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Formulas for calculation

Shaofeng Wang, Xu Ma, Guoqing Zhang, Yongfeng Jia, Keisuke Hatada
Hydrous ferric arsenate (HFA) is an important arsenic-bearing precipitate in the mining-impacted environment and hydrometallurgical tailings. However, there is no agreement on its local atomic structure. The local structure of HFA was re-probed by employing a full-potential multiple scattering (FPMS) analysis, density functional theory (DFT) calculations, and vibrational spectroscopy. The FPMS simulations indicated that the coordination number of the As-Fe and/or Fe-As in HFA was approximately two. The DFT calculations constructed a structure of HFA with the formula of Fe(HAsO4)x(H2AsO4)1-x(OH)y•zH2O...
October 24, 2016: Environmental Science & Technology
Alexey Kamenskiy, Andreas Seas, Paul Deegan, William Poulson, Eric Anttila, Sylvie Sim, Anastasia Desyatova, Jason MacTaggart
Femoropopliteal artery (FPA) mechanics play a paramount role in pathophysiology and the artery's response to therapeutic interventions, but data on FPA mechanical properties are scarce. Our goal was to characterize human FPAs over a wide population to derive a constitutive description of FPA aging to be used for computational modeling. Fresh human FPA specimens ([Formula: see text]) were obtained from [Formula: see text] predominantly male (80 %) donors 54±15 years old (range 13-82 years). Morphometric characteristics including radius, wall thickness, opening angle, and longitudinal pre-stretch were recorded...
October 22, 2016: Biomechanics and Modeling in Mechanobiology
Yong-Jun Ye, Xin-Tao Dai, De-Xin Ding, Ya-Li Zhao
In this study, a one-dimensional steady-state mathematical model of radon transport in fragmented uranium ore was established according to Fick's law and radon transfer theory in an air-water interface. The model was utilized to obtain an analytical solution for radon concentration in the air-water, two-phase system under steady state conditions, as well as a corresponding radon exhalation rate calculation formula. We also designed a one-dimensional experimental apparatus for simulating radon diffusion migration in the uranium ore with various water levels to verify the mathematical model...
October 19, 2016: Journal of Environmental Radioactivity
Sabrina Stocker, Florian Foschum, Philipp Krauter, Florian Bergmann, Ansgar Hohmann, Claudia Scalfi Happ, Alwin Kienle
Dairy products play an important role in our daily nutrition. As a turbid scattering medium with different kinds of particles and droplets, each alteration of these components changes the scattering properties of milk. The goal of this work is the determination of the amount of main scattering components, the fat droplets and the casein micelles, by understanding the light propagation in homogenized milk and in raw milk. To provide the absolute impact of these milk components, the geometrical and optical properties such as the size distribution and the refractive index (RI) of the components have to be examined...
October 21, 2016: Applied Spectroscopy
So Goto, Naoyuki Maeda, Shizuka Koh, Kazuhiko Ohnuma, Kenichi Hayashi, Ikko Iehisa, Toru Noda, Kohji Nishida
PURPOSE: To evaluate the accuracy of a new formula for predicting postoperative anterior chamber depth (ACD) with preoperative angle-to-angle (ATA) depth using anterior segment (AS) optical coherence tomography (OCT) and to compare it with established methods. DESIGN: Retrospective consecutive case series. PARTICIPANTS: Three hundred four eyes (276 patients) implanted with acrylic intraocular lenses (IOLs) were divided randomly into a training set (152 eyes) and a validation set (152 eyes)...
October 18, 2016: Ophthalmology
Ying Wang, Shaoyan Si, Junli Liu, Zongye Wang, Haiying Jia, Kai Feng, Lili Sun, Shu Jun Song
AIMS: Vitamin D deficiency has been associated with some disorders including cardiovascular diseases. Dyslipidemia is a major risk factor for cardiovascular diseases. However, data about the relationships between vitamin D and lipids are inconsistent. The relationship of vitamin D and Atherogenic Index of Plasma (AIP), as an excellent predictor of level of small and dense LDL, has not been reported. The objective of this study was to investigate the effects of vitamin D status on serum lipids in Chinese adults...
