During the past decade, deep eutectic solvents (DESs) have shown promising application in the self-assembly of surfactants. Various aggregates such as micelles, vesicles, lyotropic liquid crystals, microemulsions and gels have been reported. In this research, the phase behaviours of imidazolium surface active ionic liquids (SAILs) CnmimBr (n = 12, 14, 16) were investigated in ChG. With the help of small angle X-ray scattering (SAXS), the types and structure parameters of aggregates were determined. The molecular packing of SAILs was influenced by the solvophobic chain length, surfactant concentration, temperature and solvent, accounting for their different aggregation behaviours. This study would give a good description of the molecular packing of surfactants in DESs.
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http://dx.doi.org/10.1039/c9sm00760a | DOI Listing |
PLoS One
January 2025
Institute of Medical Biochemistry, Center for Molecular Biology of Inflammation, University of Muenster, Muenster, Germany.
Weibel-Palade bodies (WPB) are secretory organelles exclusively found in endothelial cells and among other cargo proteins, contain the hemostatic von-Willebrand factor (VWF). Stimulation of endothelial cells results in exocytosis of WPB and release of their cargo into the vascular lumen, where VWF unfurls into long strings of up to 1000 µm and recruits platelets to sites of vascular injury, thereby mediating a crucial step in the hemostatic response. The function of VWF is strongly correlated to its structure; in order to fulfill its task in the vascular lumen, VWF has to undergo a complex packing/processing after translation into the ER.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Department of Chemistry, Zhejiang Normal University, Yingbin Road No.688, Jinhua, 321004, P. R. China.
Polycyclic multiple resonance (MR) molecules reveal narrowband emission, making them very promising emitters for high color purity display. Nevertheless, they still have challenges such as aggregation-induced emission quenching and spectral broadening. Overcoming these obstacles requires an in-depth understanding of the correlations among the alterations in their geometries, packing structures, and molecular vibrations and their corresponding changes in their photoluminescence (PL) properties.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Departamento de Química Fundamental, Universidade Federal de Pernambuco, Recife, Pernambuco, Brazil.
While established guidelines exist for chirality in tetrahedral molecules, there is a notable absence of clear rules for recognizing metal-centered chirality in higher-coordination complexes. We develop decision trees to assess the likelihood of chirality-at-metal in coordination complexes with coordination numbers 4-9 with mono and bidentate ligands. Using binary decision rules based on shape, ligand type, and quantity, the trees classify complexes as chiral or achiral.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
East China Normal University, Department of Chemistry, 3663 N. Zhongshan Road, 200062, Shanghai, CHINA.
Aiming at the construction of novel platforms with excellent performances in both circularly polarized photoluminescence (CP-PL) and electrochemiluminescence (CP-ECL), a new family of pyrenophanes with rigidly locked pyrene dimers and varied bridges has been designed and synthesized. Attributed to densely packed pyrene excimers, the resultant pyrenophanes revealed tunable bridge-dependent emission behaviors, as investigated by femtosecond time-resolved transient absorption spectroscopy. More importantly, all these planar chiral pyrenophanes display strong CP-PL with large dissymmetry factor (gPL) values up to 0.
View Article and Find Full Text PDFAs more powerful high performance computing resources are becoming available, there is a new opportunity to bring the unique capabilities of molecular dynamics (MD) simulations to cell-scale systems. Membranes are ubiquitous within cells and are responsible for a diverse set of essential biological functions, but building atomistic models of cell-scale membranes for MD simulations is immensely challenging because of their vast sizes, complex geometries, and complex compositions. To meet this challenge, we have developed xMAS Builder (E perimentally-Derived embranes of rbitrary hape Builder), which is designed to take experimental lipidomics and structural (e.
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