bluuebunny/crossref_metadata_2025 huggingface dataset:
A Reduced‐Order Successive Linear Estimator for Geostatistical Inversion and its Application in Hydraulic Tomography
Authors: Zha Yuanyuan , Yeh Tian‐Chyi J. , Illman Walter A. , Zeng Wenzhi , Zhang Yonggen , Sun Fangqiang , Shi Liangsheng
Published: February 2018

Hydraulic tomography (HT) is a recently developed technology for characterizing high‐resolution, site‐specific heterogeneity using hydraulic data (nd) from a series of cross‐hole pumping tests. To properly account for the subsurface heterogeneity and to flexibly incorporate additional information, geostatistical inverse models, which permit a large number of spatially correlated unknowns (ny), are frequently used to interpret the collected data. However, the memory storage requirements for the covariance of the unknowns (ny × ny) in these models are prodigious for large‐scale 3‐D problems. Moreover, the sensitivity evaluation is often computationally intensive using traditional difference method (ny forward runs). Although employment of the adjoint method can reduce the cost to nd forward runs, the adjoint model requires intrusive coding effort. In order to resolve these issues, this paper presents a Reduced‐Order Successive Linear Estimator (ROSLE) for analyzing HT data. This new estimator approximates the covariance of the unknowns using Karhunen‐Loeve Expansion (KLE) truncated to nkl order, and it calculates the directional sensitivities (in the directions of nkl eigenvectors) to form the covariance and cross‐covariance used in the Successive Linear Estimator (SLE). In addition, the covariance of unknowns is updated every iteration by updating the eigenvalues and eigenfunctions. The computational advantages of the proposed algorithm are demonstrated through numerical experiments and a 3‐D transient HT analysis of data from a highly heterogeneous field site.
Effect of Water Surface Salinity on Evaporation: The Case of a Diluted Buoyant Plume Over the Dead Sea
Authors: Mor Z. , Assouline S. , Tanny J. , Lensky I. M. , Lensky N. G.
Published: February 2018

Evaporation from water bodies strongly depends on surface water salinity. Spatial variation of surface salinity of saline water bodies commonly occurs across diluted buoyant plumes fed by freshwater inflows. Although mainly studied at the pan evaporation scale, the effect of surface water salinity on evaporation has not yet been investigated by means of direct measurement at the scale of natural water bodies. The Dead Sea, a large hypersaline lake, is fed by onshore freshwater springs that form local diluted buoyant plumes, offering a unique opportunity to explore this effect. Surface heat fluxes, micrometeorological variables, and water temperature and salinity profiles were measured simultaneously and directly over the salty lake and over a region of diluted buoyant plume. Relatively close meteorological conditions prevailed in the two regions; however, surface water salinity was significantly different. Evaporation rate from the diluted plume was occasionally 3 times larger than that of the main salty lake. In the open lake, where salinity was uniform with depth, increased wind speed resulted in increased evaporation rate, as expected. However, in the buoyant plume where diluted brine floats over the hypersaline brine, wind speed above a threshold value (∼4 m s−1) caused a sharp decrease in evaporation probably due to mixing of the stratified plume and a consequent increase in the surface water salinity.
The Role of Frozen Soil in Groundwater Discharge Predictions for Warming Alpine Watersheds
Authors: Evans Sarah G. , Ge Shemin , Voss Clifford I. , Molotch Noah P.
Published: February 2018

Climate warming may alter the quantity and timing of groundwater discharge to streams in high alpine watersheds due to changes in the timing of the duration of seasonal freezing in the subsurface and snowmelt recharge. It is imperative to understand the effects of seasonal freezing and recharge on groundwater discharge to streams in warming alpine watersheds as streamflow originating from these watersheds is a critical water resource for downstream users. This study evaluates how climate warming may alter groundwater discharge due to changes in seasonally frozen ground and snowmelt using a 2‐D coupled flow and heat transport model with freeze and thaw capabilities for variably saturated media. The model is applied to a representative snowmelt‐dominated watershed in the Rocky Mountains of central Colorado, USA, with snowmelt time series reconstructed from a 12 year data set of hydrometeorological records and satellite‐derived snow covered area. Model analyses indicate that the duration of seasonal freezing in the subsurface controls groundwater discharge to streams, while snowmelt timing controls groundwater discharge to hillslope faces. Climate warming causes changes to subsurface ice content and duration, rerouting groundwater flow paths but not altering the total magnitude of future groundwater discharge outside of the bounds of hydrologic parameter uncertainties. These findings suggest that frozen soil routines play an important role for predicting the future location of groundwater discharge in watersheds underlain by seasonally frozen ground.
H
alovarius
Authors: Amoozegar Mohammad Ali , Ventosa Antonio
Published: February 2018

Ha.lo.va'ri.us. Gr. n.
hals halos
, salt; L. masc. adj.
varius
, variable; N.L. masc. n.
Halovarius
, referring to the shape of the cells.

Euryarchaeota / Halobacteria / Natrialbales / Natrialbaceae / Halovarius

The genus
Halovarius
is classified within the family
Natrialbaceae
, order
Natrialbales
, in the class
Halobacteria
. The cells are pleomorphic, from small rods to triangles or disk‐shaped, and stain Gram‐negative. Colonies are orange pigmented. Strictly aerobic. Catalase and oxidase positive. Extremely halophilic microorganism, needs at least 2.5 M NaCl for growth, but MgCl
2
is not necessary. Chemoorganotrophic and a number of sugars are used as sole carbon and energy source. Acid is produced from different sugars. Polar lipids include phosphatidylglycerol, phosphatidylglycerol phosphate methyl ester, four unidentified glycolipids, and two minor phospholipids. The only respiratory lipoquinone present is MK‐8 (II‐H
2
). Phylogenetically related to the genera
Natribaculum
,
Natrialba, Halobiforma,
and
Halovivax
in the family
Natrialbaceae
. Currently, the genus includes a single species,
Halovarius luteus
; the type species of the genus was isolated from a brine sample of Urmia salt lake in Iran.