2016: PloS One
Taner Basturk, Ozlem Sari, Yener Koc, Nezaket Eren, Mahmoud Isleem, Ekrem Kara, Mustafa Sevinc, Tamer Sakaci, Elbis Ahbap, Nuri B Hasbal, Feyza B Caglayan, Abdulkadir Unsal
BACKGROUND: Neutrophilgelatinase-associated lipocalin (NGAL) has been proven to be a useful biomarker for early detection of acute kidney injury, but it is not known whether adding NGAL measurements to conventional risk factors will improve the risk assessment in the setting of chronic kidney disease (CKD). The aim of the present study was to examine the correlation of NGAL with early stage renal impairment in CKD and to evaluate its prognostic value in these subjects. METHODS: This is a prospective observational cohort study of 54 patients with early stage (stage 1-2) CKD...
October 21, 2016: Minerva Urologica e Nefrologica, the Italian Journal of Urology and Nephrology
Debojit Bhattacharya, Suranjan Shil, Anirban Misra, Laimutis Bytautas, Douglas J Klein
Here we study a set of novel magnetic organic molecular species with different halide ions (fluoride, chloride, bromide) absorbed ~2Å above or below the center of an aromatic π-ring in an m-aminyl diradical. Focus is on the nature of anion-π interaction and its impact on magnetic properties, specifically on magnetic anisotropy and on intramolecular magnetic exchange coupling. In the development of single molecule magnets, magnetic anisotropy is considered to be the most influential factor. A new insight regarding the magnetic anisotropy which determines the barrier height for relaxation of magnetization of m-aminyl diradical-derived anionic complexes is obtained from calculations of the axial Zero-Field-Splitting (ZFS) parameter D...
October 20, 2016: Journal of Physical Chemistry. A
Xing Ke, Jingshun Zhang, Shiyun Lai, Qi Chen, Yu Zhang, Yirong Jiang, Weimin Mo, Yiping Ren
The aim of the study was to develop a method for quantification of cow's whey and whole milk powder in goat or sheep milk products including infant formula. A ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) method was established for simultaneous quantification of four caseins and two major whey proteins by detecting their signature peptides, which were able to act as markers for differentiating goat or sheep from cow whey and whole milk powder in infant formulas. The signature peptides were screened based on the computational prediction by Biolynx software, and confirmed by database searching after analysis of liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry (LC-Q-TOF-MS)...
October 19, 2016: Analytical and Bioanalytical Chemistry
C H Dai, L N Gan, W U Qin, C Zi, G Q Zhu, S L Wu, W B Bao
An efficient and accurate method to test Escherichia coli (E. coli) adhesion to intestinal epithelial cells will contribute to the study of bacterial pathogenesis and the function of genes that encode receptors related to adhesion. This study used the quantitative real-time polymerase chain reaction (qPCR) method. qPCR primers were designed from the PILIN gene of E. coli F18ab, F18ac, and K88ac, and the pig β-ACTIN gene. Total deoxyribonucleic acid (DNA) from E. coli and intestinal epithelial cells (IPEC-J2 cells) were used as templates for qPCR...
September 1, 2016: Polish Journal of Veterinary Sciences
L J P Xavier, D R da Costa, A Chaves, J M Pereira, G A Farias
We investigate localized states of a quantum ring confinement in monolayer graphene defined by a circular mass-related potential, which can be induced e.g. by interaction with a substrate that breaks the sublattice symmetry, where a circular line defect provides a change in the sign of the induced mass term along the radial direction. Electronic properties are calculated analytically within the Dirac-Weyl approximation in the presence of an external magnetic field. Analytical results are also compared with those obtained by the tight-binding approach...
October 19, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Bruce Budowle, Christina Capt, Ranajit Chakraborty, Jianye Ge
In a criminal paternity case, which involved analysis of the product of conception, a rare circumstance was observed. The product of conception was triploidy, apparently due to an egg fertilized by two sperm. Since there is little guidance on how to calculate the probability of the DNA evidence given some basic hypotheses, the formulae were derived and are presented herein. These approaches could provide guidance for similar situations if they arise.
October 18, 2016: International Journal of Legal Medicine
Guangpu Zhu, Jun Yao, Lei Zhang, Hai Sun, Aifen Li
A large amount of residual oil, which exists as isolated oil slugs, remains trapped in reservoirs after water flooding. Numerous numerical studies are performed to investigate the fundamental flow mechanism of oil slugs to improve flooding efficiency. Dynamic contact angle models are usually introduced to simulate an accurate contact angle and meniscus displacement of oil slug under a high capillary number. Nevertheless, in the oil slug flow simulation process, it is unnecessary to introduce the dynamic contact angle model due to a negligible change of meniscus displacement after using the dynamic contact angle model when the capillary number is small...
