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Elemental formula

Malte Sachs, Antti J Karttunen, Florian Kraus
Evolutionary crystal structure prediction methods combined with density functional theory (DFT) calculations reveal a high-pressure (hp) phase of the intermetallic compound UCo crystalizing in the NaTl structure type ([Formula: see text]). We predict this compound to be formed at pressures below 9 GPa. Hp-UCo shows the same structural trends as the two experimentally known pseudo-binary compounds UCo0.2 Rh0.8 and UNi0.8 Pt0.2 . We classify them as ordered solid solutions of a bcc lattice following Vegard's law...
December 5, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Tapan Chatterji, Michaela Zamponi, Joachim Wuttke
We have investigated the ferromagnetic phase transition of elemental Co by high-resolution neutron backscattering spectroscopy. We monitored the splitting of the nuclear levels by the hyperfine field at the Co nucleus. The energy of this hyperfine splitting is identified as the order parameter of the ferromagnetic phase transition. By measuring the temperature dependence of the energy we determined the critical exponent [Formula: see text] and the ferromagnetic Curie temperature of [Formula: see text] K. The present result of the critical exponent agrees better with the predicted value (0...
December 5, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Pei-Yu Chen, Cho-Chiang Shih, Wei-Chen Lin, Teng Ma, Qifa Zhou, K Kirk Shung, Chih-Chung Huang
Estimating the corneal elasticity can provide valuable information for corneal pathologies and treatments. Ophthalmologic pathologies will invariably cause changes to the elasticity of the cornea. For example, keratoconus and the phototoxic effects of ultraviolet radiation usually increase the corneal elasticity. This makes a quantitative estimation of the elasticity of the human cornea important for ophthalmic diagnoses. The present study investigated the use of a proposed high-resolution shear wave imaging (HR-SWI) method based on a dual-element transducer (comprising an 8-MHz element for pushing and a 32-MHz element for imaging) for measuring the group shear wave velocity (GSWV) of the human cornea...
December 3, 2018: Sensors
Li Jia, Lingling Fu, Xiaoyan Wang, Wenzhi Yang, Hongda Wang, Tiantian Zuo, Chunxia Zhang, Ying Hu, Xiumei Gao, Lifeng Han
The analytical platform UHPLC/Q-Orbitrap-MS offers a solution to quality investigation of TCM with high definiteness. Using Erzhi Pill (EZP) as a case, we developed UHPLC/Q-Orbitrap-MS based approaches to achieve systematic multicomponent identification and rapid authentication. Comprehensive multicomponent characterization of EZP was performed by negative/positive switching data-dependent high-energy collision-induced dissociation-MS² (HCD-MS²) after 25 min chromatographic separation. By reference compounds comparison, elemental composition analysis, fragmentation pathways interpretation, and retrieval of an in-house library, 366 compounds were separated and detected from EZP, and 96 thereof were structurally characterized...
November 30, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
John Elson, Steve Eckels
Quantifying the impact of clothing thermal and evaporation resistance is essential to providing representative boundary conditions for physiological modeling. In many models, sweat is assumed to drip off the skin surface to the environment and is not captured in clothing. In high metabolic rate and high temperature and humidity conditions the sweat produced by the body has the potential to saturate semipermeable clothing ensembles, changing the assumptions of the model. Workers, athletes and soldiers commonly wear encapsulating versions of such clothing to protect against environmental hazards...
December 2018: Journal of Thermal Biology
Stephen A Wise, Melissa M Phillips
For over 40 years, food-matrix certified reference materials (CRMs) have been available for determination of trace element content, and a wide variety of materials are available from most producers of CRMs. However, the availability of food-matrix CRMs for organic nutrients has been more limited. The European Commission (EC) Bureau Communautaire de Référence (BCR) and the National Institute of Standards and Technology (NIST) introduced food-matrix CRMs with values assigned for vitamins and other organic nutrients such as fatty acids and carotenoids in the 1990s...
December 1, 2018: Analytical and Bioanalytical Chemistry
Ana L Creo, Lisa M Epp, Julie A Buchholtz, Peter J Tebben
BACKGROUND: Previous studies suggest normal mineral status in children receiving elemental formula. However, a recent multicenter survey described 51 children who developed hypophosphatemia and bone disease while receiving elemental formula. Our aim is to determine the prevalence of metabolic bone disease in children receiving extensively hydrolyzed or amino acid-based formula. METHODS: We established a retrospective cohort using an institutional database of tube-fed children...