DNA G + C content (mol%)
: 62.3 (HPLC).

Type species
:
Halovarius luteus
Mehrshad, Amoozegar, Makhdoumi, Rasooli, Asadi, Schumann and Ventosa 2015, 2423
VP
.
T
epidanaerobacter
Authors: Sekiguchi Yuji , Tourlousse Dieter M.
Published: February 2018

Te.pid.an.ae.ro.bac'ter. L. adj.
tepidus
moderately warm; Gr. pref.
an
not; Gr. n.
aer
air; N.L. masc. n.
bacter
rod; N.L. masc. n.
Tepidanaerobacter
moderately thermophilic anaerobic rod.

Firmicutes / Clostridia / Thermoanaerobacterales / Thermovenabulaceae / Tepidanaerobacter

Irregular rods and sometimes filament‐shaped. Gram‐positive‐type cell wall ultrastructure. Some strains are motile and spore‐forming. Shows strictly anaerobic growth with chemoorganoheterotrophic metabolism. Moderately thermophilic. Grows fermentatively with a range of carbohydrates and can grow on selected substrates in syntrophic association with hydrogenotrophic methanogens. Contains a single species with validly published name,
Tepidanaerobacter syntrophicus
. Belongs to a deeply branching lineage of the phylum
Firmicutes
and shares 96% 16S rRNA gene sequence similarity with “
Tepidanaerobacter acetatoxydans
”, another species of the genus.

DNA G + C content (mol%)
: 38.0–38.4 (HPLC) 37.5–38.6 (genome sequence).

Type species
:
Tepidanaerobacter syntrophicus
Sekiguchi, Imachi, Susilorukmi, Muramatsu, Ohashi, Harada, Hanada and Kamagata 2006, 1627
VP
.
Effect of secondary electron generation on dose enhancement in Lipiodol with and without a flattening filter
Authors: Kawahara Daisuke , Ozawa Shuichi , Saito Akito , Kimura Tomoki , Suzuki Tatsuhiko , Tsuneda Masato , Tanaka Sodai , Nakashima Takeo , Ohno Yoshimi , Murakami Yuji , Nagata Yasushi
Published: February 2018

Purpose

Lipiodol, which was used in transcatheter arterial chemoembolization before liver stereotactic body radiation therapy (SBRT), remains in SBRT. Previous we reported the dose enhancement in Lipiodol using 10 MV (10×) FFF beam. In this study, we compared the dose enhancement in Lipiodol and evaluated the probability of electron generation (PEG) for the dose enhancement using flattening filter (FF) and flattening filter free (FFF) beams.

Methods

FF and FFF for 6 MV (6×) and 10× beams were delivered by TrueBeam. The dose enhancement factor (DEF), energy spectrum, and PEG was calculated using Monte Carlo (MC) code BEAMnrc and heavy ion transport code system (PHITS).

Results

DEFs for FF and FFF 6× beams were 7.0% and 17.0% at the center of Lipiodol (depth, 6.5 cm). DEFs for FF and FFF 10× beams were 8.2% and 10.5% at the center of Lipiodol. Spectral analysis revealed that the FFF beams contained more low‐energy (0–0.3 MeV) electrons than the FF beams, and the FF beams contained more high‐energy (>0.3 MeV) electrons than the FFF beams in Lipiodol. The difference between FFF and FF beam DEFs was larger for 6× than for 10×. This occurred because the 10× beams contained more high‐energy electrons. The PEGs for photoelectric absorption and Compton scattering for the FFF beams were higher than those for the FF beams. The PEG for the photoelectric absorption was higher than that for Compton scattering.

Conclusions

FFF beam contained more low‐energy photons and it contributed to the dose enhancement. Energy spectra and PEGs are useful for analyzing the mechanisms of dose enhancement.
Graphene and Carbon‐Nanotube Nanohybrids Covalently Functionalized by Porphyrins and Phthalocyanines for Optoelectronic Properties
Authors: Wang Aijian , Ye Jun , Humphrey Mark G. , Zhang Chi
Published: February 2018

In recent years, there has been a rapid growth in studies of the optoelectronic properties of graphene, carbon nanotubes (CNTs), and their derivatives. The chemical functionalization of graphene and CNTs is a key requirement for the development of this field, but it remains a significant challenge. The focus here is on recent advances in constructing nanohybrids of graphene or CNTs covalently linked to porphyrins or phthalocyanines, as well as their application in nonlinear optics. Following a summary of the syntheses of nanohybrids constructed from graphene or CNTs and porphyrins or phthalocyanines, explicit intraconjugate electronic interactions between photoexcited porphyrins/phthalocyanines and graphene/CNTs are introduced classified by energy transfer, electron transfer, and charge transfer, and their optoelectronic applications are also highlighted. The major current challenges for the development of covalently linked nanohybrids of porphyrins or phthalocyanines and carbon nanostructures are also presented.
N‐Heterocyclic Carbene‐Catalyzed Double Michael Addition: Stereoselective Synthesis of Spirofluorenes and Multisubstituted Indanes
Authors: Xing Fen , Feng Ze‐Nan , Wang Ying , Du Guang‐Fen , Gu Cheng‐Zhi , Dai Bin , He Lin
Published: February 2018

