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Elemental formula

Oscar A Lenis-Rojas, M Paula Robalo, Ana Isabel Tomaz, Andreia Carvalho, Alexandra R Fernandes, Fernanda Marques, Mónica Folgueira, Julián Yáñez, Digna Vázquez-García, Margarita López Torres, Alberto Fernández, Jesús J Fernández
Ruthenium(II) complexes are currently considered a viable alternative to the widely used platinum complexes as efficient anticancer agents. We herein present the synthesis and characterization of half-sandwich ruthenium compounds with the general formula [Ru( p-cymene)(L-N,N)Cl][CF3 SO3 ] (L = 3,6-di-2-pyridyl-1,2,4,5-tetrazine (1) 6,7-dimethyl-2,3-bis(pyridin-2-yl)quinoxaline (2)), which have been synthesized by substitution reactions from the precursor dimer [Ru( p-cymene)(Cl)(μ-Cl)]2 and were characterized by elemental analysis, mass spectrometry, 1 H NMR, UV-vis, and IR spectroscopy, conductivity measurements, and cyclic voltammetry...
October 19, 2018: Inorganic Chemistry
Hryhoriy Stryhanyuk, Federica Calabrese, Steffen Kümmel, Florin Musat, Hans H Richnow, Niculina Musat
The nanoSIMS-based chemical microscopy has been introduced in biology over a decade ago. The spatial distribution of elements and isotopes analyzed by nanoSIMS can be used to reconstruct images of biological samples with a resolution down to tens of nanometers, and can be also interpreted quantitatively. Currently, a unified approach for calculation of single cell assimilation rates from nanoSIMS-derived changes in isotope ratios is missing. Here we present a comprehensive concept of assimilation rate calculation with a rigorous mathematical model based on quantitative evaluation of nanoSIMS-derived isotope ratios...
2018: Frontiers in Microbiology
L Brustolin, C Nardon, N Pettenuzzo, N Zuin Fantoni, S Quarta, F Chiara, A Gambalunga, A Trevisan, L Marchiò, P Pontisso, D Fregona
In this paper, we focused on the analysis of the effects mediated by different cyclic dithiocarbamic ligands (DTC) on three classes of antiproliferative coordination compounds, namely, Ru(iii) complexes with the general formulae [Ru(DTC)3] and [Ru2(DTC)5]Cl, and the neutral Cu(ii) derivatives of the type [Cu(DTC)2]. In particular, we present the synthesis and characterization of a library of total 23 coordination compounds containing Ru(iii) or Cu(ii) as the biologically-active metal center and two or more dithiocarbamato (DTC) ligands derived from cyclic amines (aliphatic or aromatic)...
October 18, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Ji Rigelesaiyin, Adrian Diaz, Weixuan Li, Liming Xiong, Youping Chen
The stress tensor is described as a symmetric tensor in all classical continuum mechanics theories and in most existing statistical mechanics formulations. In this work, we examine the theoretical origins of the symmetry of the stress tensor and identify the assumptions and misinterpretations that lead to its symmetric property. We then make a direct measurement of the stress tensor in molecular dynamics simulations of four different material systems using the physical definition of stress as force per unit area acting on surface elements...
September 2018: Proceedings. Mathematical, Physical, and Engineering Sciences
Xintong Li, Xiaowen Chu, Xue Wang, Ran Yin, Xiaoxue Zhang, Yangyang Zhao, Aihua Song, Fei Han
A strategy to determine the elemental composition of organic impurities in commercial preparations was established by combining high-performance liquid chromatography (HPLC)-Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) and fraction collector with direct infusion-FT-ICR-MS (DI-FT-ICR-MS). Under HPLC-FT-ICR-MS mode, all impurities in model sample were chromatographically separated and collected by fraction collector according to their retention time. The accurate mass of each impurity and their candidate formulae under 1 ppm mass tolerance were calculated...
December 18, 2018: Analytica Chimica Acta
Qiao Niu
Aluminum is a type of ubiquitously existing naturally and widely used metal in our world. It is combined with other elements and forms different compounds. In different pH and due to other conditions, it can be released into ions of different valence states. Our century is an "aluminum age"; aluminum is used in many fields of our daily life, such as vaccine adjuvant, antacids, food additives, skin care products, cosmetics, and cooking wares, and may be as elements or contaminants appeared in a lot of foods, including infant formulae, milk products, juice, wine, sea foods, and tea...
2018: Advances in Experimental Medicine and Biology
S Uday, S Sakka, J H Davies, T Randell, V Arya, C Brain, M Tighe, J Allgrove, P Arundel, R Pryce, W Högler, N J Shaw
OBJECTIVES: Hypophosphataemic rickets (HR) is usually secondary to renal phosphate wasting but may occur secondary to reduced intake or absorption of phosphate. We describe a series of cases of HR associated with the use of Neocate® , an amino-acid based formula (AAF). METHODS: A retrospective review of cases with HR associated with AAF use presenting to centres across the United Kingdom. RESULTS: 10 cases were identified, over a 9 month period, all associated with Neocate® use...