November 29, 2018: Hormone Research in Pædiatrics
Andreas M Neophytou, Sadie Costello, Sally Picciotto, Daniel M Brown, Michael D Attfield, Aaron Blair, Jay H Lubin, Patricia A Stewart, Roel Vermeulen, Debra T Silverman, Ellen A Eisen
BACKGROUND: Although general population studies of air pollution suggest that particulate matter - diesel exhaust emissions in particular - is a potential risk factor for cardiovascular disease, direct evidence from occupational cohorts using quantitative metrics of exposure is limited. In this study, we assess counterfactual risk of ischemic heart disease (IHD) mortality under hypothetical scenarios limiting exposure levels of diesel exhaust and of respirable mine/ore dust in the Diesel Exhaust in Miners Study (DEMS) cohort...
November 27, 2018: Epidemiology
E Sultan, A H Gandjbakhche, K Pourrezaei, A S Daryoush
This paper presents a novel method for early detection of hematomas using highly sensitive optical fNIR imaging methods based on broadband photon migration. The NIR experimental measurements of inhomogeneous multi-layer phantoms representing human head are compared to 3D numerical modeling over broadband frequencies of 30-1000 MHz. A finite element method (FEM) simulation of the head phantom are compared to measurements of insertion loss and phase using custom-designed broadband free space optical transmitter (Tx) and receiver (Rx) modules that are developed for photon migration at wavelengths of 670 nm, 795 nm, 850 nm, though results of 670 nm are discussed here...
November 27, 2018: Biomedical Engineering Online
Lenka Malek, Hazel Fowler, Gillian Duffy, Lisa Katzer
OBJECTIVE: Although breast-feeding is the recommended way to feed an infant, a safe and nutritious substitute for breast milk is needed for infants who are not breast-fed. Labelling information on infant formula (IF) products aims to enable caregivers (who have already made the decision to use IF) to make informed product choices. Yet, there is limited data on how caregivers understand and use the information provided on IF packaging. The present study aimed to increase understanding of caregivers' interpretation and use of the following label elements on IF products: the nutrition information statement; the ingredients list; and statements around nutrition content and health claims...
November 27, 2018: Public Health Nutrition
Qiuming Liu, Junjiang Xiao, Bingtong Liu, Yongliang Zhuang, Liping Sun
In this study, melanin (BgM) was obtained from Boletus griseus. The chemical composition and structure of BgM were characterized by UV-visible absorption spectrum, Fourier transform infrared spectrum, elemental analysis, nuclear magnetic resonance, pyrolysis gas chromatography mass spectrometry, and ultra-performance liquid chromatography⁻high resolution mass spectrometry. The percentage contents of C, H, N, S and O elements were 56.38%, 5.86%, 6.17%, 2.44%, and 28.04%, and the S/N and C/N ratios were 0.17 and 10...
November 23, 2018: International Journal of Molecular Sciences
Mari Ángeles Martínez, Irma Castro, Joaquim Rovira, Susana Ares, Juan Miguel Rodríguez, Sara Cristina Cunha, Susana Casal, Jose Oliveira Fernandes, Marta Schuhmacher, Martí Nadal
In the present study, the presence of a wide spectrum of major and trace elements (As, Ag, Al, Ba, Cd, Co, Cr, Cu, Hg, Mn, Ni, Sr, Sb, Se, Sn, Pb, V, and Zn), fatty acids, as well as some pollutants like free and total BPA and tetrabromobisphenol A (TBBPA), was analysed in human milk (n = 53) and infant formula (n = 50) samples. In addition, the infant exposure to these chemicals was assessed. The content of free BPA and several elements (Al, Ca, Cr, Cu, Fe, K, Mg, Mn, Na, Ni, Sn, Sr, and Zn) was higher (p < 0...
November 16, 2018: Environmental Research
Olivier Pujol, Gérard Brogniez
This paper is devoted to Fraunhofer diffraction by hexagonal ice crystals like those that can be encountered in cirrus clouds. Such crystals are important, for they are the basic building elements of crystals of more complex shape. A new alternative based on the Maggi-Rubinowicz transformation is proposed. This technique, whose basic formula is a line integral version of the Kirchhoff integral, is very easy to implement and is not time consuming. Diffraction patterns of hexagonal ice crystals with (i) fixed arbitrary orientation, (ii) random orientation, and (iii) preferred orientation are given...