The strong Brønsted basic character of N‐heterocyclic carbenes (NHCs) has been used to promote the cascade double Michael addition between fluorenes and dienones. Under catalyst loadings of 1–5 mol% of NHC, fluorene reacts with divinyl ketones (DVKs) to afford anti‐spirofluorene compounds in high yields. However, when benzenedi(enones) were employed as Michael acceptors in the presence of 10 mol% of NHC, fluorene undergoes a different inter‐ and intramolecular cascade double Michael addition, providing multi‐substituted indanes in high yields with excellent diastereoselectivity.

magnified image
A Tunable Route to Prepare α,β‐Unsaturated Esters and α,β‐Unsaturated‐γ‐Keto Esters through Copper‐Catalyzed Coupling of Alkenyl Boronic Acids with Phosphorus Ylides
Authors: Bi Hong‐Yan , Liu Feng‐Ping , Liang Cui , Su Gui‐Fa , Mo Dong‐Liang
Published: February 2018

A tunable strategy to prepare α,β‐unsaturated esters and α,β‐unsaturated‐γ‐keto esters in good to excellent yields was developed through copper‐catalyzed oxidative coupling of phosphorus ylides with alkenyl boronic acids under mild conditions. The reaction without water afforded α,β‐unsaturated esters, ketones, and amides while α,β‐unsaturated‐γ‐keto esters, 1,4‐α,β‐unsaturated diketones and α,β‐unsaturated‐γ‐keto amides were obtained when using 5.0 equiv. of water. H2O18 labeling experiments showed that water played an important role in the formation of α,β‐unsaturated‐γ‐keto esters. A plausible formation mechanism for α,β‐unsaturated esters and α,β‐unsaturated‐γ‐keto esters was proposed based on mechanistic studies. Phosphonium salts could also be used directly as coupling partners instead of phosphorus ylides. The reaction exhibited a broad substrate scope, good functional group tolerance, good regioselectivity, and diverse coupling products.

magnified image
New Insight on Tuning Electrical Transport Properties via Chalcogen Doping in n‐type Mg3Sb2‐Based Thermoelectric Materials
Authors: Zhang Jiawei , Song Lirong , Borup Kasper Andersen , Jørgensen Mads Ry Vogel , Iversen Bo Brummerstedt
Published: February 2018

n‐type Mg3Sb1.5Bi0.5 has recently been discovered to be a promising thermoelectric material, yet the effective n‐type dopants are mainly limited to the chalcogens. This may be attributed to the limited chemical insight into the effects from different n‐type dopants. By comparing the effects of different chalcogen dopants Q (Q = S, Se, and Te) on thermoelectric properties, it is found that the chalcogen dopants Q become more efficient with decreasing electronegativity difference between Q and Mg, which is mainly due to the increasing carrier concentration and mobility. Using density functional theory calculations, it is shown that the improving carrier concentration originates from the increasing doping limit induced by the stabilizing extrinsic defect. Moreover, the increasing electron mobility with decreasing electronegativity difference between Q and Mg is attributed to the smaller effective mass resulting from the enhancing chemical bond covalency, which is supported by the decreasing theoretical density of states. According to the above trends, a simple guiding principle based on electronegativity is proposed to shed new light on n‐type doping in Zintl antimonides.
Direct Measurement of Charge Regulation in Metalloprotein Electron Transfer
Authors: Zahler Collin T. , Zhou Hongyu , Abdolvahabi Alireza , Holden Rebecca L. , Rasouli Sanaz , Tao Peng , Shaw Bryan F.
Published: February 2018

Determining whether a protein regulates its net electrostatic charge during electron transfer (ET) will deepen our mechanistic understanding of how polypeptides tune rates and free energies of ET (e.g., by affecting reorganization energy, and/or redox potential). Charge regulation during ET has never been measured for proteins because few tools exist to measure the net charge of a folded protein in solution at different oxidation states. Herein, we used a niche analytical tool (protein charge ladders analyzed with capillary electrophoresis) to determine that the net charges of myoglobin, cytochrome c, and azurin change by 0.62±0.06, 1.19±0.02, and 0.51±0.04 units upon single ET. Computational analysis predicts that these fluctuations in charge arise from changes in the pKa values of multiple non‐coordinating residues (predominantly histidine) that involve between 0.42–0.90 eV. These results suggest that ionizable residues can tune the reactivity of redox centers by regulating the net charge of the entire protein–cofactor–solvent complex.
An Organic Mixed‐Valence Ligand for Multistate Redox‐Active Coordination Networks
Authors: Ha Joo Yeon , Koo Jin Young , Ohtsu Hiroyoshi , Yakiyama Yumi , Kim Kimoon , Hashizume Daisuke , Kawano Masaki
Published: February 2018

The multistate redox‐active/multi‐interactive ligand 5,5′,8,8′‐tetra(4‐pyridyl)‐2,2′‐(1,4‐phenylene)bis‐1H‐perimidine (H2TPP) was designed and synthesized. H2TPP undergoes four one‐electron oxidation steps, and was used for the preparation of a multistate redox‐active coordination network in a solid–liquid interface reaction using molten Cd2+ salts. The multiple redox states of H2TPP were confirmed spectroscopically by stepwise four‐electron oxidation. Spectroscopic analysis indicated that the mixed‐valence states of the ligand are class II on the UV/Vis/NIR timescale and borderline class II/class III on the ESR timescale.
Helicenophyrins: Expanded Carbaporphyrins Incorporating Aza[5]helicene and Heptacyclic S‐Shaped Aza[5]helicene Motifs
Authors: Szyszko Bartosz , Przewoźnik Monika , Białek Michał J. , Białońska Agata , Chmielewski Piotr J. , Cichos Jakub , Latos‐Grażyński Lechosław
Published: February 2018

