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Elemental formula

Fanbo Meng, Jin Huang
Flash sintering is the most promising sintering method because of its high speed and large area of effect. However, current flash sintering processes exhibit poor stability and the conductive pattern surface is highly susceptible to damage during this process. Therefore, a sintering parameter prediction system must be established to optimize sintering parameters for manufacturing. In this study, a photon-sintered nano-silver particle model is proposed for studying the sintering characteristics of metal nanoparticles...
February 14, 2019: Nanomaterials
Marijana Pavlović, Stefan Nikolić, Nevenka Gligorijević, Biljana Dojčinović, Sandra Aranđelović, Sanja Grgurić-Šipka, Siniša Radulović
Three new ruthenium(II)-arene complexes with pyrido[2',3':5,6]pyrazino[2,3-f][1, 10]phenanthroline (ppf) of general formula: C1 ([(ƞ6 -benzene)Ru(ppf)Cl]PF6 , C2 ([(ƞ6 -toluene)Ru(ppf)Cl]PF6 ) and C3 ([(ƞ6 -p-cymene)Ru(ppf)Cl]PF6 ) have been synthesized. The structures of complexes were determined by elemental analysis, IR, ESI-MS, as well as with 1 H and 13 C NMR spectroscopy. Cytotoxic activity has been evaluated in three different human neoplastic cell lines (A549, A375, LS 174T) and in one human non-tumor cell line (MRC-5), by the MTT assay...
February 14, 2019: Journal of Biological Inorganic Chemistry: JBIC
Mona Eini Roumiani, Niloufar Dorosti
The dandelion-shaped nanostructure of an organotin complex with formula Sn(CH3 )2 Cl2 }NC5 H4 C(O)NHP(O)[NHC6 H11 ]2 }2 (C1 ) was synthesized by means of a sonochemical method. Nano-structures were characterized by elemental analysis, NMR, SEM-EDS, XRD, UV-Vis, and FT-IR spectroscopy. The thermal stability of the complex C1 has been studied by thermal gravimetric analysis (TGA), and compared to the bulk form (C2 ). Both the morphology and the size of the ultrasound-assisted synthesized organotin complex have been investigated using scanning electron microscopy (SEM) by changing such parameters as the concentration of initial reactants and the sonication frequency...
January 23, 2019: Ultrasonics Sonochemistry
D Dante Yeh, Luis Alfonso Ortiz, Jae Moo Lee, Jeffrey Chan, Katherine McKenzie, Brian Young, Lindsay Chetelat, Bryan Collier, Andrew Benson, Daren K Heyland
BACKGROUND: The Enhanced Protein-Energy Provision via the Enteral Route Feeding Protocol (PEP uP) has been shown to be feasible, safe, and effective in delivering significantly more energy/protein, though it has not been well studied in surgical/trauma patients. We hypothesized that PEP uP will effectively increase energy/protein delivery to critically ill surgical/trauma patients. METHODS: This multicenter, prospective, randomized pilot study included adult patients admitted to surgical service who were expected to require mechanical ventilation for >24 hours and intensive care unit (ICU) care for >72 hours...
February 11, 2019: JPEN. Journal of Parenteral and Enteral Nutrition
Jessica Ramsay, Jacob Morton, Marie Norris, Shibani Kanungo
Organic acids (OAs) are intermediary products of several amino acid catabolism or degradation via multiple biochemical pathways for energy production. Vitamins or co-factors are often quintessential elements in such degradation pathways and OA metabolism. OAs that result from enzyme defects in these pathways can be identified in body fluids utilizing gas chromatography-mass spectrometry techniques (GC/MS). OAs are silent contributor to acid base imbalance and can affect nitrogen balance and recycling. Since OA production occurs in distal steps of a specific amino acid catabolism, offending amino acid accumulation is not characteristic...
December 2018: Annals of Translational Medicine
Jenny Nelson, Lawrence Pacquette, Shuofei Dong, Michiko Yamanaka
Background: A fast and sensitive method for the simultaneous analysis of iodine and bromine species in infant formula was developed using HPLC-inductively coupled plasma-MS (HPLC-ICP-MS). Method: To determine the four halogen species [iodide (I- ), iodate <inline-formula><mml:math display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">IO</mml:mi></mml:mrow><mml:mn>3</mml:mn><mml:mo>-</mml:mo></mml:msubsup></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, bromide (Br- ), and bromate <inline-formula><mml:math display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">BrO</mml:mi></mml:mrow><mml:mn>3</mml:mn><mml:mo>-</mml:mo></mml:msubsup></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>] in a milk-based Standard Reference Material and four commercially available infant formula products...
