A M2L2 rectangular-shaped metallacycle, obtained by metal-directed self-assembly of a 2-(pyridin-4-ylmethyl)-2,7-diazapyrenium salt and [(en)Pd(NO3)2 (en=ethylenediamine), has been investigated as a molecular receptor for a wide range of aromatic substrates in water. Complexation and catenation of the receptor with selected mono- and polycyclic aromatic substrates produced 1:1 inclusion complexes and [2]catenanes in a highly efficient fashion, as determined by NMR and UV/Vis spectroscopic techniques, as well as single-crystal X-ray crystallography. Furthermore, the thermodynamic and kinetic features of the complexation processes have been analyzed for selected model guests.
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http://dx.doi.org/10.1002/chem.201501087 | DOI Listing |
An interesting security method for a multiple-image authentication scheme is proposed based on computer-generated holograms and a logistic map. First, each original image is encoded as the complex-valued hologram under the point light source model. The resulting hologram is then converted to a phase-only hologram using the Floyd-Steinberg dithering algorithm.
View Article and Find Full Text PDFJ Mol Model
October 2024
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, People's Republic of China.
Context: High-pressure chemistry has advantages in exploring novel energetic materials and is the key to the development of new high-energy materials. The complexity and danger of experimental processes require a deeper understanding by advanced simulation techniques. Therefore, a high-precision comparative DFT-D study was performed to investigate the effect of pressure on series of catenated nitrogen energetic crystals.
View Article and Find Full Text PDFJ Am Chem Soc
August 2024
Institute for Inorganic Chemistry, Julius-Maximilians-Universität Würzburg, Am Hubland, Würzburg 97074, Germany.
Borane coordination, B-H borane bond activation, and borane catenation via metal-mediated dehydrocoupling to form electron-precise B-B bonds are reported. The reaction of -[M(IMes)Cl] (M = W, Mo) (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene) with borates Li[BHR] (R = Mes, Dur; Mes = 2,4,6-MeCH and Dur = 2,3,5,6-MeCH) afforded the complexes [M(IMes)(η-HBR)(η-HBR)] (M = W: R = Mes , R = Dur ; M = Mo: R = Mes , R = Dur ). Three borane ligands are coordinated in to the group 6 metal atom via five (σ-B-H) bonds.
View Article and Find Full Text PDFNat Commun
July 2024
Genome Damage and Stability Centre, School of Life Sciences, University of Sussex, Brighton, BN1 9RH, UK.
DNA replication and transcription generate DNA supercoiling, which can cause topological stress and intertwining of daughter chromatin fibers, posing challenges to the completion of DNA replication and chromosome segregation. Type II topoisomerases (Top2s) are enzymes that relieve DNA supercoiling and decatenate braided sister chromatids. How Top2 complexes deal with the topological challenges in different chromatin contexts, and whether all chromosomal contexts are subjected equally to torsional stress and require Top2 activity is unknown.
View Article and Find Full Text PDFNat Commun
May 2024
Engineering Research Center of Advanced Rare Earth Materials (Ministry of Education), Department of Chemistry, Tsinghua University, 100084, Beijing, PR China.
Mechanically interlocked molecules (MIMs) including famous catenanes show switchable physical properties and attract continuous research interest due to their potential application in molecular devices. The advantages of using spin crossover (SCO) materials here are enormous, allowing for control through diverse stimuli and highly specific functions, and enabling the transfer of the internal dynamics of MIMs from solution to solid state, leading to macroscopic applications. Herein, we report the efficient self-assembly of catenated metal-organic frameworks (termed catena-MOFs) induced by stacking interactions, through the combination of rationally selected flexible and conjugated naphthalene diimide-based bis-pyridyl ligand (BPND), [M(CN)] (M = Ag or Au) and Fe in a one-step strategy.
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