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51.
Ur?a?Opara?Kra?ovecEmail author Marko?Topi? Anneke?Georg Andreas?Georg Goran?Dra?i? 《Journal of Sol-Gel Science and Technology》2005,36(1):45-52
Nano-structured WO3-TiO2 layers were prepared by the sol-gel route. To obtain transparent, porous and crack free layers up to 0.8 μ m with a single dipping cycle a templating strategy was used. As a template three-dimensionally network based on organically modified silane was introduced to the WO3 and TiO2 sols. The WO3 layers were dip-coated onto the conductive glass substrate (TCO) and the TiO2 layers on the top of the WO3 layer. The morphology and the structure of the layers were determined by Scanning Electron Microscopy (SEM), High Resolution Transmission Electron Microscopy (HR-TEM), Energy Dispersive X-Ray Spectroscopy (EDXS), Auger and Infrared spectroscopy. SEM image of the WO3-TiO2 layer confirmed the nano-porosity of the layers and give the size of the particles of about 10 nm for TiO2 and 30 nm for WO3 layer. Further analysis indicated that the titanium sol penetrates the WO3 layer. Particles in the WO3 layer consist of a crystalline monoclinic WO3 core surrounded by a 5–10 nm amorphous phase consisting of WO3, TiO2 and SiO2. The WO3-TiO2 layers were used to assemble all solid state photoelectrochromic (PE) devices. Under 1 sun irradiation (1000 W/m2) the visible transmittance of the PE device changes from 62% to 1.6%. The colouring and bleaching processes last about 10 minutes. 相似文献
52.
The interactive generation of chemical structures from given fragments is described and discussed. It is implemented as a part of our expert system CARBON, based on C-13 NMR spectra. As it is designed, this program can also be a useful tool in the structure elucidation process when information on parts of the structure is obtained by other means (IR, mass and other spectrometries, chemical analysis, other relevant information). The topological characteristics of candidate fragments are first chosen interactively and then the elements are connected in all topologically possible ways. In the following step, the topological building blocks are substituted by chemical structural fragments resulting in a set of all chemical structures consistent with the input information. 相似文献
53.
Magyari Jzef Barta Holl Berta Rodi Marko V. Jovanovi Ljiljana S. Mszros Szcsnyi Katalin Ferenc Wiesawa Osypiuk Dariusz Mosolyg Tmea Kincses Annamria Spengler Gabriella 《Journal of Thermal Analysis and Calorimetry》2022,147(1):229-242
Journal of Thermal Analysis and Calorimetry - New coordination compounds have been synthesized by reacting Zn(II) and Co(II) nitrate or acetate in the presence of triethylamine with Schiff-base... 相似文献
54.
Boris‐Marko Kukovec Zora Popovi Gordana Pavlovi 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(9):m389-m391
In the title compound, [Cd(C7H6NO2)2]n, the CdII ion has a distorted octahedral geometry. The 6‐methylpyridine‐2‐carboxylate anions are perpendicular to one another and act as bidentate and bridging ligands. Two carboxylate O atoms bridge the CdII ions, forming centrosymmetric dinuclear units. These units are further connected via carboxylate O atoms into a one‐dimensional polymeric chain which extends in the [100] direction. 相似文献
55.
56.
Mirjana M. Radanović Marko V. Rodić Stevan Armaković Sanja J. Armaković Ljiljana S. Vojinović-Ješić Vukadin M. Leovac 《Journal of Coordination Chemistry》2017,70(16):2870-2887
Two nitrate salts of the well-known, and due to its significant biological activity very important, compound pyridoxylidene aminoguanidine (PLAG) were obtained in the form of single crystals. Thus this ligand is structurally characterized for the first time. In addition, the first data on the structure of a Schiff base of aminoguanidine with the active form of vitamin B6, i.e. pyridoxal-phosphate, of the formula PLPAG·HCl·2H2O, are presented. Two new square-pyramidal Cu(II) complexes of PLAG were synthesized and their physicochemical and structural properties analyzed. In these complexes, PLAG is coordinated as a zwitter-ion, in a tridentate ONN manner, via the oxygen atom of the deprotonated phenolic OH-group and nitrogen atoms of the azomethine and imino group of the aminoguanidine moiety. For the first time it was possible to make a comparative analysis of the structural properties of ligand salts and the coordinated ligand, so the effects of coordination could be unequivocally pointed out. Common fragments encountered in ligand structures were compared by half-normal probability plots. Density functional theory calculations have been conducted in order to gain insight into reactive properties of the investigated molecules. Molecular electrostatic potential, average local ionization energy surfaces, and Fukui functions have been calculated in order to obtain further information on the reactive properties. 相似文献
57.