February 8, 2019: Journal of AOAC International
Xuefei Li, Tina Gruosso, Dongmei Zuo, Atilla Omeroglu, Sarkis Meterissian, Marie-Christine Guiot, Adam Salazar, Morag Park, Herbert Levine
Infiltration of [Formula: see text] T lymphocytes into solid tumors is associated with good prognosis in various types of cancer, including triple-negative breast cancer (TNBC). However, the mechanisms underlying different infiltration levels are largely unknown. Here, we have characterized the spatial profile of [Formula: see text] T cells around tumor cell clusters (tightly connected tumor cells) in the core and margin regions in TNBC patient samples. We found that in some patients, the [Formula: see text] T cell density first decreases when moving in from the boundary of the tumor cell clusters and then rises again when approaching the center...
February 7, 2019: Proceedings of the National Academy of Sciences of the United States of America
Hiroshi Nakatsuji, Hiroyuki Nakashima
The chemical formula theory (CFT) proposed in Paper I of this series [H. Nakatsuji et al., J. Chem. Phys. 149, 114105 (2018)] is a simple variational electronic structure theory for atoms and molecules. The CFT constructs simple, conceptually useful wave functions for the ground and excited states, simultaneously, from the ground and excited states of the constituent atoms, reflecting the spirits of the chemical formulas. The CFT wave functions are also designed to be used as the initial wave functions of the free complement (FC) theory, that is, the exact theory producing the exact wave functions of the Schrödinger accuracy...
January 28, 2019: Journal of Chemical Physics
Yu-Hang Tang, Wibe A de Jong
Data-driven prediction of molecular properties presents unique challenges to the design of machine learning methods concerning data structure/dimensionality, symmetry adaption, and confidence management. In this paper, we present a kernel-based pipeline that can learn and predict the atomization energy of molecules with high accuracy. The framework employs Gaussian process regression to perform predictions based on the similarity between molecules, which is computed using the marginalized graph kernel. To apply the marginalized graph kernel, a spatial adjacency rule is first employed to convert molecules into graphs whose vertices and edges are labeled by elements and interatomic distances, respectively...
January 28, 2019: Journal of Chemical Physics
M Mihaila, D Ursutiu, I Sandu
Two 1/f noise peaks were found in a carbon soot resistor at voltages characteristic of Kohn anomalies in graphite. The ratio of the electron-phonon coupling matrix elements at the anomalies calculated from the noise peak intensities is the same as the one obtained from the Raman frequencies. This demonstrates that the electron-phonon coupling is the microscopic source of 1/f noise in carbon soot. A new, very general formula was deduced for the frequency exponent, wherein nonlinearity and dispersion are the only ingredients...
January 30, 2019: Scientific Reports
Rahin Sifat, Jeremiah C Beam, Andrew P Grosvenor
Oxide materials that adopt the garnet-type structure (X3 A2 B3 O12 ) have received attention for a wide variety of applications, one of which is as potential wasteforms for the sequestration of radioactive actinide elements. The actinides are able to be accommodated in the eight-coordinate X site of the garnet structure. This study focuses on the investigation of Ce substitution into the X site as a surrogate for Pu because of their similar chemical properties. This is accomplished through analysis of the Y3- z Ce z AlFe4 O12 (0...
January 30, 2019: Inorganic Chemistry
Hairen Wang, Mingzhu Zhang, Yingxi Zuo, Xianzhong Zheng
In this paper, an elastic mode method of deformable mirror is proposed to decompose arbitrary wave-front errors of adaptive optics system. The elastic modes are derived with an analytical method of linear piezoelectricity based on a bimorph piezoelectric deformable mirror (BPDM), and the three-dimensional formulas of elastic modes are presented. Here a BPDM with an aperture of 165 mm as an example is numerically studied. Two different kinds of dynamic boundary conditions are considered, and the dependence of the elastic modes aberrations upon the orders and rotational symmetries is evaluated...
January 21, 2019: Optics Express
Pritsana Sawutdeechaikul, Felipe Cia, Gregory J Bancroft, Supason Wanichwecharungruang, Chutamath Sittplangkoon, Tanapat Palaga
Subunit vaccine is safe and more stable than live vaccine but it has disadvantage in eliciting poor immune response. To develop a subunit vaccine, an effective delivery system targeting the key elements of the protective immune response is a prerequisite. In this study, oxidized carbon nanosphere (OCN) was used as a subunit vaccine delivery system and tuberculosis (TB) was chosen as a model disease. TB is among the deadliest infectious diseases worldwide and an effective vaccine is urgently needed. The ability of OCN to deliver recombinant Mycobacterium tuberculosis (Mtb) proteins, Ag85B and HspX, into bone marrow derived macrophages (BMDMs) and dendritic cells (BMDCs) were investigated...
January 29, 2019: Journal of Microbiology and Biotechnology
A V Shurygin, V I Vovna, V V Korochentsev, A G Mirochnik, I V Kalinovskaya, V I Sergienko
Adducts of tris-nitrates of rare-earth elements Ce(III), Nd(III), Eu(III), and Er(III) with two molecules of 1,10-phenanthroline with formula Ln(NO3 )3 (Phen)2 are studied by X-ray photoelectron spectroscopy (XPS) and quantum chemistry (DFT/TDDFT). The geometric structure for DFT modeling is build using X-ray diffraction data. To analyze the composition and differences of the electronic structure in the series under study, XPS spectra were obtained for which interpretation was performed using calculated data...
