atomic-scale movies enable an in-depth understanding of the reaction-induced nucleation and growth mechanism of clusters with the aid of carbon, and a simple way of using SiN films at room temperature to fully prevent the irradiation-induced degradation in perovskites is proposed, in contrast to the costly low-temperature strategy. Real-time atomic-scale imaging in both real and reciprocal space paves the way for revealing various chemical and physical events at targeted nanoscale positions with complementary structural information.Several kinds of coherence have recently been shown to affect the performance of light-harvesting systems, in some cases significantly improving their efficiency. Here, we classify the possible mechanisms of coherent efficiency enhancements, based on the types of coherence that can characterize a light-harvesting system and the types of processes these coherences can affect. We show that enhancements are possible only when coherences and dissipative effects are best described in different bases of states. Our classification allows us to predict a previously unreported coherent enhancement mechanism, where coherence between delocalized eigenstates can be used to localize excitons away from dissipation, thus reducing the rate of recombination and increasing efficiency.Two-dimensional (2D) organic-inorganic hybrid perovskites are promising materials for next-generation optoelectronic devices owning to their structural and functional versatility and enhanced ambient stability. Recent studies have started to focus on engineering the molecular properties of the organic cations to induce inorganic-to-organic energy/charge transfer for new functionalities, yet many puzzles regarding the inorganic-organic interaction mechanisms remain to be resolved. Here we fabricate 2D lead halide perovskites containing naphthalene methylamine (NMA) cations to study naphthalene triplet sensitization by inorganic excitons. We find that triplet sensitization proceeds via a two-step mechanism initiated by subpicosecond hole transfer from the inorganic layer to naphthalene. We also provide spectroscopic evidence for triplet excimer formation, i.e., the association between triplet and ground state molecules. The intensity ratio between the excimer and triplet emissions can be tuned via the percentage of the NMA cations in the organic layer, offering a route to tunable white-light emitters using 2D hybrid perovskites.Experimental IR spectra in the 500-1850 cm-1 fingerprint frequency range are presented for the isolated, gaseous redox pair ions [Ru(bpy)3]2+, and [Ru(bpy)3]+, where bpy = 2,2'-bipyridine. Spectra are obtained using the FELIX free-electron laser and a quadrupole ion trap mass spectrometer. The 2+ complex is generated by electrospray ionization and the charge-reduced radical cation is produced by gas-phase one-electron reduction in an ion-ion reaction with the fluoranthene radical anion. Experimental spectra are compared against computed spectra predicted by density functional theory (DFT) using different levels of theory. For the closed-shell [Ru(bpy)3]2+ ion, the match between experimental and computed IR spectra is very good; however, this is not the case for the charge-reduced [Ru(bpy)3]+ ion, which demands additional theoretical investigation. When using the hybrid B3LYP functional, we observe that better agreement with experiment is obtained upon reduction of the Hartree-Fock exact-exchange contribution from 20% to about 14%. Additionally, calculations using the M06 functional appear to be promising in terms of the prediction of IR spectra; however, it is unclear if the correct electronic structure is obtained. The M06 and B3LYP functionals indicate that the added electron in [Ru(bpy)3]+ is delocalized over the three bpy ligands, while the long-range corrected LC-BLYP and the CAM-B3LYP functionals show it to be more localized on a single bpy ligand. Although these latter levels of theory fail to reproduce the experimentally observed IR frequencies, one may argue that the unusually large bandwidths observed in the spectrum are due to the fluxional character of a complex with the added electron not symmetrically distributed over the ligands. The experimental IR spectra presented here can serve as benchmark for further theoretical investigations.
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