Enhancement of catalytic activity of titanosilicalite-1 - sulfated zirconia combination towards epoxidation of 1-octene with aqueous hydrogen peroxide

Summary Titanosilicalite-1 (TS-1) in combination with sulfated zirconia efficiently catalyzes the epoxidation of 1-octene with aqueous hydrogen peroxide. The presence of both octahedral zirconium and sulfate species in the catalysts enhances the epoxidation rates.     

Modeling the growth and branching of plants: A simple rod-based model

A rod-based model for plant growth and branching is developed in this paper. Specifically, Euler's theory of the elastica is modified to accommodate growth and remodeling. In addition, branching is characterized using a configuration force and evolution equations are postulated for the flexural stiffness and intrinsic curvature. The theory is illustrated with examples of multiple static equilibria of a branched plant and the remodeling and tip growth of a plant stem under gravitational loading.     

Molecular Characterization of Bacterial Isolates from Soil Samples and Evaluation of their Antibacterial Potential against MDRS

Some soil microbes, with their diverse inhabitance, biologically active metabolites, and endospore formation, gave them characteristic predominance and recognition among other microbial communities. The present study collected ten soil samples from green land, agricultural and marshy soil sites of Khyber Pakhtunkhwa, Pakistan. After culturing on described media, the bacterial isolates were identified through phenotypic, biochemical and phylogenetic analysis. Our phylogenetic analysis revealed three bacterial isolates, A6S7, A1S6, and A1S10, showing 99% nucleotides sequence similarity with Brevibacillus formosus, Bacillus Subtilis and Paenibacillus dendritiformis. The crude extract was prepared from bacterial isolates to assess the anti-bacterial potential against various targeted multidrug-resistant strains (MDRS), including Acinetobacter baumannii (ATCC 19606), Methicillin-resistant Staphylococcus aureus (MRSA) (BAA-1683), Klebsiella pneumoniae (ATCC 13883), Pseudomonas aeruginosa (BAA-2108), Staphylococcus aureus (ATCC 292013), Escherichia coli (ATCC25922) and Salmonella typhi (ATCC 14028). Our analysis revealed that all bacterial extracts possess activity against Gram-negative and Gram-positive bacteria at a concentration of 5 mg/mL, efficiently restricting the growth of E. coli compared with positive control ciprofloxacin. The study concluded that the identified species have the potential to produce antimicrobial compounds which can be used to control different microbial infections, especially MDRS. Moreover, the analysis of the bacterial extracts through GC-MS indicated the presence of different antimicrobial compounds such as propanoic acid, oxalic acid, phenol and hexadecanoic acid.     

Recovery of Polyphenols Using Pressurized Hot Water Extraction (PHWE) from Black Rosehip Followed by Encapsulation for Increased Bioaccessibility and Antioxidant Activity

In this work, pressurized hot water extraction (PHWE) of hydrophilic polyphenols from black rosehip fruit was maximized using response surface methodology for simultaneous optimization in terms of extraction yield, total antioxidant capacity, total (poly)phenols, catechin, total monomeric anthocyanins, and cyanidin-3-O-glucoside. Extraction parameters, including temperature (X1: 40–80 °C) and the solvent-to-solid ratio (X2: 10–40 mL/g), were investigated as independent variables. Experimentally obtained values were fitted to a second-order polynomial model, and optimal conditions were determined using multiple regression analysis and analysis of variance. The black rosehip extract (BRE) obtained at optimized PHWE conditions was further encapsulated in biopolymer-coated liposomes and spray dried to enhance its processing and digestive stability. After reconstitution, the fabricated particles had an average size of 247–380 nm and a zeta-potential of 15–45 mV. Moreover, encapsulation provided remarkable protection of the phenolics under in vitro gastrointestinal digestion conditions, resulting in up to a 5.6-fold more phenolics in the bioaccessible fraction, which also had 2.9–8.6-fold higher antioxidant activity compared to the nonencapsulated BRE. In conclusion, PHWE in combination with a biopolymer coating is a potent method for the production of stable and safe edible natural extracts for the delivery of (poly)phenolic compounds in food and dietary supplements.     

