The title salt, CHN·CHNO·HO, represents a pseudo-polymer ionic material, resulting from the self-organizing behavior of 4,4'-azinodibenzoate dianions and doubly protonated, 1,8-diaminium-octane cations in aqueous solution. The asymmetric unit consists of two halves of octane 1,8-diaminium cations (the complete cations are both generated by crystallographic inversion symmetry), a 4,4'-azinodibenzoate anion [dihedral angle between the aromatic rings = 10.22 (4)°] and a water mol-ecule of crystallization. One of the cations is in a fully extended linear conformation while the second one has a terminal C-C-C-N conformation. In the crystal, the cations, anions and water mol-ecules are linked into a three-dimensional network a complex pattern of charge-assisted N-H⋯O and O-H⋯O hydrogen bonds.
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http://dx.doi.org/10.1107/S2056989018006187 | DOI Listing |
J Fluoresc
January 2025
College of Chemistry and Chemical Engineering, Donghua University, Shanghai, 201620, China.
Construction of single probes for simultaneous detection of common trivalent metal ions has attracted much attention due to higher efficiency in analysis and cost. A naphthalimide-based fluorescent probe K1 was synthesized for selective detection of Al, Cr and Fe ions. Fluorescence emission intensity at 534 nm of probe K1 in DMSO/HO (9:1, v/v) was significantly enhanced upon addition of Al, Cr and Fe ions while addition of other metal ions (Li, Na, K, Ag, Cu, Fe, Zn, Co, Ni, Mn, Sr, Hg, Ca, Mg, Ce, Bi and Au) did not bring about substantial change in fluorescence emission.
View Article and Find Full Text PDFJ Chem Inf Model
January 2025
Donostia International Physics Center (DIPC), 20018 Donostia-San Sebastián, Spain.
Desalination of seawater by forward osmosis is a technology potentially able to address the global water scarcity problem. The major challenge limiting its widespread practical application is the design of a draw solute that can be separated from water by an energetically efficient process and then reused for the next cycle. Recent experiments demonstrate that a promising draw solute for forward-osmosis desalination is tetrabutylphosphonium 2,4,6-trimethylbenzenesulfonate ([P][TMBS]).
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Key Laboratory of Functional Polymer Materials of Ministry of Education, College of Chemistry, Nankai University, Tianjin 300071, China.
CRISPR/Cas9 (CRISPR, clustered regularly interspaced short palindromic repeats) gene editing technology represents great promise for treating glioblastoma (GBM) due to its potential to permanently eliminate tumor pathogenic genes. Unfortunately, delivering CRISPR to the GBM in a safe and effective manner is challenging. Herein, a glycosylated and cascade-responsive nanoparticle (GCNP) that can effectively cross the blood-brain barrier (BBB) and activate CRISPR/Cas9-based gene editing only in the GBM is designed.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Fribourg Faculty of Science: Universite de Fribourg Faculte de sciences et de medecine, Adolphe Merkle Institue, Chemin des Verdiers 4, 1700, Fribourg, SWITZERLAND.
Metal halide perovskites have shown exceptional potential in converting solar energy to electric power in photovoltaics, yet their application is hampered by limited operational stability. This stimulated the development of hybrid layered (two-dimensional, 2D) halide perovskites based on hydrophobic organic spacers, templating perovskite slabs, as a more stable alternative. However, conventional organic spacer cations are electronically insulating, resulting in charge confinement within the inorganic slabs, thus limiting their functionality.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Departament de Farmàcia i Tecnologia Farmacèutica, i Fisicoquímica, Facultat de Farmàcia i Ciències de l'Alimentació, Universitat de Barcelona (UB), Barcelona, Spain.
Continuum solvation models such as the polarizable continuum model and the conductor-like screening model are widely used in quantum chemistry, but their application to large biosystems is hampered by their computational cost. Here, we report the parametrization of the Miertus-Scrocco-Tomasi (MST) model for the prediction of hydration free energies of neutral and ionic molecules based on the domain decomposition formulation of COSMO (ddCOSMO), which allows a drastic reduction of the computational cost by several orders of magnitude. We also introduce several novelties in MST, like a new definition of atom types based on hybridization and an automatic setup of the cavity for charged regions.
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