The Study of Zeolite ZSM-5 by Auger Electron Spectroscopy

The dependence of the surface Si/Al ratio in function of the volume Si/Al ratio was studied, for zeolite of type: A, X, clinoptilolite, mordenite and three samples of ZSM-5. Surface measurements were made by Auger electron spectroscopy (AES), and volume (bulk) measurements by atomic absorption spectrophotometry. It was found that the surface Si/Al ratio is identical with the volume Si/Al ratio. The dependence of the surface Si/Al ratio on the crystallization degree for zeolite ZSM-5 was also studied. We obtained some informations about the kinetics and mechanism of the crystallization process.     

Coencapsulation of Butyl‐Methoxydibenzoylmethane and Octocrylene into Lipid Nanocarriers: UV Performance,Photostability and in vitro Release

The coencapsulation of two UV filters, butyl‐methoxydibenzoylmethane (BMDBM) and octocrylene (OCT), into lipid nanocarriers was explored to develop stable cosmetic formulations with broad‐spectrum photoprotection and slow release properties. Different types of nanocarriers in various concentrations of the two UV filters were tested to find the combination with the best absorption and release properties. Solid lipid nanoparticles (SLNs) and nanostructured lipid carriers (NLCs) have been the two types of lipid nanocarriers used. The NLCs were based on either medium chain triglycerides (MCT) or squalene (Sq). The following physicochemical properties of the nanocarriers have been evaluated: particle size, morphology, zeta potential (ZP), entrapment efficiency, loading capacity, and thermal behavior. The nanocarriers have been formulated into creams containing low amounts of UV filters (2.5% BMDBM and 1% OCT). The best photoprotection results were obtained with the cream based on NLCs prepared with MCT, having a sun protection factor (SPF) of 17.2 and an erythemal UVA protection factor (EUVA–PF) of 50.8. The photostability of the encapsulated BMDBM filter was confirmed by subjecting the nanocarriers‐based creams to in vitro irradiation. The prolonged UV‐protection efficacy was coupled with a slow in vitro release of the synthetic UV filters, which followed the Higuchi release model.     

Rapid Capillary‐Assisted Solution Printing of Perovskite Nanowire Arrays Enables Scalable Production of Photodetectors

Despite recent progress in producing perovskite nanowires (NWs) for optoelectronics, it remains challenging to solution‐print an array of NWs with precisely controlled position and orientation. Herein, we report a robust capillary‐assisted solution printing (CASP) strategy to rapidly access aligned and highly crystalline perovskite NW arrays. The key to the CASP approach lies in the integration of capillary‐directed assembly through periodic nanochannels and solution printing through the programmably moving substrate to rapidly guide the deposition of perovskite NWs. The growth kinetics of perovskite NWs was closely examined by in situ optical microscopy. Intriguingly, the as‐printed perovskite NWs array exhibit excellent optical and optoelectronic properties and can be conveniently implemented for the scalable fabrication of photodetectors.     

Synthesis and Characterization of a Novel Phosphonate Metal Organic Framework Starting from Copper Salts

Abstract

Increased interest in the area of metal phosphonate inorganic–organic frameworks is exemplified with a high range of applications and a rich synthetic and structural chemistry of these compounds. The synthesis and potential applications of a novel metal phosphonate, namely Cu(II) phenylvinylphosphonate (PVP) is described in this paper. Syntheses were performed starting from a 1:1 molar ratio of a Cu(NO₃)₂·6H₂O or CuSO₄·5H₂O and 1-phenylvinylphosphonic acid under hydrothermal conditions at pH values ranging between 2.8 and 3.1. The influence of different counterion for the copper salt used as the Cu(II) source on the structure and crystallinity of the final product was studied. The obtained copper(II) phenylvinylphosphonate compounds were characterized by X-ray powder diffraction, FT-IR spectroscopy, scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and energy-dispersive X-ray spectrometry (EDAX). A possible crystal structure for the copper (II) phenylvinylphosphonate products is proposed using semiempirical approaches.     

Identifying porous cage subsets in the Cambridge Structural Database using topological data analysis

As rationally designable materials, the variety and number of synthesised metal–organic cages (MOCs) and organic cages (OCs) are expected to grow in the Cambridge Structural Database (CSD). In this regard, two of the most important questions are, which structures are already present in the CSD and how can they be identified? Here, we present a cage mining methodology based on topological data analysis and a combination of supervised and unsupervised learning that led to the derivation of – to the best of our knowledge – the first and only MOC dataset of 1839 structures and the largest experimental OC dataset of 7736 cages, as of March 2022. We illustrate the use of such datasets with a high-throughput screening of MOCs and OCs for xenon/krypton separation, important gases in multiple industries, including healthcare.

We mined the Cambridge Structural Database for porous cages using topological data analysis, which resulted in the first and only dataset of metal-organic cages and the largest dataset of organic cages.     

Diels-Alder reactions of 4-alkenylthiazoles: a new approach to thiazole functionalization

Somewhat unexpectedly, the computed highest occupied molecular orbital (HOMO) energies of some 4-alkenylthiazoles afforded values close to those calculated for the Danishefsky-Kitahara and Rawal dienes. In fact, 4-alkenylthiazoles behave as all-carbon dienes in Diels-Alder reactions with the participation of the formal C-C double bond of the thiazole ring and the side-chain double bond. The reactions with N-substituted maleimides, maleic anhydride, and naphthoquinone take place with high levels of stereocontrol to give the corresponding endo-cycloadducts in good to excellent yields. Depending on the dienophile, the cycloadduct further transforms under the reaction conditions through either a 1,3-hydrogen shift, dehydrogenation, or an ene reaction or Michael addition with another molecule of dienophile. These unprecedented results open new synthetic perspectives for the functionalization of the thiazole ring.     

Saturation transfer and chemical exchange measurements of the stereochemical drift occurring during the Wittig reaction

The Wittig reaction of butylidenetriphenylphosphorane with benzaldehyde using LiHMDS as base in THF was studied. The stereochemical drift (different ratio obtained in alkenes versus oxaphosphetane intermediates) was followed by low-temperature 1D NMR techniques. A retro-Wittig reaction is demonstrated using 13C and 31P saturation transfer experiments and homonuclear DPFGSE-ROE techniques.