January 19, 2019: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Gabriel H Ribeiro, Legna Colina-Vegas, Juan C T Clavijo, Javier Ellena, Marcia R Cominetti, Alzir A Batista
The rational design of anticancer agents that acts in specific biological targets is one of the most effective strategies for developing chemotherapeutic agents. Aiming at obtaining new ruthenium (II) compounds with good cytotoxicity against tumor cells, a series of new complexes of general formula [RuCl(PPh3 )(Hdpa)(NN)]Cl [PPh3  = triphenylphosphine, N-N = 2,2'-dipyridylamine (Hdpa) (1), 1,2-diaminoethane (en) (2), 2,2'-bipyridine (bipy) (3), 5,5'-dimethyl-2,2'-bipyridine (dmbipy) (4), 1,10-phenanthroline (phen) (5) and 4,7-diphenyl-1,10-phenanthroline (dphphen) (6)] were synthesized...
January 18, 2019: Journal of Inorganic Biochemistry
Liliana Valdez Jiménez, Jaqueline Calderón Hernández, Rosa Isela Córdova Atilano, Selene Yasmín Sandoval Aguilar, Jorge Alejandro Alegría Torres, Rogelio Costilla Salazar, Diana Rocha Amador
INTRODUCTION: Several studies have shown the presence of fluorosis (DF) in primary dentition, suggesting an exposure to fluorides (F- ) in early childhood. Breast milk is recommended as an exclusive food until 6 months of age. Although it is mentioned that only a small amount of F- can be eliminated by breast milk, studies have shown the presence of this element in milk of women living in contaminated areas, as well as in infant formulas. The objective of this project was to evaluate the exposure level to F- through milk in children living in an area with endemic hydrofluorosis...
January 16, 2019: Anales de Pediatría: Publicación Oficial de la Asociación Española de Pediatría (A.E.P.)
Marwa Mahmoud, Enas Abdel-Salam, Mahmoud Abou-Elmagd, Shehab Sallam
Schiff-bases of metformin with each of salicylaldehyde (HL1 ); 2,3-dihydroxybenzaldehyde (H2 L2 ); 2,4-dihydroxybenzaldehyde (H2 L3 ); 2,5-dihydroxybenzaldehyde (H2 L4 ); 3,4-dihydroxybenzaldehyde (H2 L5 ) and 2-hydroxynaphthaldehyde (HL6 ) and their complexes with Pr(III) were synthesized by template reaction. The complexes were characterized through elemental analysis, conductivity and magnetic moment measurements, IR, UV-Vis., fluorescence, GC-MS and XRD spectroscopy. The complexes exhibit a series of characteristic emission bands for Pr3+ ion in the 481-472 and 590-580 nm range with a 318-332 nm excitation source...
January 16, 2019: Journal of Fluorescence
A E Martirosyan, R B Kostanyan, P H Muzhikyan, H H Azizbekyan
In this paper, we propose a novel approach, to the best of our knowledge, for optical monitoring of integral properties of arbitrarily distributed substances by means of a specially designed optical element radially quadratic transmittance-apodizing filter. The developed remote sensing method deals with nonmatrix detectors and requires only one-step conversion of light energy into an electrical signal to investigate the substance under study. Due to the fact that detectors work in the linear sensitivity range, the nonlinear uncertainty of measurements is minimal...
December 1, 2018: Applied Optics
Weiguang Yang, Melody Dong, Marlene Rabinovitch, Frandics P Chan, Alison L Marsden, Jeffrey A Feinstein
Pulmonary arterial hypertension (PAH) is characterized by pulmonary vascular remodeling resulting in right ventricular (RV) dysfunction and ultimately RV failure. Mechanical stimuli acting on the vessel walls of the full pulmonary tree have not previously been comprehensively characterized. The goal of this study is to characterize wall shear stress (WSS) and strain in pediatric PAH patients at different stages of disease severity using computational patient-specific modeling. Computed tomography, magnetic resonance imaging and right heart catheterization data were collected and assimilated into pulmonary artery (PA) models for patients with and without PAH...
January 12, 2019: Biomechanics and Modeling in Mechanobiology
Andrea Silvestri, Maria Laura Ligabue, Gianluca Malavasi, Gigliola Lusvardi
The phosphors of formula Ba₅Si₈O21 :Eu2+ ,Dy3+ were synthesized and studied in order to improve their properties. Their synthesis conditions were evaluated as a function of precursors, crucible composition, flux agents, dopants and temperatures. The samples were characterised by means of a systematic investigation through elemental, kinetic, mineralogical (both qualitative and quantitative), and morphological analysis. This study allows for a careful evaluation of the parameters that influence the formation and properties of Ba₅Si₈O21 :Eu2+ ,Dy3+ phosphors...
January 7, 2019: Materials
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