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The presence of E‐cadherin⋯E‐cadherin interactions in the intercellular space (paracellular pathway) poses a notable limitation in drug delivery across the blood‐brain barrier (BBB). ADTC5 peptide has shown promising results in improving drug delivery across the BBB by modulating E‐cadherin⋯E‐cadherin interactions. However, the study of E‐cadherin⋯ADTC5 amino acid interactions using quantum mechanics approach has not been observed clearly. Herein, we observed the interaction between E‐cadherin⋯ADTC5 amino acids using density functional theory (DFT). Natural bond orbital (NBO), quantum theory of atoms in molecules (QTAIM), and reduced density gradient (RDG) analysis are performed to study the non‐covalent interaction in detail. The Arg55⋯Asp2 shows the strongest interaction between E‐cadherin⋯ADTC5 modulation, indicated by the highest stabilization energy (E(2)), and hydrogen bonding energy (EHB) about 22.04 and −6.90 kcal/mol, respectively. This interaction is dominated by hydrogen bonding. Such advancements could lead to significant improvements in therapeutic strategies for neurodegenerative diseases, where effective drug delivery across the BBB remains a major challenge. [ABSTRACT FROM AUTHOR]

Cerium oxide (CeO2) was synthesized using the precipitation method at various calcination temperatures ranging from 500 to 700°C. Cerium(III) nitrate hexahydrate (Ce(NO)3.6H2O) was used as the precursor for cerium, while Cetyltrimethylammonium bromide (CTAB) acted as the morphology-directing agent. Characterization results indicated that pure CeO2 was obtained at all calcination temperature variations. Calcination temperature influences crystallinity, crystal size, and CeO2 crystal parameters. The crystallinity and crystal size of CeO2 increased with the rising calcination temperature, reaching values of 81.1-84.5% and 15.58-23.12 nm, respectively, along with larger crystal parameters as the temperature increased (a = 5.406-5.410 Å). Surface morphology showed irregular shapes of CeO2 particles, with decreasing sizes as the calcination temperature increased, ranging from 0.2-5.6 μm at 600°C to 0.12-2.9 μm at 700°C. The Ce/O ratio on the surface increased with the rising calcination temperature, reaching a range of 0.48-0.57. CeO2 obtained from calcination at 600°C exhibited the highest fluorescence emission intensity (λ= 496 nm), indicating the least oxygen vacancies presence. Therefore, for antioxidant and catalyst applications, it is preferable to calcinate CeO2 at 700°C. [ABSTRACT FROM AUTHOR]

Phospholipids are amphiphilic molecules that can be used as basic materials for drug delivery systems. Phospholipids can be obtained from natural sources such as sesame seeds. This study investigated the chemical properties of a phospholipid and the total lipids extracted from sesame seeds. The phospholipid extract, with a yield of 0.475%, was brownish-yellow. It has a crude fat content of 96% comprising of saturated fatty acids (Methyl, 14-methyl-Pentadecanoic acid) and two unsaturated fatty acids (9,12-Octadecadienoic acid and 11-Octadecenoic acid). FTIR analysis of the phospholipid revealed the presence of double bonds and a characteristic choline absorption. The antioxidant screening using the DPPH free radical scavenging method showed 34.16% and 30.98 % antioxidant activity on days 7 and 14, respectively. A peroxide number test revealed that it maintained a low peroxide value of 3.1988 mg O2/g even after 14 days in storage. The study concluded that the phospholipid extract of sesame seed has good antioxidant activity, chemical properties, and quality and could be used as a pharmaceutical excipient in drug delivery. [ABSTRACT FROM AUTHOR]