September 28, 2018: Clinical Nutrition: Official Journal of the European Society of Parenteral and Enteral Nutrition
Marcela Baer Pucci, Viviane Nogaroto, Luiz Antonio Carlos Bertollo, Orlando Moreira-Filho, Marcelo Ricardo Vicari
Available data on cytotaxonomy of the genus Characidium Reinhardt, 1867, which contains the greatest number of species in the Characidiinae (Crenuchidae), with 64 species widely distributed throughout the Neotropical region, were summarized and reviewed. Most Characidium species have uniform diploid chromosome number (2n) = 50 and karyotype with 32 metacentric (m) and 18 submetacentric (sm) chromosomes. The maintenance of the 2n and karyotypic formula in Characidium implies that their genomes did not experience large chromosomal rearrangements during species diversification...
2018: Comparative Cytogenetics
I P Rusinov, P Golub, I Yu Sklyadneva, A Isaeva, T V Menshchikova, P M Echenique, E V Chulkov
Surface electronic spectra, surface and bulk properties as well as the underlying chemical bonding characteristics in topological insulators with complex bonding patterns are considered for the example of cubic, polar intermetallics KNa2Bi, K3Bi and Rb3Bi (with the general formula A3Bi, A - alkali metal). Chemical bonding in A3Bi has a delocalized, polar character as elucidated by the Bader charge analysis in bulk and at the surface, by real-space bonding indicators and by the maximally localized-Wannier-function technique...
October 10, 2018: Physical Chemistry Chemical Physics: PCCP
Hassan Mansouri-Torshizi, Sareh Zareian-Jahromi, Khatereh Abdi, Maryam Saeidifar
Two novel, neutral and water soluble Pd(II) complexes of formula [Pd(Gly)(Ala)] (1) and [Pd(Gly)(Val)] (2) (Gly, Ala, and Val are anionic forms of glycine, alanine, and valine amino acids, respectively) have been synthesized and characterized by FT-IR, UV-Vis, 1 H-NMR, elemental analysis, and molar conductivity measurement. The data revealed that each amino acid binds to Pd(II) through the nitrogen of -NH2 and the oxygen of -COO- groups and acts as a bidentate chelate. These complexes have been assayed against leukemia cells (K562 ) using MTT method...
October 4, 2018: Journal of Biomolecular Structure & Dynamics
Ruoming Fang, Renyi Wu, Qian Zuo, Ran Yin, Chengyue Zhang, Chao Wang, Yue Guo, Anne Yuqing Yang, Wenji Li, Lizhu Lin, Ah-Ng Kong
Qu-Yu-Jie-Du decoction (QYJD) is a commercially available traditional Chinese medicine (TCM). It is an aqueous extract of a Chinese herbal formula primarily consisting of eight TCM herbs: Taraxacum campylodes G.E. Haglund, Coix lacryma-jobi L., Smilax glabra Roxb., Sanguisorba officinalis L, Styphnolobium japonicum (L.) Schott, Prunus persica (L.) Batsch, Sophora flavescens Aiton, and Eupolyphaga sinensis Walker. Matrine and oxymatrine are two of the major phytochemical constituents of QYJD. Inflammation and oxidative stress are strongly associated with colon carcinogenesis...
October 4, 2018: American Journal of Chinese Medicine
Xiue Bao, Song Liu, Ilja Ocket, Zhuangzhuang Liu, Dominique M M-P Schreurs, Bart K J C Nauwelaers
The dielectric spectroscopy measurement is an attractive noninvasive method to reveal the intrinsic information of biological materials and cell cultures. However, the presence of a double layer due to electrode polarization (EP) within the lower RF and microwave range significantly affects the accurate analysis of dielectric properties of ionic liquids. In this work, we measure the broadband dielectric spectroscopy of five saline solutions with a microfluidic coplanar waveguide (CPW) transmission line sensor across the frequency range from 40 kHz to 110 GHz...
October 1, 2018: IEEE Transactions on Nanobioscience
Li-Fang Zhu, Zhi-Cheng Yao, Zeeshan Ahmad, Jing-Song Li, Ming-Wei Chang
Chitosan is an extremely valuable biopolymer and is usually obtained as a byproduct from the shells of crustaceans. In the current work, chitosan is obtained from an herbal source (Ganoderma lucidum spore powder (GLSP)) for the first time. To show this, both standard (thermochemical deacetylation, (TCD)) and emerging (ultrasound-assisted deacetylation (USAD)) methods of chitosan preparation were used. The obtained chitosan was characterized by elemental analysis, XRD (X-ray diffraction), FT-IR (Fourier transform infrared spectroscopy) and thermogravimetric measurements...
