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161.
Svetlana I. Dorovskikh Denis E. Tryakhov Darya D. Klyamer Alexander S. Sukhikh Irina V. Mirzaeva Natalia B. Morozova Tamara V. Basova 《Molecules (Basel, Switzerland)》2022,27(7)
To search for new suitable Pd precursors for MOCVD/ALD processes, the extended series of fluorinated palladium complexes [Pd(CH3CXCHCO(R))2] with β-diketone [tfa−1,1,1-trifluoro-2,4-pentanedionato (1); pfpa−5,5,6,6,6-pentafluoro-2,4-hexanedionato (3); hfba−5,5,6,6,7,7,7-heptafluoro-2,4-heptanedionato (5)] and β-iminoketone [i-tfa−1,1,1-trifluoro-2-imino-4-pentanonato (2); i-pfpa−5,5,6,6,6-pentafluoro-2-imino-4-hexanonato (4); i-hfba-5,5,6,6,7,7,7-heptafluoro-2-imino-4-heptanonato (6)] ligands were synthesized with 70–80% yields and characterized by a set of experimental (SXRD, XRD, IR, NMR spectroscopy, TG) and theoretical (DFT, Hirshfeld surface analysis) methods. Solutions of Pd β-diketonates contained both cis and trans isomers, while only trans isomers were detected in the solutions of Pd β-iminoketonates. The molecules 2–6 and new polymorphs of complexes 3 and 5 were arranged preferentially in stacks, and the distance between molecules in the stack generally increased with elongation of the fluorine chain in ligands. The H…F contacts were the main ones involved in the formation of packages of molecules 1–2, and C…F, F…F, NH…F contacts appeared in the structures of complexes 4–6. The stability of complexes and their polymorphs in the crystal phases were estimated from DFT calculations. The TG data showed that the volatility differences between Pd β-iminoketonates and Pd β-diketonates were minimized with the elongation of the fluorine chain in the ligands. 相似文献
162.
Jinsu Bae Yeo-Ok Kim Xuehao Han Myung-Ha Yoon Woong-Mo Kim Yong-Chul Kim 《Molecules (Basel, Switzerland)》2022,27(4)
P2X3 receptors (P2X3R) are ATP-gated ion channels predominantly expressed in C- and Aδ-fiber primary afferent neurons and have been introduced as a novel therapeutic target for neurological disorders, including neuropathic pain and chronic cough. Because of its localized distribution, antagonism of P2X3R has been thoroughly considered, and the avoidance of issues related to CNS side effects has been proven in clinical trials. In this article, benzimidazole-4,7-dione-based derivatives were introduced as a new chemical entity for the development of P2X3R antagonists. Starting from the discovery of a hit compound from the screening of 8364 random library compounds in the Korea Chemical Bank, which had an IC50 value of 1030 nM, studies of structure–activity and structure–property relationships enabled further optimization toward improving the antagonistic activities as well as the drug’s physicochemical properties, including metabolic stability. As for the results, the final optimized compound 14h was developed with an IC50 value of 375 nM at P2X3R with more than 23-fold selectivity versus P2X2/3R, along with properties of metabolic stability and improved solubility. In neuropathic pain animal models evoked by either nerve ligation or chemotherapeutics in male Sprague-Dawley rats, compound 14h showed anti-nociceptive effects through an increase in the mechanical withdrawal threshold as measured by von Frey filament following intravenous administration. 相似文献
163.
