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1.
Giang Truong Nguyen Prof. Dr. Liviu Ungur 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202200227
Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs. 相似文献
2.
Zhengcheng Wang Shangyan Zhou Wei Liao Qian Zhou Meida Chen Jin Long Prof. Qingmei Wang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(66):e202201987
The designs of efficient and inexpensive Pt-based catalysts for methanol oxidation reaction (MOR) are essential to boost the commercialization of direct methanol fuel cells. Here, the highly catalytic performance PtFe alloys supported on multiwalled carbon nanotubes (MWCNTs) decorating nitrogen-doped carbon (NC) have been successfully prepared via co-engineering of the surface composition and electronic structure. The Pt1Fe3@NC/MWCNTs catalyst with moderate Fe3+ feeding content (0.86 mA/mgPt) exhibits 2.26-fold enhancement in MOR mass activity compared to pristine Pt/C catalyst (0.38 mA/mgPt). Furthermore, the CO oxidation initial potential of Pt1Fe3@NC/MWCNTs catalyst is lower relative to Pt/C catalyst (0.71 V and 0.80 V). Benefited from the optimal surface compositions, the anti-corrosion ability of MWCNT, strong electron interaction between PtFe alloys and MWCNTs and the N-doped carbon (NC) layer, the Pt1Fe3@NC/MWCNTs catalyst presents an improved MOR performance and anti-CO poisoning ability. This study would open up new perspective for designing efficient electrocatalysts for the DMFCs field. 相似文献
3.
Hongjin Wang Tengfei Long Hao Zhang Meng Li Qi Sun Xin Zhai Lixin Sun 《Biomedical chromatography : BMC》2022,36(4):e5301
3,4-Difluorobenzyl(1-ethyl-5-(4-((4-hydroxypiperidin-1-yl)-methyl)thiazol-2-yl)-1H-indol-3-yl)carbamate (NAI59), a small molecule with outstanding therapeutic effectiveness to anti-pulmonary fibrosis, was developed as an autotaxin inhibitor candidate compound. To evaluate the pharmacokinetics and plasma protein binding of NAI59, a UPLC–MS/MS method was developed to quantify NAI59 in plasma and phosphate-buffered saline. The calibration curve linearity ranged from 9.95 to 1990.00 ng/mL in plasma. The accuracy was −6.8 to 5.9%, and the intra- and inter-day precision was within 15%. The matrix effect and recovery, as well as dilution integrity, were within the criteria. The chromatographic and mass spectrometric conditions were also feasible to determine phosphate-buffered saline samples, and it has been proved that this method exhibits good precision and accuracy in the range of 9.95–497.50 ng/mL in phosphate-buffered saline. This study is the first to determine the pharmacokinetics, absolute bioavailability, and plasma protein binding of NAI59 in rats using this established method. Therefore, the pharmacokinetic profiles of NAI59 showed a dose-dependent relationship after oral administration, and the absolute bioavailability in rats was 6.3%. In addition, the results of protein binding showed that the combining capacity of NAI59 with plasma protein attained 90% and increased with the increase in drug concentration. 相似文献
4.
Mathematical Programming - Convergence analysis of accelerated first-order methods for convex optimization problems are developed from the point of view of ordinary differential equation solvers. A... 相似文献
5.
We consider concentrated vorticities for the Euler equation on a smooth domain in the form of supported on well-separated vortical domains , , of small diameters . A conformal mapping framework is set up to study this free boundary problem with being part of unknowns. For any given vorticities and small , through a perturbation approach, we obtain such piecewise constant steady vortex patches as well as piecewise smooth Lipschitz steady vorticities, both concentrated near non-degenerate critical configurations of the Kirchhoff–Routh Hamiltonian function. When vortex patch evolution is considered as the boundary dynamics of , through an invariant subspace decomposition, it is also proved that the spectral/linear stability of such steady vortex patches is largely determined by that of the 2N-dimensional linearized point vortex dynamics, while the motion is highly oscillatory in the 2N-codim directions corresponding to the vortical domain shapes. 相似文献
6.