Incorporation of phenanthrene into a hexaphyrin(1.1.1.1.1.0) frame resulted in intramolecular ring fusion, thus giving rise to chiral helicenophyrins. These molecules contain helicene and porphyrin features by incorporating either an aza[5]helicene or heptacyclic S‐shaped aza[5]helicene.
Phosphorus‐containing silica gel‐coated ammonium polyphosphate: Preparation, characterization, and its effect on the flame retardancy of rigid polyurethane foam
Authors: Chen Yajun , Li Linshan , Xu Lifeng , Qian Lijun
Published: February 2018

A phosphorus‐containing silica gel was synthesized via a reaction between phenyl dichlorophosphate, poly(ether polyol), and γ‐aminopropyltriethoxysilane. Ammonium polyphosphate (APP) was modified by the synthesized phosphorus‐containing silica gel (MAPP) and then incorporated into the rigid polyurethane foam (PU). Results showed that APP had a smaller particle size, lower initial decomposition temperature, better heat resistance at high temperature, and better compatibility with PU matrix after the modification. The cone calorimeter test results showed that the incorporation of MAPP obviously reduced the values including peak of heat release rate, total heat release, average effective heat of combustion, and total smoke release, and increased the char yield of PU composite comparing with APP. The improved flame retardancy of PU/MAPP composite was attributed to the quenching effect of PO· and PO2· free radicals released by MAPP in the early stage and the improved thermal stability of phosphorus‐ and silicon‐containing char layer formed in the later stage. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46334.
Identification and expression profiles of novel odorant binding proteins and functional analysis of OBP99a in Bactrocera dorsalis
Authors: Zhang Jing , Luo Deye , Wu Peng , Li Haozhe , Zhang Hongyu , Zheng Weiwei
Published: February 2018

Odorant‐binding proteins (OBPs) in insects are essential for mating and oviposition host selection. How these OBPs respond to different hosts at the mRNA level and their effects on behavior remain poorly characterized. The oriental fruit fly Bactrocera dorsalis is a highly invasive agricultural pest with an extremely broad host range and high fecundity. Based on our previously constructed B. dorsalis transcriptome, six OBPs that were differentially expressed during three different physiological adult stages were identified. A phylogenetic tree was constructed to illustrate the relationships of these six OBPs with OBP sequences from three other dipteran species (Drosophila melanogaster, Anopheles gambiae, and Ceratitis capitata). The spatiotemporal expression profiles of the six OBPs were analyzed using quantitative real‐time PCR. Our results revealed that OBP19c, OBP44a, OBP99a, and OBP99d were abundantly expressed from the prepupa stage to the adult stage, and most of the OBPs were mainly expressed in the head, wings, and antennae. The expression levels of these OBPs were upregulated when female flies were exposed to their preferred hosts. Silencing OBP99a resulted fewer eggs being laid compared with the control group when the females were exposed to their preferred host, that is, banana, whereas more eggs were laid when a non‐preferred host, that is, tomato, was used. Furthermore, silencing OBP99a led to sexually dimorphic mating behavior. dsOBP99a‐injected males dramatically reduced courtship, whereas enhanced courtship was observed in the treated females. These data indicate that OBPs may participate in different biological processes of B. dorsalis. Our study will provide insight into the molecular mechanism of chemoreception and help develop ecologically friendly pest‐control strategies.
Überlebende im Tethys‐Meer
Authors: Tetsch Larissa
Published: February 2018

Plesiosaurier sind offensichtlich älter als bisher gedacht. Ein kürzlich beschriebenes Fossil belegt, dass die urzeitlichen Meeresreptilien bereits in der Trias verbreitet waren und somit das Aussterbeereignis am Übergang zum darauf folgenden Jura vor circa 201 Millionen Jahren überstanden haben müssen. Möglich war dies wohl durch ihre Anpassung an das Leben im offenen Meer. Dort waren die Plesiosaurier aufgrund ihrer effizienten Fortbewegungsweise und ihrer möglichen Warmblütigkeit gefürchtete Räuber.
Berufswelt – ich komme!
Authors: Hauk Andrea
Published: February 2018

Es wird viel diskutiert über die Vereinbarkeit von Familie und Beruf. Andrea Hauk – BIUZ‐Lesern bekannt als Autorin der Laborseite – hat den Praxistest gemacht und berichtet im siebten Teil unserer Reihe von ihren Erfahrungen als Mutter eines Krabbelkindes, die wieder in den Beruf einsteigen möchte.
Clickable Polyamine Derivatives as Chemical Probes for the Polyamine Transport System
Authors: Vanhoutte Roeland , Kahler Jan Pascal , Martin Shaun , van Veen Sarah , Verhelst Steven H. L.
Published: February 2018

Polyamines are essential for cell growth and differentiation, but their trafficking by the polyamine transport system is not fully understood. Herein, the synthesis of several azido‐derivatized polyamines for easy conjugation by click chemistry is described. Attachment of a 4,4‐difluoro‐4‐bora‐3a,4a‐diaza‐s‐indacene (BODIPY) dye gave fluorescent polyamine probes, which were tested in cell culture. The linear probe series showed superior cellular uptake compared with that of probes in which the dye was attached to a branch on one of the central amines. Interestingly, the linear probes accumulated rapidly in cancer cells (MCF‐7), but not in nontumorigenic cells (MCF‐10A). The fluorescent polyamine probes are therefore applicable to the study of polyamine trafficking, whereas the azido polyamines may be further utilized to transport cargo into cancer cells by exploiting the polyamine transport system.
Numerical Investigation on Granular Flow from a Wedge‐Shaped Feed Hopper Using the Discrete Element Method
Authors: Liu Yilun , Liu Siqi , Chen Hui , Zhao Xianqiong , Liu Chi , Wu Tianxiang , Su Jiahui
Published: February 2018