Mehreen Ghias Syed Wadood Ali Shah Fakhria A. Al-Joufi Mohammad Shoaib Syed Muhammad Mukarram Shah Muhammad Naeem Ahmed Muhammad Zahoor 《Molecules (Basel, Switzerland)》2022,27(4)
Natural flavonoids, in addition to some of their synthetic derivatives, are recognized for their remarkable medicinal properties. The present study was designed to investigate the in vitro antioxidant and in vivo antistress effect of synthetic flavonoids (flavones and flavonols) in mice, where stress was induced by injecting acetic acid and physically through swimming immobilization. Among the synthesized flavones (F1–F6) and flavonols (OF1–OF6), the mono para substituted methoxy containing F3 and OF3 exhibited maximum scavenging potential against DPPH (2,2-diphenyl-1-picrylhydrazyl) with IC50 of 31.46 ± 1.46 μg/mL and 25.54 ± 1.21 μg/mL, respectively. Minimum antioxidant potential was observed for F6 and OF6 with IC50 values of 174.24 ± 2.71 μg/mL and 122.33 ± 1.98 μg/mL, respectively, in comparison with tocopherol. The ABTS scavenging activity of all the synthesized flavones and flavonols were significantly higher than observed with DPPH assay, indicating their potency as good antioxidants and the effectiveness of ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate) assay in evaluating antioxidant potentials of chemical substances. The flavonoids-treated animals showed a significant (* p < 0.05, ** p < 0.01 and *** p < 0.001, n = 8) reduction in the number of writhes and an increase in swimming endurance time. Stressful conditions changed plasma glucose, cholesterol and triglyceride levels, which were used as markers when evaluating stress in animal models. The level of these markers was nearly brought to normal when pre-treated with flavones and flavonols (10 mg/kg) for fifteen days in experimental animals. These compounds also considerably reduced the levels of lipid peroxidation (TBARS: Thiobarbituric acid reactive substances), which was significant (* p < 0.05, ** p < 0.01 and *** p < 0.001, n = 8) compared to the control group. A significant rise in the level of catalase and SOD (super oxide dismutase) was also observed in the treated groups. Diazepam (2 mg/kg) was used as the standard drug. Additionally, the flavonoids markedly altered the weight of the adrenal glands, spleen and brain in stress-induced mice. The findings of the study suggest that these flavonoids could be used as a remedy for stress and are capable of ameliorating diverse physiological and biochemical alterations associated with stressful conditions. However, further experiments are needed to confirm the observed potentials in other animal models, especially in those with a closer resemblance to humans. Toxicological evaluations are also equally important. 相似文献
164.
Ph. Quevauviller G. U. Fortunati M. Filippelli F. Baldi M. Bianchi H. Muntau 《应用有机金属化学》1996,10(7):537-544
The results are presented of an interlaboratory study on methylmercury (MeHg) in sediment carried out by a group of European laboratories within the framework of a project managed by the EC Standards, Measurements and Testing Programme (formerly BCR). The aim of this exercise was to evaluate the performance of current methods used for MeHg determination in sediment in order to improve the state-of-the-art prior to the certification of a candidate reference material. The paper describes the organization of the interlaboratory study, the preparation of the sediment material used, the techniques evaluated and the results obtained by the participating laboratories. The outcome of the collaborative project showed that certification could be contemplated, providing that certain analytical techniques were optimized, especially with regard to extraction methods. 相似文献
165.
Durgaramani Sivadasan Muhammad H. Sultan Osama Ali Madkhali Shahd Hassan Alsabei Asia Abdullah Alessa 《Molecules (Basel, Switzerland)》2022,27(3)
Numerous attempts to overcome the poor water solubility of cam ptothecin (CPT) by various nano drug delivery systems are described in various sources in the literature. However, the results of these approaches may be hampered by the incomplete separation of free CPT from the formulations, and this issue has not been investigated in detail. This study aimed to promote the solubility and continuous delivery of CPT by developing long-lasting liposomes using various weights (M.W. 2000 and 5000 Daltons) of the hydrophilic polymer polyethylene glycol (PEG). Conventional and PEGylated liposomes containing CPT were formulated via the lipid film hydration method (solvent evaporation) using a rotary flash evaporator after optimising various formulation parameters. The following physicochemical characteristics were investigated: surface morphology, particle size, encapsulation efficiency, in vitro release, and formulation stability. Different molecular weights of PEG were used to improve the encapsulation efficiency and particle size. The stealth liposomes prepared with PEG5000 were discrete in shape and with a higher encapsulation efficiency (83 ± 0.4%) and a prolonged rate of drug release (32.2% in 9 h) compared with conventional liposomes (64.8 ± 0.8% and 52.4%, respectively) and stealth liposomes containing PEG2000 (79.00 ± 0.4% and 45.3%, respectively). Furthermore, the stealth liposomes prepared with PEG5000 were highly stable at refrigeration temperature. Significant changes were observed using various pharmacokinetic parameters (mean residence time (MRT), half-life, elimination rate, volume of distribution, clearance, and area under the curve) of stealth liposomes containing PEG2000 and PEG5000 compared with conventional liposomes. The stealth liposomes prepared with PEG5000 showed promising results with a slow rate of release over a long period compared with conventional liposomes and liposomes prepared with PEG2000, with altered tissue distribution and pharmacokinetic parameters. 相似文献
166.
