bluuebunny/crossref_metadata_2025_split huggingface dataset:
Li‐ion conductivity in PEO‐graphene oxide nanocomposite polymer electrolytes: A study on effect of the counter anion
Authors: Mohanta Jagdeep , Padhi Deepak K. , Si Satyabrata 
Published: February 2018

ABSTRACTGraphene oxide (GO) has been prepared by modified Hummer's method for their incorporation as nanofiller in designing nanocomposite polymer electrolytes (NCPEs). Prior to use the GO nanofillers has been characterized by TEM, FTIR, and Raman studies to elucidate their nanostructure, functionality, and purity. The various poly(ethylene oxide) (PEO)‐based NCPEs has been prepared by incorporating GO nanofillers in presence of three different lithium salts, viz., CF3SO3Li, LiTFSI, and LiNO3 as the source of Li‐ions and then casted into free standing polymeric films. The change in PEO crystallinity has been studied considering their full width half maximum values of respective diffraction peaks in the XRD spectra. The Li‐ion conductivity of various NCPEs has been studied from impedance spectroscopy. All the NCPE films show optimum value of Li‐ion conductivity with 0.3% GO nanofiller content irrespective of the source of Li‐ions used. But, variation of the Li‐ion conductivity values is occurred for all the three studied lithium salts. Both LiTFSI and LiNO3 salts display Li‐ion conductivity in the order of 10−4 S cm−1 whereas CF3SO3Li in the order of 10−6 S cm−1, all in presence of 0.3% GO nanofillers. The change in conductivity values of the NCPEs has been explained by correlating with Argand plots and also with change in PEO crystallinity, which occurs due to various relaxation processes. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46336.
Young's Modulus and Load Complexity: Modeling Their Effects on Proximal Femur Strain
Authors: Sylvester Adam D. , Kramer Patricia A. 
Published: February 2018

ABSTRACTFinite element analysis (FEA) is a powerful tool for evaluating questions of functional morphology, but the application of FEA to extant or extinct creatures is a non‐trivial task. Three categories of input data are needed to appropriately implement FEA: geometry, material properties, and boundary conditions. Geometric data are relatively easily obtained from imaging techniques, but often material properties and boundary conditions must be estimated. Here we conduct sensitivity analyses of the effect of the choice of Young's Modulus for elements representing trabecular bone and muscle loading complexity on the proximal femur using a finite element mesh of a modern human femur. We found that finite element meshes that used a Young's Modulus between 500 and 1,500 MPa best matched experimental strains. Loading scenarios that approximated the insertion sites of hip musculature produced strain patterns in the region of the greater trochanter that were different from scenarios that grouped muscle forces to the superior greater trochanter, with changes in strain values of 40% or more for 20% of elements. The femoral head, neck, and proximal shaft were less affected (e.g. approximately 50% of elements changed by 10% or less) by changes in the location of application of muscle forces. From our sensitivity analysis, we recommend the use of a Young's Modulus for the trabecular elements of 1,000 MPa for the proximal femur (range 500–1,500 MPa) and that the muscular loading complexity be dependent on whether or not strains in the greater trochanter are the focus of the analytical question. Anat Rec, 301:1189–1202, 2018. © 2018 Wiley Periodicals, Inc.
Techno‐economic comparison of biogas cleaning for grid injection, compressed natural gas, and biogas‐to‐methanol conversion technologies
Authors: Sheets Johnathon P. , Shah Ajay 
Published: February 2018

