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Aurophilic interaction-based aggregation of gem-digold(I) aryls towards high spin-orbit coupling and strong phosphorescence.
Nat Commun
January 2025
Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing, China.
Luminescent gold(I) compounds have attracted intensive attention due to anticipated strong spin-orbit coupling (SOC) resulting from heavy atom effect of gold atoms. However, some mononuclear gold(I) compounds are barely satisfactory. Here, we unveil that low participation of gold in transition-related orbitals, caused by 6s-π symmetry mismatch, is the cause of low SOCs in monogold(I) compounds.
View Article and Find Full Text PDFCombined nerve and tendon transfer strategy for the restoration of grasp in tetraplegia; a case report.
Spinal Cord Ser Cases
January 2025
Center for Advanced Reconstruction of Extremities (CARE), Sahlgrenska University Hospital/Mölndal, Mölndal, Sweden.
Introduction: By combining nerve and tendon transfer procedures, a more versatile hand function can be expected. Here we report the long-term outcomes of novel, individualized reconstruction strategies using combined nerve and tendon transfer procedures (CNaTT) to restore prehension and grasp in two patients with tetraplegia.
Case Presentation: Two women, 45 years of age, underwent bilateral nerve transfer according to the Bertelli S-PIN (supinator to posterior interosseous nerve transfer) procedure.
Optimising reaction conditions in flasks for performances in organic light-emitting devices.
Chem Sci
December 2024
Department of Chemistry, The University of Tokyo Hongo 7-3-1, Bunkyo-ku Tokyo 113-0033 Japan
A method for correlating reaction conditions with device performance was developed by combining Design-of-Experiments and machine-learning strategies in multistep device fabrication processes. This method allowed the "from-flask-to-device" optimisation of a macrocyclisation reaction yielding a mixture of methylated []cyclo--phenylenes, and a crude raw material was directly applied to the fabrication of Ir-doped organic light-emitting devices spin-coating. The method succeeded in eliminating energy-consuming and waste-producing separation and purification steps during device fabrication.
View Article and Find Full Text PDFStacked-ring aromaticity from the viewpoint of the effective number of π-electrons.
Chem Sci
December 2024
Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University Toyonaka Osaka 560-8531 Japan
In this study, we theoretically examined the mechanism of aromaticity induced in closely stacked cofacial π-dimers of 4π antiaromatic molecules, which is called stacked-ring aromaticity, in terms of the effective number of π-electrons ( ) and Baird's rule. High-precision quantum chemical calculations combined with a multi-configurational wavefunction analysis revealed that double-triplet [(TT)] and intermolecular charge-transfer (CT) electron configurations mix substantially in the ground state wavefunctions of cyclobutadiene and Ni(ii) norcorrole dimer models at small stacking distance (). Since the T configuration gives rise to two unpaired electrons, the remaining 4 - 2 π electrons still participate in the intramolecular conjugation, which can be interpreted as the origin of the aromaticity of each monomer.
View Article and Find Full Text PDFHighly efficient heteronuclear polarization transfer using dipolar-echo edited R-symmetry sequences in solid-state NMR.
Chem Sci
December 2024
State Key Laboratory of Catalysis, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences Zhongshan Road 457 Dalian 116023 China
In solid-state NMR, dipolar-based heteronuclear polarization transfer has been extensively used for sensitivity enhancement and multidimensional correlations, but its efficiency often suffers from undesired spin interactions and hardware limitations. Herein, we propose a novel dipolar-echo edited R-symmetry (DEER) sequence, which is further incorporated into the INEPT-type scheme, dubbed DEER-INEPT, for achieving highly efficient heteronuclear polarization transfer. Numerical simulations and NMR experiments demonstrate that DEER-INEPT offers significantly improved robustness, enabling efficient polarization transfer under a wide range of MAS conditions, from slow to ultrafast rates, outperforming existing methods.
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