Witchayani Bungthong Parinya Amornsettachai Penporn Luangchana Boontharika Chuenjitkuntaworn Suphachai Suphangul 《Molecules (Basel, Switzerland)》2022,27(3)
This prospective clinical study aimed to evaluate the peri-implant hard tissue dimensional change at 6 months of immediate implant placement with bone graft materials in the posterior area using cone-beam computed tomography (CBCT). Twelve dental implants were placed concurrently following tooth extraction in the posterior area and filled with xenograft particles. The CBCT images were taken immediately after surgical procedures and then at 6 months follow-up. To evaluate the hard tissue changes, the vertical and horizontal bone thickness were analyzed and measured using ImageJ software. Paired t-test or Wilcoxon match-pair signed-rank test was done to analyze the changes of hard tissue values at the same level between immediately and 6 months following immediate implant placement. Independent t-test or Mann–Whitney U test was used to analyze the dimensional change in the vertical and horizontal direction in buccal and lingual aspects. The level of significance was set at p value = 0.05. All implants were successfully osseointegrated. At 6 months follow-up, the vertical bone change at the buccal aspect was −0.69 mm and at the lingual aspect −0.39 mm. For horizontal bone thickness, the bone dimensional changes at 0, 1, 5, and 9 mm levels from the implant platform were −0.62 mm, −0.70 mm, −0.24 mm, and −0.22 mm, respectively. A significant bone reduction was observed in all measurement levels during the 6 months after implant placement (p value < 0.05). It was noted that even with bone grafting, a decrease in bone thickness was seen following the immediate implant placement. Therefore, this technique can be an alternative method to place the implant in the posterior area. 相似文献
167.
利用第一性原理对Li原子掺杂C28的分子器件的热自旋输运性质进行了计算。在不同的温度场下,上下自旋分别为Li原子掺杂C28的分子器件中的空穴和电子提供了输运通道,在MJ1和MJ3分子器件中,热自旋电流随着温度增加而增大,但在MJ2分子器件中,热自旋电流先增大再减小。三种分子器件都出现了自旋塞贝克效应,MJ2还出现了负微分电阻现象,利用费米-狄拉克分布和自旋输运谱对其物理机理进行了解释。根据Li掺杂C28的单分子器件的热自旋输运性质,可设计新的自旋纳米器件。 相似文献
168.
针对架空输电线路铁塔中常用的四地脚螺栓塔脚板进行了抗拉承载力试验和理论计算方法研究。首先,选取8个试件进行塔脚板抗拉承载力试验研究,分析塔脚底板板厚及有无加劲板对塔脚板抗拉承载力的影响;其次,通过有限元模拟塔脚板的应力分布情况,并结合“塑性分析,弹性设计”的思想,提出了一种基于屈服线理论的四地脚螺栓塔脚板抗拉承载力计算公式;最后,与试验结果、有限元仿真结果、已有技术规定中的计算结果进行了对比。结果表明:建议公式与试验结果和仿真结果较为吻合,相关技术规定中的计算结果偏于保守,验证了本文建议公式的精确性;底板厚度和加劲板的作用对塔脚板承载力影响较大。研究结果可为输电铁塔四地脚螺栓塔脚板结构设计提供参考。 相似文献
169.
170.
《Physics letters. A》2020,384(24):126453
In this article, we study the exchange coupling interactions of the equiatomic quaternary Heusler alloy CoFeTiSn, using the two methods: Monte Carlo simulations and the ab-initio method. In a first step, we use the ab-initio calculations to investigate the structural, the electronic and the magnetic properties of this alloy under the GGA method. The analysis of the energy dependence on the lattice parameter a (Å) of the equiatomic quaternary Heusler alloy CoFeTiSn, is discussed for different atomic configurations. The ferromagnetic configuration is found to be the more stable one, with an optimal lattice parameter value 6.00 Å. On the other hand, the electronic structure results show that the compound CoFeTiSn exhibits a half-metallic character and a spin polarization of 100% at the Fermi-level. The total magnetic moment of this alloy is found to be equal to 2.00 μB which follows the Slater Pauling rule. Our results support the half-metallic behavior of the studied material. In order to complete this study, we reported the dependence of the critical transition temperature as a function of the parameter α of the equiatomic quaternary Heusler alloy CoFeTiSn. We showed that the critical temperature increases almost linearly with an increase of the values of the parameter α. 相似文献