AbstractTechnologies to upgrade biogas to value‐added products have great potential to reduce greenhouse gas emissions and provide economic benefits. However, the costs of conventional upgrading methods, such as purification for natural gas grid injection or compressed natural gas (bio‐CNG), have not been compared to the thermochemical or biological conversion of biogas to methanol. This study compared the techno‐economic feasibility of upgrading biogas from a large‐scale landfill or anaerobic digestion (AD) facility (5900 Nm3/h) to: 1) purified biogas (>97% CH4) for grid injection; 2) bio‐CNG; 3) methanol via thermochemical conversion; and 4) methanol via biological conversion using methanotrophs (methane‐oxidizing bacteria). Bio‐CNG had the highest net present value (NPV) ($43 million), followed by purified biogas ($80 000), biological methanol production (−$303 million), and thermochemical methanol production (−$358 million). Methanol costs were slightly lower for thermochemical conversion ($2.11/kg methanol, 1.99/kg after credits) compared to biological conversion ($2.24/kg methanol, $2.19/kg after credits) because the thermochemical technology had higher methanol production rates. Sensitivity analysis indicated that biological conversion costs can be lowered if methanotrophs are modified to have higher CH4 oxidation rates and higher tolerance to methanol, and if formate costs are reduced. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
A quantitative LC/MSMS method for determination of edoxaban, a Xa inhibitor and its pharmacokinetic application in patients after total knee arthroplasty
Authors: Hanada Kazuhiko , Matsumoto Shin‐ichi , Shibata Soichi , Matsubara Hajime , Tsukimura Yasunori , Takahashi Harumi 
Published: February 2018

AbstractEdoxaban was extracted from human plasma by simple protein precipitation with acetonitrile, followed by quantitative determination using a liquid chromatography–mass spectrometry method. The recoveries of edoxaban and the internal standard (ticlopidine) from human plasma were >85%, and the within‐ and between‐day coefficients of variation were within 15%. The limit of quantification in human plasma was 1 ng/mL. The concentration of edoxaban in blood decreased at room temperature, but remained unchanged for 1 week at 4°C. On the other hand, the concentration in plasma at both −20 and −80°C remained unchanged for 5 months. These results indicated that blood samples should be centrifuged immediately or stored at 4°C, and that plasma samples should be stored below −20°C until analysis. This method was applied to human plasma obtained from four patients after total knee arthroplasty. Analysis of edoxaban pharmacokinetics demonstrated an absorption time lag of 4h, a maximum concentration of 110 ± 26 ng/mL and an oral clearance of 37 ± 16 L/h. The analytical methods established in this study will be suitable for determining the concentrations of edoxaban in human plasma.
PostOperative ST‐segment elevation: not a blocked coronary artery, then what?
Authors: Sin Wai‐Ching , Kwong Joy Melody , Wong Tiffany Cho‐Lam , Kwong Charlotte , Chan Carmen , Siu Chung‐Wah 
Published: February 2018

Key Clinical MessageST‐segment elevation is well known for its diagnostic value for transmural myocardial infarction due to acute thrombotic occlusion of a coronary artery, and often requires emergency reperfusion therapy. However, ST segment is by no means pathognomonic for acute coronary events. Here, we report a case of ST‐segment elevation after hepatectomy secondary to an unusual etiology.
Resolution via Diastereomeric Salt Crystallization of Ibuprofen Lysine: Ternary Phase Diagram Studies
Authors: Simon Melba , Donnellan Philip , Glennon Brian , Jones Roderick C. 
Published: February 2018

AbstractNumerous pharmaceutical ingredients are chiral and generally only one isomer shows the desired therapeutic activity. Therefore, enantioseparation, e.g., by crystallization, is a key step in the pharmaceutical industry. In this work, ternary phase diagrams of the diastereomeric salt formation of ibuprofen lysine in aqueous ethanol are generated. The solubilities of the formed diastereomeric salts are measured in a defined temperature range. Investigation of the X‐ray powder diffraction patterns confirmed ibuprofen lysine as a simple eutectic system in agreement to the previously reported observations. The metastable zone widths of diastereomeric salt pairs of ibuprofen lysine are discussed with a resolution procedure proposed using the phase diagram that achieves maximum possible yield.
Oxygen Reduction Activity and Reversible Deactivation of Single Silver Nanoparticles during Particle Adsorption Events
Authors: Öhl Denis , Clausmeyer Jan , Barwe Stefan , Botz Alexander , Schuhmann Wolfgang 
Published: February 2018