October 18, 2016: Langmuir: the ACS Journal of Surfaces and Colloids
Lu Yin, Xinhua Zhang, Xingyu Wang, Yang Wang, Jian Bo, Wei Li
OBJECTIVE: To evaluate the association of systolic blood pressure (SBP) and diastolic blood pressure (DBP) with ratio for urinary sodium versus potassium in a large prospective urban and rural epidemiological study in China (PURE-China). DESIGN AND METHOD: As the important part of global multi-center PURE study, a prospective cohort study was conducted to recruit 46,285 participants in urban and rural area of 12 provinces in China between 2005 and 2009. A single fasting morning urine specimen was collected to test sodium and potassium excretion, and the Kawasaki formula was used to estimate 24-hour urinary sodium and potassium excretion...
September 2016: Journal of Hypertension
Cori R Atlin, Christoph Haller, Osami Honjo, Anusha Jegatheeswaran, Glen S Van Arsdell
BACKGROUND: Size mismatch between body and a systemic-to-pulmonary shunt can result in excessive pulmonary blood flow, compromising systemic oxygen delivery. Previously reported techniques to mechanically restrict shunt flow lack precision and reproducibility. We developed a formula for shunt banding and assessed its efficacy and reproducibility by in vitro and clinical measurements. METHODS: Formulas to determine diameter reduction, length of banding, and effect on the ratio of pulmonary blood flow (Qp) to systemic blood flow (Qs) were established...
November 2016: Journal of Thoracic and Cardiovascular Surgery
Kaito Miyamoto, Thomas F Miller, Frederick R Manby
We introduce Fock-corrected density-functional theory (FCDFT), a semi-empirical minimal-basis method part way between density-functional tight binding (DFTB) and DFT. FCDFT contains DFTB-like Fock-matrix contributions calculated using simple pairwise formulae and Slater-Koster transformations. But it also contains the full Kohn-Sham treatment of Coulombic electrostatics. The resulting method is better suited than either minimal-basis DFT or DFTB for modelling the low-level subsystem in embedded mean-field theory (EMFT), improving over the former by correcting for basis-set incompleteness, and over the latter by properly accounting for electrostatics...
October 17, 2016: Journal of Chemical Theory and Computation
Claudia E Perez-Straziota, J Bradley Randleman
PURPOSE OF REVIEW: This article describes different strategies for corneal measurements and/or intraocular lens (IOL) calculations and proposes a systematic approach for IOL selection in patients who have undergone laser corneal refractive surgery. RECENT FINDINGS: Corneal measurements and IOL calculations cannot be obtained accurately with the standard measuring technologies and formulas in patients with history of laser corneal refractive surgery; therefore a variety of methods and formulas, some of which required prerefractive surgery data, have been proposed to improve the accuracy of measurements and calculations...
September 29, 2016: Current Opinion in Ophthalmology
Hani Ibrahim Taman, Ahmed Mohamed Farid, Waleed Mohamed Abdelghaffar
BACKGROUND: Lumbar puncture is a difficult medical skill and is used for administering subarachnoid anesthetic medications. Estimation of skin to subarachnoid space depth (SSD) helps to reduce post spinal anesthetic complications. AIMS: To measure the SDD in overall Egyptian population and to find a formula for predicting SSD in Egyptian patients. SETTINGS AND DESIGN: Four hundred patients of American Society of Anesthesiologist class I and II adult Egyptian patients undergoing surgery using spinal anesthesia in general and obstetric surgery unit, Mansoura University main hospital, were included in this prospective, observational study...
September 2016: Anesthesia, Essays and Researches
Ranjana Khetarpal, Veena Chatrath, Jagjit Kaur, Anju Bala, Harjeet Singh
BACKGROUND: Intravenous (IV) fluids are an integral part of perioperative management. Intraoperative hyperglycemia is associated with poor clinical outcomes in patients undergoing major surgeries even in nondiabetics. AIM: This study was conducted to observe the effect of different maintenance fluid regimens on intraoperative blood glucose levels in nondiabetic patients undergoing major surgeries under general anesthesia. SETTINGS AND DESIGN: Randomized double-blind study...
September 2016: Anesthesia, Essays and Researches
Mazen Abuzayed, Nourhan El-Dabba, Anne Frary, Sami Doganlar
Gene diversity (GD), also called polymorphism information content, is a commonly used measure of molecular marker polymorphism. Calculation of GD for dominant markers such as AFLP, RAPD, and multilocus SSRs is valuable for researchers. To meet this need, we developed a free online computer program, GDdom, which provides easy, quick, and accurate calculation of dominant marker GD with a commonly used formula. Results are presented in tabular form for quick interpretation.
October 14, 2016: Biochemical Genetics
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