Admira Bilalic Tina Ticinovic Kurir Marko Kumric Josip A. Borovac Andrija Matetic Daniela Supe-Domic Josko Bozic 《Molecules (Basel, Switzerland)》2021,26(4)
Vascular calcification contributes to the pathogenesis of coronary artery disease while matrix Gla protein (MGP) was recently identified as a potent inhibitor of vascular calcification. MGP fractions, such as dephosphorylated-uncarboxylated MGP (dp-ucMGP), lack post-translational modifications and are less efficient in vascular calcification inhibition. We sought to compare dp-ucMGP levels between patients with acute coronary syndrome (ACS), stratified by ST-elevation myocardial infarction (STEMI) and non-ST-elevation myocardial infarction (NSTEMI) status. Physical examination and clinical data, along with plasma dp-ucMGP levels, were obtained from 90 consecutive ACS patients. We observed that levels of dp-ucMGP were significantly higher in patients with NSTEMI compared to STEMI patients (1063.4 ± 518.6 vs. 742.7 ± 166.6 pmol/L, p < 0.001). NSTEMI status and positive family history of cardiovascular diseases were only independent predictors of the highest tertile of dp-ucMGP levels. Among those with NSTEMI, patients at a high risk of in-hospital mortality (adjudicated by GRACE score) had significantly higher levels of dp-ucMGP compared to non-high-risk patients (1417.8 ± 956.8 vs. 984.6 ± 335.0 pmol/L, p = 0.030). Altogether, our findings suggest that higher dp-ucMGP levels likely reflect higher calcification burden in ACS patients and might aid in the identification of NSTEMI patients at increased risk of in-hospital mortality. Furthermore, observed dp-ucMGP levels might reflect differences in atherosclerotic plaque pathobiology between patients with STEMI and NSTEMI. 相似文献
58.
Jana ic
labur Marko Brajer Sandra Voa Ante Gali Sanja Radman Suzana Rimac-Brn
i Qiang Xia Zhenzhou Zhu Nabil Grimi Francisco J. Barba Nataa Hulak 《Molecules (Basel, Switzerland)》2021,26(7)
Spices are a popular food of plant origin, rich in various phytochemicals and recognized for their numerous properties. The aim of the study was to evaluate the antioxidant and antimicrobial activity, as well as the content of specialized metabolites, of aqueous extracts of three spice species––garlic (Allium sativum L.), ginger (Zingiber officinalle L.) and turmeric (Curcuma longa L.)––prepared by green extraction methods. Ultrasound treatment increased the chromaticity parameter b value of turmeric and ginger extracts, thus indicating a higher yellow color predominantly due to curcuminoids characteristic of these species. Ultrasound-assisted extraction significantly increased the content of total soluble solids, phenolic compounds, total carotenoids and vitamin C. The temperature of the system was also an important factor, with the highest (70 °C) conditions in ultrasound-assisted extraction having a positive effect on thermolabile compounds (vitamin C, phenolics, total carotenoids). For example, turmeric extract treated with ultrasound at 70 °C had up to a 67% higher vitamin C content and a 69.4% higher total carotenoid content compared to samples treated conventionally at the same temperature, while ginger extracts had up to 40% higher total phenols. All different concentrations of spice extracts were not sufficient for complete inhibition of pathogenic bacterial strains of Salmonella, L. monocytogenes and S. aureus; however, only garlic extracts had an effect on slowing down the growth and number of L. monocytogenes colonies. Spice extracts obtained by ultrasonic treatment contained a significantly higher level of bioactive compounds and antioxidant capacity, suggesting that the extracts obtained have significant nutritional potential and thus a significant possibility for phytotherapeutic uses. 相似文献
59.
Grand canonical ensemble approach to electrochemical thermodynamics,kinetics, and model Hamiltonians
The unique feature of electrochemistry is the ability to control reaction thermodynamics and kinetics by the application of electrode potential. Recently, theoretical methods and computational approaches within the grand canonical ensemble (GCE) have enabled to explicitly include and control the electrode potential in first principles calculations. In this review, recent advances and future promises of GCE density functional theory and rate theory are discussed. Particular focus is devoted to considering how the GCE methods either by themselves or combined with model Hamiltonians can be used to address intricate phenomena such as solvent/electrolyte effects and nuclear quantum effects to provide a detailed understanding of electrochemical reactions and interfaces. 相似文献
60.
Jesús Alberto Afonso Urich Viktoria Marko Katharina Boehm Raymar Andreína Lara García Dalibor Jeremic Amrit Paudel 《Molecules (Basel, Switzerland)》2021,26(21)
A novel and efficient stability-indicating, reverse phase ultra-performance liquid chromatographic (UPLC®) analytical method was developed and validated for the determination of hexoprenaline in an injectable dosage form. The development of the method was performed using analytical quality by design (AQbD) principles, which are aligned with the future requirements from the regulatory agencies using AQbD principles. The method was developed by assessing the impact of ion pairing, the chromatographic column, pH and gradient elution. The development was achieved with a Waters Acquity HSS T3 (50 × 2.1 mm i.d., 1.8 µm) column at ambient temperature, using sodium dihydrogen phosphate 5 mM + octane-1-sulphonic acid sodium salt 10 mM buffer pH 3.0 (Solution A) and acetonitrile (Solution B) as mobile phases in gradient elution (t = 0 min, 5% B; t = 1 min, 5% B; t = 5 min, 50% B; t = 7 min, 5% B; t = 10 min, 5% B) at a flow rate of 0.5 mL/min and UV detection of 280 nm. The linearity was proven for hexoprenaline over a concentration range of 3.50–6.50 µg/mL (R2 = 0.9998). Forced degradation studies were performed by subjecting the samples to hydrolytic (acid and base), oxidative, and thermal stress conditions. Standard solution stability was also performed. The proposed validated method was successfully used for the quantitative analysis of bulk, stability and injectable dosage form samples of the desired drug product. Using the AQbD principles, it is possible to generate methodologies with enhanced knowledge, which can eventually lead to a reduced regulatory risk, high quality data and lower operational costs. 相似文献