AbstractThe activity towards the oxygen reduction reaction (ORR) of single silver nanoparticles (AgNP) was quantified by using AgNP impacts on dual‐bore carbon nanoelectrodes in highly alkaline media. We found suitable conditions for the particles to adhere sufficiently stably for detailed electrochemical characterization of a single particle. The special electrode design opens the possibility to dose gaseous oxygen to the nanoparticle under study. Deactivation of the catalytic activity of the AgNP upon excessive exposure to oxygen as well as the recovery of catalytic activity under reducing conditions is presumably attributed to hydrogen evolution at the applied low potentials. The proposed approach allows mechanistic parameters for the ORR to be extracted at a single AgNP in highly alkaline media in the absence of any binder materials and under exclusion of averaging ensemble effects.
Electron‐Catalyzed Coupling of Magnesium Amides with Aryl Iodides
Authors: Kiriyama Kazuya , Okura Keisho , Tamakuni Fumiko , Shirakawa Eiji 
Published: February 2018

AbstractAn electron was found to catalyze the coupling of magnesium diarylamides with aryl iodides giving triarylamines through a radical‐anion intermediate. The transformation requires no transition metal catalysts or additives, and a wide array of products are formed in good‐to‐excellent yields.
Anisotropic Thermal and Guest‐Induced Responses of an Ultramicroporous Framework with Rigid Linkers
Authors: Auckett Josie E. , Duyker Samuel G. , Izgorodina Ekaterina I. , Hawes Chris S. , Turner David R. , Batten Stuart R. , Peterson Vanessa K. 
Published: February 2018

AbstractThe interdependent effects of temperature and guest uptake on the structure of the ultramicroporous metal–organic framework [Cu3(cdm)4] (cdm=C(CN)2(CONH2)−) were explored in detail by using in situ neutron scattering and density functional theory calculations. The tetragonal lattice displays an anisotropic thermal response related to a hinged “lattice‐fence” mechanism, unusual for this topology, which is facilitated by pivoting of the rigid cdm anion about the Cu nodes. Calculated pore‐size metrics clearly illustrate the potential for temperature‐mediated adsorption in ultramicroporous frameworks due to thermal fluctuations of the pore diameter near the value of the target guest kinetic diameter, though in [Cu3(cdm)4] this is counteracted by a competing contraction of the pore with increasing temperature as a result of the anisotropic lattice response.
Molecular Tectonics with Di‐ and Trinuclear Organotin Compounds
Authors: Rojas‐León Irán , Alnasr Hazem , Jurkschat Klaus , Vasquez‐Ríos María G. , Hernández‐Ahuactzi Irán F. , Höpfl Herbert 
Published: February 2018

AbstractDi‐ and trinuclear organotin(IV) complexes, in which the metal atoms are separated by large aromatic connectors, are useful building blocks for self‐assembly. This is demonstrated by the preparation of [1+1], [2+2], and [2+3] macrocyclic and cage‐type structures in combination with organic aromatic dicarboxylates. The linkage of the metal atoms by organic binders and the option of varying the number of reactive M−X sites generate versatile building blocks enabling molecular tectonics instead of the node‐based strategy generally employed in metallo‐supramolecular self‐assembly.
Palladium‐Catalyzed Decarboxylative Heck‐Type Coupling of Activated Aliphatic Carboxylic Acids Enabled by Visible Light
Authors: Koy Maximilian , Sandfort Frederik , Tlahuext‐Aca Adrian , Quach Linda , Daniliuc Constantin G. , Glorius Frank 
Published: February 2018

AbstractThe palladium‐catalyzed coupling reaction of N‐hydroxyphthalimide esters and styrenes to deliver exclusively (E)‐substituted olefins under irradiation with visible light is reported. This method tolerates N‐hydroxyphthalimide esters derived from primary, secondary, tertiary as well as benzylic carboxylic acids. Notably, Pd(PPh3)4 is employed as an inexpensive palladium source and no addition of base or classical photocatalyst is required. Mechanistic studies suggest a light‐mediated single‐electron reduction of the activated acid by a photoexcited palladium(0) species to access alkyl radicals through decarboxylation.
RUPTURE DISTRIBUTION OF THE 1976 TANGSHAN EARTHQUAKE SEQUENCE INVERTED FROM GEODETIC DATA
Authors: Yong‐Ge WAN , Yong‐Kui WAN , Zhi‐Tong JIN , Shu‐Zhong SHENG , Zhao‐Cai LIU , Fan YANG , Tian FENG 
Published: February 2018