The discharge process of granular material from a wedge‐shaped feed hopper was numerically simulated using a 3D discrete element method. The effects of particle size, feed pipe, side and rear wedge angle on the discharge performance were investigated in terms of flow pattern, discharge rate, and stability. The results show that with larger particle size the granular flow pattern gradually transforms from mass flow to edge flow where the flow rate decreases and the discharging integrity and stability become worse. The presence of the feed pipe reduces the discharge rate and stability. The increase of the feed pipe diameter will diminish the discharge rate and enhance the discharge stability. Both the side and the rear wedge angle have a certain effect on the discharge performance. The effects of feed pipe, side and rear wedge angle on the discharge stability become more significant with larger particle size.
Extraction of Spruce Lignin with a Deep Eutectic Solvent in Dependence of the Particle Size
Authors: Schäfer Tobias , Eisenlauer Moritz , Teipel Ulrich
Published: February 2018

Infolge der zunehmenden Nutzung nachwachsender Rohstoffe müssen neue Rohstoffströme erschlossen und die Prozessschritte bei deren Nutzung in ihrer Effizienz gesteigert werden. Lignin ist eine potenzielle Quelle für einkernige aromatische Verbindungen. In dieser Arbeit wird gezeigt, dass die eutektische Mischung aus Cholinchlorid und 3‐Phenylpropionsäure als interessantes Extraktionsmedium für Lignin dienen kann. Um die Ausbeute zu bestimmen, wurde Lignin mit Phloroglucin eingefärbt und mittels UV/Vis‐Spektroskopie quantifiziert. Die Ausbeute wurde in Abhängigkeit der Partikelgröße des unter optimalen Bedingungen zerkleinerten Fichtenholzes definierter Herkunft untersucht.
A SECOND‐ORDER SYNCHROSQUEEZING S‐TRANSFORM AND ITS APPLICATION IN SEISMIC SPECTRAL DECOMPOSITION
Authors: Zhong‐Lai HUANG , Jian‐Zhong ZHANG , Zhi‐Hui ZOU
Published: February 2018

The Synchrosqueezing S‐transform (SSST) is a novel approach for time‐frequency (T‐F) representation of non‐stationary signals. By “squeezing” T‐F spectrum of the S‐transform (ST) of a signal, the SSST can obtain a high‐resolution T‐F spectrum. However, when the phase of a signal varies non‐linearly with time, the instantaneous frequency (IF) of the signal calculated by the SSST would be inaccurate, causing reduction of the resolution of the T‐F spectrum. In order to improve its performance in imaging such signals, we modify the formula of IF with the help of the second‐order partial derivatives of time and frequency, and propose a second‐order Synchrosqueezing S‐transform (SSST2nd). Synthetic examples show that the SSST2nd not only has obviously higher resolution than commonly used T‐F transforms, but also images the signals of which the IFs vary quadratically or sinusoidally with time better than the SSST. We apply the SSST2nd to perform spectral decomposition of seismic data for natural gas exploration. The results illustrate that the SSST2nd can be used to well detect frequency spectral anomalies correlated with natural gas accumulations. Therefore, it can be concluded that the SSST2nd is a good potential technique for seismic interpretation.
DECREASING RADIUS ITERATIVE METHOD FOR REGIONAL‐RESIDUAL SEPARATION OF POTENTIAL FIELD DATA
Authors: Dong‐Jia LIU
Published: February 2018

A decreasing radius iterative method in spatial domain is presented for regional‐residual separation of potential field data. A new eight‐point circumference average formula is derived by arithmetical average of potential field values at eight points along the circumference of a circle of given radius, which can be seen as a filter for calculating regional anomaly from gravity or magnetic data. The transfer function of the filter has a main lobe and multiple side lobes. When the radius becomes large, the number of the side lobes increases, and the filter characteristics become bad. The product of the transfer functions for various values of the radius from large to small is constructed, which is defined as decreasing radius iterative transfer function herein, with the largest radius as its parameter. The decreasing radius iterative transfer function is similar to the low‐pass filter, and the cut‐off wave number is inversely proportional to the largest radius. Based on the decreasing radius iterative transfer function, the decreasing radius linear iterative method in spatial domain is presented for separating regional anomaly, and the residual anomaly is obtained by subtracting the regional anomaly from the gravity or magnetic data. Furthermore, by constructing the nonlinear correction coefficient, the linear iterative formula of the decreasing radius linear iterative method is transformed into the nonlinear iterative formula, and the decreasing radius nonlinear iterative method in spatial domain is proposed. The decreasing radius nonlinear iterative method is tested with synthetic data from model and a field data set from the Nihe iron deposit in Anhui Province. The results show that the proposed method effectively suppresses false anomaly and high frequency interference, reduces anomaly distortion, and separates regional anomaly and residual anomaly from the gravity and magnetic data.
FINITE‐ELEMENT MODELING OF 3D MCSEM IN ARBITRARILY ANISOTROPIC MEDIUM USING POTENTIALS ON UNSTRUCTURED GRIDS
Authors: Han‐Bo CHEN , Tong‐Lin LI , Bin XIONG , Shuai CHEN , Yong‐Liang LIU
Published: February 2018

This paper presents a new algorithm for the three‐dimensional marine controlled source electromagnetic method modeling in arbitrarily anisotropic medium based on unstructured grids and coulomb gauge. In order to avoid the effect of source singularity, we apply the secondary potential formulation for the quasi‐static of Maxwell's equation. Next, solving the finite element equations with IDR(s) iterative algorithm method combined with the incomplete LU decomposition technology. Once the secondary vector and scalar potential is solved, we can use the moving least square method to calculate their spatial derivative and compute the secondary electric and magnetic field. In order to test the finite element method for numerical modeling of 3D controlled source electromagnetic data in an arbitrarily anisotropic conductive medium of this paper, we applied the developed algorithm to compute the typical CSEM response of two 3D models. The modeling results show that the proposed algorithm is feasible and effective; the IDR(s) is competitive with or superior to ILU‐QMR, ILU‐BICGSTAB methods; the proposed algorithm is general and can be applied to EM modeling in borehole and environment geophysics in arbitrarily anisotropic medium.
Peripartum cardiomyopathy: Status 2018
Authors: Gupta Divya , Wenger Nanette K.
Published: February 2018