The research progress of a novel traffic solution,a submerged floating tunnel(SFT),is reviewed in terms of a study approach and loading scenario.Among existing publications,the buoyancy-weight ratio(BWR) is usually predefined.However,BWR is a critical structural parameter that tremendously affects the dynamic behaviour of not only the tunnel tube itself but also the cable system.In the context of a SFT prototype(SFTP) project in Qiandao Lake(Zhejiang Province,China),the importance of BWR is illustrated by finite element analysis and subsequently,an optimized BWR is proposed within a reasonable range in the present study.In the numerical model,structural damping is identified to be of importance.Rayleigh damping and the corresponding Rayleigh coefficients are attained through a sensitivity study,which shows that the adopted damping ratios are fairly suitable for SFTP.Lastly,the human sense of security is considered by quantifying the comfort index,which helps further optimize BWR in the SFTP structural parameter design. 相似文献
7.
The Effect of the Spacer of Bis(biurea) Ligands on the Structure of A2L3‐type (A=anion) Phosphate Complexes 下载免费PDF全文
Prof. Biao Wu Dr. Shaoguang Li Prof. Yibo Lei Prof. Huaiming Hu Dr. Nader de Sousa Amadeu Prof. Dr. Christoph Janiak Dr. Jennifer S. Mathieson Dr. De‐Liang Long Prof. Leroy Cronin Prof. Xiao‐Juan Yang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(6):2588-2593
By tuning the length and rigidity of the spacer of bis(biurea) ligands L, three structural motifs of the A2L3 complexes (A represents anion, here orthophosphate PO43?), namely helicate, mesocate, and mono‐bridged motif, have been assembled by coordination of the ligand to phosphate anion. Crystal structure analysis indicated that in the three complexes, each of the phosphate ions is coordinated by twelve hydrogen bonds from six surrounding urea groups. The anion coordination properties in solution have also been studied. The results further demonstrate the coordination behavior of phosphate ion, which shows strong tendency for coordination saturation and geometrical preference, thus allowing for the assembly of novel anion coordination‐based structures as in transition‐metal complexes. 相似文献
8.
Efficacy of incorporating PCMs into the commercial wall on the energy-saving annual thermal analysis
Nguyen Quyen Naghieh Alireza Kalbasi Rasool Akbari Mohammad Karimipour Arash Tlili Iskander 《Journal of Thermal Analysis and Calorimetry》2021,143(3):2179-2187
Journal of Thermal Analysis and Calorimetry - In this study, the efficacy of incorporating phase change material (PCM) into the building walls on the annual heat transfer reduction is examined.... 相似文献
9.
Bao Nguyen Xuan Duy Khanh Phan Quoc Tung Nguyen Minh 《Set-Valued and Variational Analysis》2022,30(2):465-486
Set-Valued and Variational Analysis - We aim to establish Karush-Kuhn-Tucker multiplier rules involving higher-order complementarity slackness under Hölder metric subregularity. These rules... 相似文献
10.
Synthesis of partially fluorinated poly(arylene ether sulfone) multiblock copolymers bearing perfluorosulfonic functions 下载免费PDF全文
Luca Assumma Cristina Iojoiu Régis Mercier Sandrine Lyonnard Huu Dat Nguyen Emilie Planes 《Journal of polymer science. Part A, Polymer chemistry》2015,53(16):1941-1956
Partially fluorinated poly(arylene ether sulfone) multiblock copolymers bearing perfluorosulfonic functions (ps‐PES‐FPES), with ionic exchange capacity (IEC) ranging between 0.9 and 1.5 meq H+/g, are synthesized by regioselective bromination of partially fluorinated poly(arylene ether sulfone) multiblock copolymers (PES‐FPES), followed by Ullman coupling reaction with lithium 1,1,2,2‐tetrafluoro‐2‐(1,1,2,2‐tetrafluoro‐2‐iodoethoxy)ethanesulfonate. The PES‐FPES are prepared by aromatic nucleophilic substitution reaction by an original approach, that is, “one pot two reactions synthesis.” The chemical structures of polymers are analyzed by 1H and 19F NMR spectroscopy. The resulted ionomers present two distinct glass transitions and α relaxations revealing phase separation between the hydrophilic and the hydrophobic domains. The phase separation is observed at much lower block lengths of ps‐PES‐FPES as compared with the literature. AFM and SANS observations supported the phase separation, the hydrophilic domains are well dispersed but the connectivity to each other depends on the ps‐PES block lengths. The thermomechanical behavior, the water up‐take, and the conductivity of the ps‐PES‐FPES membranes are compared with those of Nafion 117® and randomly functionalized polysulfone (ps‐PES). Conductivities close or higher to those of Nafion 117® are obtained. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 1941–1956 相似文献