AbstractThe Tangshan 1976 M7.8 earthquake was followed by two large aftershocks (the Luanxian M7.1 earthquake and the Ninghe M6.9 earthquake). The earthquake sequence occurred in an area with good geodetic observation, and the horizontal and vertical co‐seismic displacements were obtained by triangulation net and leveling net. In this study, by using raw leveling data (not the subsidence image processed from raw leveling data) and triangulation observation data, we obtain the rupture distribution of strike slip and dip slip component on seismogenic faults. The geometry and size of the seismic faults of the Luanxian and Ninghe earthquake are considered in our model construction. The result shows that the seismic fault of the Tangshan mainshock manifested right‐lateral strike slip with a maximum value greater than 6 m in the southern segment. The strike slip component on the northern segment is much less than that of the southern segment. The total seismic moment of the Tangshan mainshock is 2.58 × 1020 N·m, which is consistent with that determined by seismic waves. The seismic fault of the Luanxian earthquake shows as a left‐lateral normal fault with total moment of 4.95 × 1019 N·m. The seismic fault of the Ninghe earthquake shows as a left‐lateral normal fault with total moment of 3.94 × 1019 N·m, which is an order of magnitude greater than the moment determined by seismic waveform. It is so inferred that the aseismic slip of the Tangshan earthquake occurred on the western part of the Ninghe earthquake fault, demonstrated nearly normal fault property, which is of great significances for geodynamic process and mechanism of aftershock occurrence after the Tangshan earthquake.
STUDY ON THE SEISMIC CHARACTERISTICS OF THE GAS HYDRATE SYSTEM IN THE NIGER DELTA
Authors: Jin‐Xiu YANG , Hong‐Liang WANG , Wei‐Wei HE , Min WANG , Shuang‐Fang LU 
Published: February 2018

AbstractGas hydrate system is generally indicated by seismic indicators like bottom simulating reflection (BSR) and underlying high amplitudes (often caused by free gas zones: FGZs), but not all BSRs and underlying high amplitudes are caused by hydrates or free gas. In this study, we choose apparent polarity attribute to help identify hydrate‐related BSR and FGZs, both of which are characterized by negative apparent polarity and high amplitude. In the study area, the gas hydrate system is mainly distributed in areas with gravitational structures including growth faults and related rollover anticlines. Faults, chimneys, unconformity and permeable sandstone beds can act as fluid migration conduits, supplying gas to the shallower gas hydrate system. When gas hydrates dissociate or the FGZs are critically overpressured, these conduits can also play a role in gas recycling between the FGZs and hydrate‐bearing strata with some of the free gas escaping to the seabed and even to the atmosphere. Generally, apparent polarity is an effective attribute to identify hydrate‐related BSR and FGZs, and fluid migration pathways are of great importance for the formation of gas hydrate system in this study area.
Stacking Interactions of Heterocyclic Drug Fragments with Protein Amide Backbones
Authors: Bootsma Andrea N. , Wheeler Steven E. 
Published: February 2018

AbstractStacking interactions can be important enthalpic contributors to drug binding. Among the less well‐studied stacking interactions are those occurring between an arene and the π‐face of an amide group. Given the ubiquity of heterocycles in drugs, combined with the abundance of amides in the protein backbone, optimizing these noncovalent interactions can provide a potential route to enhanced drug binding. Previously, Diederich et al. (ChemMedChem 2013, 8, 397–404) studied stacked dimers of a model amide with a set of 18 heterocycles, showing that computed interaction energies correlate with the dipole moments of the heterocycles and providing guidelines for the optimization of these interactions. We considered stacked dimers of the same model amide with a larger set of 28 heterocycles common in pharmaceuticals, by using more robust ab initio methods. While the overall trends in these new data corroborate many of the results of Diederich et al., these data provide a more refined view of the nature of amide stacking interactions. We present a robust scoring function for amide stacking interaction energies based on the molecular dipole moment and strength of the electric field above the arene.
Electronic Structure Characterization of Cross‐Linked Sulfur Polymers
Authors: Cappel Ute B. , Liu Peng , Johansson Fredrik O. L. , Philippe Bertrand , Giangrisostomi Erika , Ovsyannikov Ruslan , Lindblad Andreas , Kloo Lars , Gardner James M. , Rensmo Håkan 
Published: February 2018