Peripartum cardiomyopathy is a rare cardiac condition, overall. However, in certain populations can be found frequently enough and the signs, symptoms, and management should be readily understood. Here we provide an updated overview of this topic.
Simultaneous Multiple MS Binding Assays for the Dopamine, Norepinephrine, and Serotonin Transporters
Authors: Neiens Patrick , De Simone Angela , Höfner Georg , Wanner Klaus T.
Published: February 2018

In this work, we present label‐free, mass‐spectrometry‐based binding assays (MS Binding Assays), targeting the human dopamine, norepinephrine, and serotonin transporters (hDAT, hNET, and hSERT) in simultaneous binding experiments. Using a validated LC–ESI‐MS/MS method for quantification of the selective dopamine transporter inhibitor (R,R)‐4‐(2‐benzhydryloxyethyl)‐1‐(4‐fluorobenzyl)piperidin‐3‐ol ((R,R)‐D‐84), the selective norepinephrine transporter inhibitor (S,S)‐reboxetine, and the selective serotonin reuptake inhibitor (S)‐citalopram, binding affinities at the three monoamine transporters could be characterized simultaneously in a single binding experiment. The performed simultaneous saturation and competition experiments yielded results that are in good accordance with those determined in MS Binding Assays addressing the monoamine transporters individually. The results obtained from this study underscore the potential of MS Binding Assays for simultaneous affinity determination at different targets, which is difficult to accomplish with conventional radioligand binding assays.
Development of a Focused Library of Triazole‐Linked Privileged‐Structure‐Based Conjugates Leading to the Discovery of Novel Phenotypic Hits against Protozoan Parasitic Infections
Authors: Uliassi Elisa , Piazzi Lorna , Belluti Federica , Mazzanti Andrea , Kaiser Marcel , Brun Reto , Moraes Carolina B. , Freitas‐Junior Lucio H. , Gul Sheraz , Kuzikov Maria , Ellinger Bernhard , Borsari Chiara , Costi Maria Paola , Bolognesi Maria Laura
Published: February 2018

Protozoan infections caused by Plasmodium, Leishmania, and Trypanosoma spp. contribute significantly to the burden of infectious diseases worldwide, causing severe morbidity and mortality. The inadequacy of available treatments calls for cost‐ and time‐effective drug discovery endeavors. To this end, we envisaged the triazole linkage of privileged structures as an effective drug design strategy to generate a focused library of high‐quality compounds. The versatility of this approach was combined with the feasibility of a phenotypic assay, integrated with early ADME‐tox profiling. Thus, an 18‐membered library was efficiently assembled via Huisgen cycloaddition of phenothiazine, biphenyl, and phenylpiperazine scaffolds. The resulting 18 compounds were then tested against seven parasite strains, and counter‐screened for selectivity against two mammalian cell lines. In parallel, hERG and cytochrome P450 (CYP) inhibition, and mitochondrial toxicity were assessed. Remarkably, 10‐((1‐(3‐([1,1′‐biphenyl]‐3‐yloxy)propyl)‐1H‐1,2,3‐triazol‐5‐yl)methyl)‐10H‐phenothiazine (7) and 10‐(3‐(1‐(3‐([1,1′‐biphenyl]‐3‐yloxy)propyl)‐1H‐1,2,3‐triazol‐4‐yl)propyl)‐10H‐phenothiazine (12) showed respective IC50 values of 1.8 and 1.9 μg mL−1 against T. cruzi, together with optimal selectivity. In particular, compound 7 showed a promising ADME‐tox profile. Thus, hit 7 might be progressed as an antichagasic lead.
Design, Synthesis, and Biological Evaluation of Bivalent Ligands Targeting Dopamine D2‐Like Receptors and the μ‐Opioid Receptor
Authors: Qian Mingcheng , Vasudevan Lakshmi , Huysentruyt Jelle , Risseeuw Martijn D. P. , Stove Christophe , Vanderheyden Patrick M. L. , Van Craenenbroeck Kathleen , Van Calenbergh Serge
Published: February 2018

Currently, there is mounting evidence that intermolecular receptor–receptor interactions may result in altered receptor recognition, pharmacology and signaling. Heterobivalent ligands have been proven useful as molecular probes for confirming and targeting heteromeric receptors. This report describes the design and synthesis of novel heterobivalent ligands for dopamine D2‐like receptors (D2‐likeR) and the μ‐opioid receptor (μOR) and their evaluation using ligand binding and functional assays. Interestingly, we identified a potent bivalent ligand that contains a short 18‐atom linker and combines good potency with high efficacy both in β‐arrestin 2 recruitment for μOR and MAPK‐P for D4R. Furthermore, this compound was characterized by a biphasic competition binding curve for the D4R–μOR heterodimer, indicative of a bivalent binding mode. As this compound possibly bridges the D4R–μOR heterodimer, it could be used as a pharmacological tool to further investigate the interactions of D4R and μOR.
Decreased early mortality associated with the treatment of acute myeloid leukemia at National Cancer Institute‐designated cancer centers in California
Authors: Ho Gwendolyn , Wun Ted , Muffly Lori , Li Qian , Brunson Ann , Rosenberg Aaron S. , Jonas Brian A. , Keegan Theresa H.M.
Published: February 2018

BACKGROUND

To the authors' knowledge, few population‐based studies to date have evaluated the association between location of care, complications with induction therapy, and early mortality in patients with acute myeloid leukemia (AML).