October 2, 2018: Scientific Reports
A Morel, S Domaschke, V Urundolil Kumaran, D Alexeev, A Sadeghpour, S N Ramakrishna, S J Ferguson, R M Rossi, E Mazza, A E Ehret, G Fortunato
The development and application of nanofibres requires a thorough understanding of the mechanical properties on a single fibre level including respective modelling tools for precise fibre analysis. This work presents a mechanical and morphological study of poly-L-lactide nanofibres developed by needleless electrospinning. Atomic force microscopy (AFM) and micromechanical testing (MMT) were used to characterise the mechanical response of the fibres within a diameter range of 200 to 1400 nm. Young's moduli E determined by means of both methods are in sound agreement and show a strong increase for thinner fibres below a critical diameter of 800 nm...
September 28, 2018: Acta Biomaterialia
Udomsak Likitmongkolsakul, Pruittikorn Smithmaitrie, Bancha Samruajbenjakun, Juthatip Aksornmuang
Objectives: The aim of this study was to develop and validate three-dimensional (3D) finite element modeling for prediction of orthodontic tooth movement. Materials and Methods: Two orthodontic patients were enrolled in this study. Computed tomography (CT) was captured 2 times. The first time was at T 0 immediately before canine retraction. The second time was at T 4 precisely at 4 months after canine retraction. Alginate impressions were taken at 1 month intervals ( T 0 - T 4 ) and scanned using a digital scanner...
2018: International Journal of Dentistry
Supun Katugampala, Inoka C Perera, Chandrika Nanayakkara, Theshini Perera
Metallotriazine complexes possess interesting biological and medicinal properties, and the present study focuses on the synthesis, characterization, and antimicrobial activity of four novel copper-triazine derivatives in search of potent antibacterial and antifungal drug leads. In this study, 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine-4,4'-disulfonic acid monosodium salt (L1, ferrozine) and 3-(2-pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5,5'-disulfonic acid disodium salt (L2, ferene) have been used as ligands to study the complexation towards copper(II)...
2018: Bioinorganic Chemistry and Applications
Jun Lan, Xiaowei Zhang, Xiaozhou Liu, Yifeng Li
We designed and demonstrated a gradient acoustic metasurface to manipulate the transmissive wavefront. The gradient metasurface is composed of eight elements based on membrane-type hybrid structures, whose thickness and width are about 1/5 and 1/20 of the incident wavelength, respectively. Here, we employ acoustic theory to analyze the transmission spectrum and phase gradient of the metasurface, the properties of high transmission efficiency and discrete phase shifts over the full [Formula: see text] range can be achieved simultaneously...
September 21, 2018: Scientific Reports
Sergey V Streltsov, Valerii V Roizen, Alexey V Ushakov, Artem R Oganov, Daniel I Khomskii
Gold is a very inert element, which forms relatively few compounds. Among them is a unique material-mineral calaverite, [Formula: see text] Besides being the only compound in nature from which one can extract gold on an industrial scale, it is a rare example of a natural mineral with incommensurate crystal structure. Moreover, it is one of few systems based on Au, which become superconducting (at elevated pressure or doped by Pd and Pt). Using ab initio calculations we theoretically explain these unusual phenomena in the picture of negative charge-transfer energy and self-doping, with holes being largely in the Te [Formula: see text] bands...
October 2, 2018: Proceedings of the National Academy of Sciences of the United States of America
Miral V Lunagariya, Khyati P Thakor, Bharat H Pursuwani, Mohan N Patel
Square planar mononuclear platinum(II) complexes having general formula [Pt(Ln )Cl2 ], (where, Ln  = L1-4 ) were synthesized with neutral bidentate heterocyclic 1,3,5-trisubstituted bipyrazole based ligands. The synthesized compounds were characterized by physicochemical method such as TGA, molar conductance, micro-elemental analysis and magnetic moment, and spectroscopic method such as, FT-IR, UV-vis, 1 H NMR, 13 C NMR and mass spectrometry. Biological applications of the compounds were carried out using in vitro brine shrimp lethality bioassay, in vitro antimicrobial study against five different pathogens, and cellular level cytotoxicity against Schizosaccharomyces pombe (S...
September 19, 2018: Nucleosides, Nucleotides & Nucleic Acids
Xabier Martínez de Irujo-Labalde, Esteban Urones-Garrote, Susana García-Martín, Miguel Ángel Alario-Franco
The influence of rare earth (RE) elements on superconducting properties of the transition element (TE)-substituted TE x Cu1- x Sr2 RECu2 O y cuprates has not been sufficiently emphasized so far. In the case of molibdo-cuprates with the general formula Mo0.3 Cu0.3 Sr2 RECu2 O y , all the RE element containing compounds except La, Ce, and Lu can be prepared at room pressure. The influence of the crystal structure on the superconducting properties after ozone oxidation of the present system is reported selecting three groups of RE elements attending to their different atom sizes: small (Yb and Tm), medium (Gd), and big (Nd and Pr)...
October 1, 2018: Inorganic Chemistry
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