AbstractCross‐linked polymers of elemental sulfur are of potential interest for electronic applications as they enable facile thin‐film processing of an abundant and inexpensive starting material. Here, we characterize the electronic structure of a cross‐linked sulfur/diisopropenyl benzene (DIB) polymer by a combination of soft and hard X‐ray photoelectron spectroscopy (SOXPES and HAXPES). Two different approaches for enhancing the conductivity of the polymer are compared: the addition of selenium in the polymer synthesis and the addition of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) during film preparation. For the former, we observe the incorporation of Se into the polymer structure resulting in a changed valence‐band structure. For the latter, a Fermi level shift in agreement with p‐type doping of the polymer is observed and also the formation of a surface layer consisting mostly of TFSI anions.
Glucose effectiveness is a critical pathogenic factor leading to glucose intolerance and type 2 diabetes: An ignored hypothesis
Authors: Alford F.P. , Henriksen J.E. , Rantzau C. , Beck‐Nielsen H. 
Published: February 2018

AbstractBackgroundAlthough the ability of glucose to mediate its own in vivo metabolism is long documented, the quantitative measurement of whole body glucose‐mediated glucose disposal at basal insulin levels (glucose effectiveness [GE]), followed the introduction of the Minimal Model intravenous glucose tolerance test technique.MethodsA literature review, combined with our own studies, of the role of GE in glucose metabolism in normal and “at risk” individuals, was undertaken to determine GE's contribution to glucose homeostasis.ResultsGE accounts for ~45% to 65% of glucose disposal in man. A negative association between GE and insulin meditated glucose disposal (Si), is present in normal subjects without a family history of type 2 diabetes mellitus but is absent in normoglycaemic “at risk” relatives with a positive family history of diabetes mellitus. Intracellular GE disposal is mediated by mass action of glucose through the skeletal muscle membrane via facilitated Glut 4 transporters. However, GE is frequently forgotten as a significant contributor to the development of glucose intolerance in “at risk” individuals. Only limited studies have examined the role of a lower GE in such normoglycemic subjects with preexisting mild insulin resistance and β‐cell dysfunction. These studies demonstrate that in “at risk” individuals, an initial low GE is a key contributor and predictor of future glucose intolerance, whereas an initial raised GE is protective against future glucose intolerance.ConclusionIn “at risk” individuals, a low GE and genetically determined vulnerable β‐cell function are more critical determinants of future glucose intolerance than their preexisting insulin‐resistant state.
Count data in biology—Data transformation or model reformation?
Authors: St‐Pierre Anne P. , Shikon Violaine , Schneider David C. 
Published: February 2018

AbstractStatistical analyses are an integral component of scientific research, and for decades, biologists have applied transformations to data to meet the normal error assumptions forFandttests. Over the years, there has been a movement from data transformation toward model reformation—the use of non‐normal error structures within the framework of the generalized linear model (GLM). The principal advantage of model reformation is that parameters are estimated on the original, rather than the transformed scale. However, data transformation has been shown to give better control over type I error, for simulated data with known error structures. We conducted a literature review of statistical textbooks directed toward biologists and of journal articles published in the primary literature to determine temporal trends in both the text recommendations and the practice in the refereed literature over the past 35 years. In this review, a trend of increasing use of reformation in the primary literature was evident, moving from no use of reformation before 1996 to >50% of the articles reviewed applying GLM after 2006. However, no such trend was observed in the recommendations in statistical textbooks. We then undertook 12 analyses based on published datasets in which we compared the type I error estimates, residual plot diagnostics, and coefficients yielded by analyses using square root transformations, log transformations, and the GLM. All analyses yielded acceptable residual versus fit plots and had similarp‐values within each analysis, but as expected, the coefficient estimates differed substantially. Furthermore, no consensus could be found in the literature regarding a procedure to back‐transform the coefficient estimates obtained from linear models performed on transformed datasets. This lack of consistency among coefficient estimates constitutes a major argument for model reformation over data transformation in biology.