METHODS

Using linked data from the California Cancer Registry and Patient Discharge Dataset (1999‐2014), the authors identified adult (aged ≥18 years) patients with AML who received inpatient treatment within 30 days of diagnosis. A propensity score was created for treatment at a National Cancer Institute‐designated cancer center (NCI‐CC). Inverse probability‐weighted, multivariable logistic regression models were used to determine associations between location of care, complications, and early mortality (death ≤60 days from diagnosis).

RESULTS

Of the 7007 patients with AML, 1762 (25%) were treated at an NCI‐CC. Patients with AML who were treated at NCI‐CCs were more likely to be aged ≤65 years, live in higher socioeconomic status neighborhoods, have fewer comorbidities, and have public health insurance. Patients treated at NCI‐CCs had higher rates of renal failure (23% vs 20%; P = .010) and lower rates of respiratory failure (11% vs 14%; P = .003) and cardiac arrest (1% vs 2%; P = .014). After adjustment for baseline characteristics, treatment at an NCI‐CC was associated with lower early mortality (odds ratio, 0.46; 95% confidence interval, 0.38‐0.57). The impact of complications on early mortality did not differ by location of care except for higher early mortality noted among patients with respiratory failure treated at non‐NCI‐CCs.

CONCLUSIONS

The initial treatment of adult patients with AML at NCI‐CCs is associated with a 53% reduction in the odds of early mortality compared with treatment at non‐NCI‐CCs. Lower early mortality may result from differences in hospital or provider experience and supportive care. Cancer 2018;124:1938‐45. © 2018 American Cancer Society.
Understanding Brønsted‐Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory
Authors: Van der Mynsbrugge Jeroen , Janda Amber , Lin Li‐Chiang , Van Speybroeck Veronique , Head‐Gordon Martin , Bell Alexis T.
Published: February 2018

The front cover artwork is provided by Bell and co‐workers. The image shows a butane molecule adsorbed at a Brønsted acid site inside the pores of zeolite H‐MFI, surrounded by the products of monomolecular cracking and dehydrogenation reactions catalyzed by these sites. Read the full text of the Minireview at 10.1002/cphc.201701084.
Correcting for missing and irregular data in home‐range estimation
Authors: Fleming C. H. , Sheldon D. , Fagan W. F. , Leimgruber P. , Mueller T. , Nandintsetseg D. , Noonan M. J. , Olson K. A. , Setyawan E. , Sianipar A. , Calabrese J. M.
Published: February 2018

Home‐range estimation is an important application of animal tracking data that is frequently complicated by autocorrelation, sampling irregularity, and small effective sample sizes. We introduce a novel, optimal weighting method that accounts for temporal sampling bias in autocorrelated tracking data. This method corrects for irregular and missing data, such that oversampled times are downweighted and undersampled times are upweighted to minimize error in the home‐range estimate. We also introduce computationally efficient algorithms that make this method feasible with large data sets. Generally speaking, there are three situations where weight optimization improves the accuracy of home‐range estimates: with marine data, where the sampling schedule is highly irregular, with duty cycled data, where the sampling schedule changes during the observation period, and when a small number of home‐range crossings are observed, making the beginning and end times more independent and informative than the intermediate times. Using both simulated data and empirical examples including reef manta ray, Mongolian gazelle, and African buffalo, optimal weighting is shown to reduce the error and increase the spatial resolution of home‐range estimates. With a conveniently packaged and computationally efficient software implementation, this method broadens the array of data sets with which accurate space‐use assessments can be made.
Network analysis: An innovative framework for understanding eating disorder psychopathology
Authors: Smith Kathryn E. , Crosby Ross D. , Wonderlich Stephen A. , Forbush Kelsie T. , Mason Tyler B. , Moessner Markus
Published: February 2018

Network theory and analysis is an emerging approach in psychopathology research that has received increasing attention across fields of study. In contrast to medical models or latent variable approaches, network theory suggests that psychiatric syndromes result from systems of causal and reciprocal symptom relationships. Despite the promise of this approach to elucidate key mechanisms contributing to the development and maintenance of eating disorders (EDs), thus far, few applications of network analysis have been tested in ED samples. We first present an overview of network theory, review the existing findings in the ED literature, and discuss the limitations of this literature to date. In particular, the reliance on cross‐sectional designs, use of single‐item self‐reports of symptoms, and instability of results have raised concern about the inferences that can be made from network analyses. We outline several areas to address in future ED network analytic research, which include the use of prospective designs and adoption of multimodal assessment methods. Doing so will provide a clearer understanding of whether network analysis can enhance our current understanding of ED psychopathology and inform clinical interventions.
Myocardial remodeling and susceptibility to ventricular tachycardia in a model of chronic epilepsy
Authors: Lai Yi‐Chen , Li Na , Lawrence William , Wang Sufen , Levine Amber , Burchhardt Daniela M. , Pautler Robia G. , Valderrábano Miguel , Wehrens Xander H. , Anderson Anne E.
Published: February 2018

Objective

Sympathetic predominance and ventricular repolarization abnormalities represent epilepsy‐associated cardiac alterations and may underlie seizure‐induced ventricular arrhythmias. Myocardial ion channel and electrical remodeling have been described early in epilepsy development and may contribute to ventricular repolarization abnormalities and excitability. Using the pilocarpine‐induced acquired epilepsy model we sought to examine whether altered myocardial ion channel levels and electrophysiological changes also occur in animals with long‐standing epilepsy.

