Supramolecular Self-Assembly in Materials

Smart hydrogels, which combine hydrogel properties such as biocompatibility, high drug loading capacity, and injectability while being responsive to external stimuli, are a subclass of smart materials. Smart hydrogels respond to effects that are not harmful to the human body, such as temperature, pH, light, and biomol…

Abstract Hierarchical materials in the natural world are often made through the self-assembly of amphiphilic molecules. Achieving similar structural complexity in synthetic materials requires understanding how various molecular parameters affect assembly behavior. In recent years, inverse surfactants─molecules with hy…

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Modern wound management has shifted from passive protective barriers toward smart, bioactive systems designed to actively support the physiological healing process.However, conventional wound dressings often fail to simultaneously maintain an optimal moist microenvironment and effectively control microbial colonizatio…

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Artificial intelligence (AI) is rapidly transforming reticular chemistry by enabling more efficient screening, design, and optimization of porous framework materials. To date, these advances have focused primarily on metal-organic frameworks (MOFs), largely because of the availability of extensive structural databases…

In this work, the formation of crosslinker-free gelatin-based hydrogels was investigated through a combined experimental and molecular dynamics (MD) simulation approach to understand the influence of concentration and temperature on gelation and hydrogel properties. Porcine skin gelatin (type A) was characterized usin…

• A new tetranuclear Pb(II) complex with a pyrazine-based ligand is reported. • Self-assembly is driven by Pb···S and Pb···N tetrel bonding interactions. • DFT/QTAIM analyses confirm perchlorate anions act as supramolecular glue. Combining aqueous Pb(OAc) 2 with a methanolic solution of the ligand N' -benzoylpyrazine-…

Abstract Lipopeptides are natural molecules with amphiphilic properties that exhibit various biological activities due to their lipid and peptide components. In this study, the structural, electronic, and vibrational properties of C16-Glu-Gln-Arg-Pro-Arg (C16-EQRPR), a newly synthesized lipopentapeptide formed by atta…

The cyclodextrin (CD) oligosaccharides derived materials, e.g., p(α-CD), p(β-CD), and p(γ-CD) microgels were used in Li + ion adsorption studies, which revealed 55.4 ± 3.9, 85.1 ± 3.8, and 117.8 ± 4.9 mg Li+/g, respectively, in 12 h from 500 mg/L 100 mL aqueous solutions. The Li+ ion adsorption by p(CD)-based microgel…

The increasing prevalence of antimicrobial resistance and biofilm-associated infections has intensified the search for alternative anti-infective strategies. Short peptide-based molecules have attracted growing interest due to their structural simplicity, biocompatibility, and multifunctional biological properties. In…

Abstract Elucidating the structure and dynamics of insulin and its analogs has been of broad interest, while presenting challenges due to the unique structural dynamics of insulin (composed itself of two multiply cross-linked peptides A and B) and its ability to assemble in a variety of oligomeric structures under phy…