Synthesis of Bio-Inspired 1,3-Diarylpropene Derivatives via Heck Cross-Coupling and Cytotoxic Evaluation on Breast Cancer Cells

The Heck cross-coupling reaction is a well-established chemical tool for the synthesis of unsaturated compounds by formation of a new C-C bond. In this study, 1,3-diarylpropene derivatives, designed as structural analogues of stilbenoids and dihydrostilbenoids, were synthesised by the palladium-catalysed reactions of 2-amidoiodobenzene derivatives with either estragole or eugenol. The products were obtained with high (E) stereoselectivity but as two regioisomers. The ratios of isomers were found to be dependent on the nature of the allylbenzene partner and were rationalised by electronic effects exercising a determining influence in the β-hydride elimination step. In addition, the cytotoxic effects of all the Heck reaction products were evaluated against MCF-7 and MDA-MB-231 human breast cancer cells, with unpromising results. Among all, compound 7d exhibited weak cytotoxic activity towards MCF-7 cell lines with IC₅₀ values of 47.92 µM in comparison with tamoxifen and was considered to have general toxicity (SI value < 2).     

Modeling and analysis of system reliability using phase‐type distribution closure properties

Phase‐type distribution closure properties are utilized to devise algorithms for generating reliability functions of systems with basic structures. These structures include series, parallel, K‐out‐of‐N, and standby structures with perfect/imperfect switch. The algorithms form a method for system reliability modeling and analysis based on the relationship between the system lifetime and component lifetimes for general structures. The proposed method is suitable for functional system reliability analysis, which can produce reliability functions of systems with independent components instead of only system reliability values. Once the system reliability function is obtained, other reliability measures such as the system's hazard function and mean time to failure can be obtained efficiently using only matrix algebra. Dimensional and numerical comparisons with computerized symbolic processing are also presented to show the superiority of the proposed method.     

Anion Directed Self‐Assembly of One‐Dimensional and Two‐Dimensional Coordination Polymers Containing Bridging Diphosphine Ligands

The reactions of 1,2‐bis(diphenylphosphanyl)ethane (dppe) with different silver(I) salts facilitated the formation of 1D and 2D coordination polymers, [Ag(dppe)(OAc)]_n · nH₂O ( 1 ) and [Ag₂(dppe)_1.5(NO₃)₂]_n ( 2 ), respectively. The complexes were characterized by elemental analysis, ATR‐IR spectroscopy, ¹H NMR, ¹³C NMR, and ³¹P NMR spectroscopy, and single‐crystal X‐ray diffraction. Structural analysis revealed that complex 1 exhibits a 1D infinite wavy structure, in which each silver(I) ion is bridged by dppe ligands. Structure 2 has a 2D topologically promising architecture that displays a 6.6.6 graphitic net, which corresponds to hnd topology. The nitrate ions and dppe ligands are in a μ₂ bridging mode and support the formation of this net. Moreover, significant π–π interactions between the phenyl rings in the apertures of (6,3) grid stabilized complex 2 .     

A new heuristic for learning Bayesian networks from limited datasets: a real-time recommendation system application with RFID systems in grocery stores

Bayesian networks (BNs) are a useful tool for applications where dynamic decision-making is involved. However, it is not easy to learn the structure and conditional probability tables of BNs from small datasets. There are many algorithms and heuristics for learning BNs from sparse datasets, but most of these are not concerned with the quality of the learned network in the context of a specific application. In this research, we develop a new heuristic on how to build BNs from sparse datasets in the context of its performance in a real-time recommendation system. This new heuristic is demonstrated using a market basket dataset and a real-time recommendation model where all items in the grocery store are RFID tagged and the carts are equipped with an RFID scanner. With this recommendation model, retailers are able to do real-time recommendations to customers based on the products placed in cart during a shopping event.