Methods

We examined myocardial adrenergic receptor and ion channel protein levels of epileptic and age‐matched sham rats (9–20 months old) using western blotting. Cardiac electrical properties were examined using optical mapping ex vivo and electrophysiology in vivo. We investigated the propensity for ventricular tachycardia (VT) and the effects of β‐adrenergic blockade on ventricular electrical properties and excitability in vivo.

Results

In animals with long‐standing epilepsy, we observed decreased myocardial voltage‐gated K+ channels Kv4.2 and Kv4.3, which are known to underlie early ventricular repolarization in rodents. Decreased β1 and increased α1A adrenergic receptor protein levels occurred in the myocardium of chronically epileptic animals consistent with elevated sympathetic tone. These animals exhibited many cardiac electrophysiological abnormalities, represented by longer QRS and corrected QT (QTc) intervals in vivo, slower conduction velocity ex vivo, and stimulation‐induced VT. Administration of a β‐adrenergic antagonist late in epilepsy was beneficial, as the therapy shortened the QTc interval and decreased stimulation‐induced VT.

Significance

Our findings demonstrate that myocardial ion channel remodeling and sympathetic predominance, risk factors for increased ventricular excitability and arrhythmias, persist in chronic epilepsy. The beneficial effects of β‐adrenergic antagonist treatment late in the course of epilepsy suggest that attenuating elevated sympathetic tone may represent a therapeutic target for ameliorating epilepsy‐associated cardiac morbidity.
Effect of Co‐Ni Ratio in Graphene Based Bimetallic Electro‐catalyst for Methanol Oxidation
Authors: Sarwar E. , Noor T. , Iqbal N. , Mehmood Y. , Ahmed S. , Mehek R.
Published: February 2018

In this paper the electro‐catalytic oxidation of methanol is studied on the non‐noble catalysts Ni–Co/graphene. The bimetallic electro‐catalyst was prepared with different Co–Ni ratios by using simple solution synthesis method. The synthesized materials were characterized by X‐ray diffraction (XRD) and scanning electron microscopy (SEM) for their structure and morphological changes. The electro‐catalytic activity of Ni–Co/graphene for methanol oxidation was investigated by cyclic voltammetry (CV) on glass carbon electrode (GCE) in alkaline medium with 1M methanol solution. The results of various electro‐catalysts have shown significant electro‐oxidation towards methanol. Increasing the Ni concentration in catalyst has promoted the oxidation reaction at the Co–Ni/graphene catalyst. This study reveals that the low‐cost electro‐catalyst Ni–Co/graphene has great potential for DMFC applications.
Investigation of the urinary metabolic variations and the application in bladder cancer biomarker discovery
Authors: Liu Xiaoyan , Cheng Xiangming , Liu Xiang , He Lu , Zhang Wenli , Wang Yajie , Sun Wei , Ji Zhigang
Published: February 2018

Urine metabolomics have been used to identify biomarkers for clinical diseases. However, inter‐individual variations and effect factors need to be further evaluated. In our study, we explored the urine metabolome in a cohort of 203 health adults, 6 patients with benign bladder lesions, and 53 patients with bladder cancer (BCa) using liquid chromatography coupled with high resolution mass spectrometry. Inter‐individual analysis of both healthy controls and BCa patients showed that the urine metabolome was relatively stable. Further analysis indicated that sex and age affect inter‐individual variations in urine metabolome. Metabolic pathways such as tryptophan metabolism, the citrate cycle, and pantothenate and CoA biosynthesis were found to be related to sex and age. To eliminate age and sex interference, additional BCa urine metabolomic biomarkers were explored using age and sex‐matched urine samples (Test group: 44 health adults vs. 33 patients with BCa). Metabolic profiling of urine could significantly differentiate the cases with cancer from the controls and high‐grade from low‐grade BCa. A metabolite panel consisting of trans‐2‐dodecenoylcarnitine, serinyl‐valine, feruloyl‐2‐hydroxyputrescine, and 3‐hydroxynonanoyl carnitine were discovered to have good predictive ability for BCa with an area under the curve (AUC) of 0.956 (cross validation: AUC = 0.924). A panel of indolylacryloylglycine, N2‐galacturonyl‐L‐lysine, and aspartyl‐glutamate was used to establish a robust model for high‐ and low‐grade BCa distinction with AUC of 0.937 (cross validation: AUC = 0.891). External sample (26 control vs. 20 BCa) validation verified the acceptable accuracy of these models for BCa detection. Our study showed that urinary metabolomics is a useful strategy for differential analysis and biomarker discovery.
Real‐time monitoring prefrontal activities during online video game playing by functional near‐infrared spectroscopy
Authors: Li Yue , Zhang Lei , Long Kehong , Gong Hui , Lei Hao
Published: February 2018

A growing body of literature has suggested that video game playing can induce functional and structural plasticity of the brain. The underlying mechanisms, however, remain poorly understood. In this study, functional near‐infrared spectroscopy (fNIRS) was used to record prefrontal activities in 24 experienced game players when they played a massively multiplayer online battle arena video game, League of Legends (LOL), under naturalistic conditions. It was observed that game onset was associated with significant activations in the ventrolateral prefrontal cortex (VLPFC) and concomitant deactivations in the dorsolateral prefrontal cortex (DLPFC) and frontal pole area (FPA). Game events, such as slaying an enemy and being slain by an enemy evoked region‐specific time‐locked hemodynamic/oxygenation responses in the prefrontal cortex (PFC). It was proposed that the VLPFC activities during LOL playing are likely responses to visuo‐motor task load of the game, while the DLPFC/FPA activities may be involved in the constant shifts of attentional states and allocation of cognitive resources required by game playing. The present study demonstrated that it is feasible to use fNIRS to monitor real‐time prefrontal activity during online video game playing.