October 1, 2018: Journal of the Optical Society of America. A, Optics, Image Science, and Vision
Luisa Cescutti-Butler, Ann Hemingway, Jaqui Hewitt-Taylor
OBJECTIVE: This paper reports on one element of a study exploring the experiences of women who are caring for late preterm baby/babies (LPBs) and focuses on their experiences of breastfeeding. DESIGN: As this study aimed to privilege women's experiences, a feminist approach was utilised, with individual qualitative interviews in two phases conducted with a purposefully selected sample of women who were caring for a late preterm baby or babies. Template Analysis linked to Birth Territory Theory (BTT) was used to identify key issues and experiences of women...
November 9, 2018: Midwifery
Hironori Tsunoyama, Minoru Akutsu, Kiichirou Koyasu, Atsushi Nakajima
Binary nanoclusters (NCs) exhibit strong potential as building blocks for tailor-made scientific materials based on the precise tuning of their electron countings and spin states along with the synergistic effects that originate from the constituent elements. Herein, we studied the electronic and geometric structures of transition metal (TM) doped aluminum (Al) Al12 X NCs (X  =  Sc and Ti), which are binary systems that extend from representative superatom [Formula: see text] anions. On the basis of the photoelectron spectroscopy (PES) and density functional theory (DFT) calculations, Al12 X anion and neutral structures are characterized as vertex-replaced icosahedron...
December 12, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Sonisilpa Mohapatra, James C Weisshaar
The revolution in fluorescence microscopy enables sub-diffraction-limit ("superresolution") localization of hundreds or thousands of copies of two differently labeled proteins in the same live cell. In typical experiments, fluorescence from the entire three-dimensional (3D) cell body is projected along the z-axis of the microscope to form a 2D image at the camera plane. For imaging of two different species, here denoted "red" and "green", a significant biological question is the extent to which the red and green spatial distributions are positively correlated, anti-correlated, or uncorrelated...
November 16, 2018: BMC Bioinformatics
Dmitry V Fedorov, Mainak Sadhukhan, Martin Stöhr, Alexandre Tkatchenko
The atomic dipole polarizability α and the van der Waals (vdW) radius R_{vdW} are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently and separately from each other. Here, we derive the quantum-mechanical relation R_{vdW}=const×α^{1/7}, which is markedly different from the common assumption R_{vdW}∝α^{1/3} based on a classical picture of hard-sphere atoms. As shown for 72 chemical elements between hydrogen and uranium, the obtained formula can be used as a unified definition of the vdW radius solely in terms of the atomic polarizability...
November 2, 2018: Physical Review Letters
Jingna Mao, Huazhong Yang, Yong Lian, Bo Zhao
Human body communication (HBC) utilizes human body as the transmission medium to facilitate data communications in a wireless body area network (WBAN). It normally uses a pair of transmitting (Tx) and receiving (Rx) electrodes clinging to the body surface to form a low-loss body channel, so a higher energy efficiency can be achieved in comparison to conventional wireless communications. In HBC, the Tx electrode can be shared with vital sign monitoring electrode, such as ECG electrode or EEG electrode, to inject the signal into body...
July 2018: Conference Proceedings: Annual International Conference of the IEEE Engineering in Medicine and Biology Society
M G Jiang, C Xu, H Yan, S H Lu, T Nakata, C S Lao, R S Chen, S Kamado, E H Han
The trace addition of rare earth (RE) elements in Mg alloys can modify the extrusion texture, leading to the formation of RE texture and thus improved formability. The interrupted extrusion experiment as well as electron back-scatter diffraction (EBSD) characterization was conducted in Mg-1.5Zn-0.5Gd (wt.%) alloy to unveil the dominant dynamic recrystallization (DRX) mechanism and its correlation with the formation of RE texture during extrusion. The results indicate that continuous DRX (CDRX) dominated the microstructural development...
November 14, 2018: Scientific Reports
Kenji Kawashima, Shigeyuki Ishida, Hiroshi Fujihisa, Yoshito Gotoh, Yoshiyuki Yoshida, Hiroshi Eisaki, Hiraku Ogino, Akira Iyo
We synthesized a Fe-based superconductor (FeSC), (La,Na,K)Fe2 As2 , and characterized its superconducting properties. It was found that (La,Na,K)Fe2 As2 has a 122-type (ThCr2 Si2 -type) structure with a space group I4/mmm (No. 139), identical to (Ba,K)Fe2 As2 and (La,Na)Fe2 As2 but distinct from so-called 1144-type FeSCs such as CaKFe4 As4 and (La,Na)CsFe4 As4 . The results demonstrate that the formation of the 1144-type phase necessitates the large ionic radius mismatch among the so-called A-site constituent elements of the AFe2 As2 formula...
November 14, 2018: Scientific Reports
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