bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fractional Models Simulating Non‐Fickian Behavior in Four‐Stage Single‐Well Push‐Pull Tests
Authors: Chen Kewei , Zhan Hongbin , Yang Qiang 
Published: October 2017

AbstractFour‐stage single‐well push‐pull (SWPP) tracer tests, including injection, chasing, resting, and pumping, were conducted in a fractured aquifer at Newark basin. An anomalous transport phenomenon observed in the SWPP tests is the linear decline of breakthrough curves (BTCs) at late time with slope of −1.8 in log‐log plots. A time‐dependent fractional model is developed to interpret the anomalous transport behavior. This model considers a time‐dependent power law memory function and a time‐dependent fractional advection‐dispersion operator. The fractional advection‐dispersion equations (fADE) are solved in a radial coordinate system using the implicit Euler method. A semi‐analytical solution of the first‐order rate‐limited mobile‐immobile model (FORMIM) is derived for comparison. It is found that both the nonlocal transport in time and space can produce the long‐tailed BTC. A smaller time‐fractional or space‐fractional index leads to a lower peak concentration and a larger late‐time slope. The mass distribution of the fractional‐in‐space (FS) model exhibits power law decline at the leading plume edge. Early breakthrough during pumping is not observed because the mobile mass at the start of pumping is nonzero and more concentrated near the wellbore. The capacity ratio is an important factor that affects the peak concentration. A larger capacity ratio leads to greater peak concentration. A smaller time‐fractional index in the injection, chasing, or resting stage will move the BTC downward and the slope of the late time BTC is determined by the space‐fractional index over all stages and the time‐fractional index in the pumping stage. The capability of the existing models to recover the BTC of the SWPP test is discussed and some guidelines for how to choose the appropriate model to interpret the SWPP test data are proposed.
Verification of junction dose between VMAT arcs of total body irradiation using a Sun Nuclear ArcCHECK phantom
Authors: Morrison Colm T. , Symons Kirsty L. , Woodings Simon J. , House Michael J. 
Published: October 2017

AbstractA volumetric modulated arc therapy (VMAT) approach to total body irradiation (TBI) has recently been introduced at our institution. The planning target volume (PTV) is divided into separate sub‐volumes, each being treated with 2 arcs with their own isocentre. Pre‐treatment quality assurance of beams is performed on a Sun Nuclear ArcCHECK diode array. Measurement of junction regions between VMAT arcs with separate isocentres has previously been performed with point dose ionization chamber measurements, or with films. Translations of the ArcCHECK with respect to a known distance between the adjacent isocentres of two arcs, which are repeated with the ArcCHECK in an inverted position, allows the recording of a junction dose map. A 3%/3 mm global gamma analysis (10% threshold) pass rate for arc junctions were comparable to their component arcs. Dose maps of junction regions between adjacent arcs with different isocentres can be readily measured on a Sun Nuclear ArcCHECK diode array.
Time‐resolved diode dosimetry calibration through Monte Carlo modeling for in vivo passive scattered proton therapy range verification
Authors: Toltz Allison , Hoesl Michaela , Schuemann Jan , Seuntjens Jan , Lu Hsiao‐Ming , Paganetti Harald 
Published: October 2017

AbstractPurposeOur group previously introduced an in vivo proton range verification methodology in which a silicon diode array system is used to correlate the dose rate profile per range modulation wheel cycle of the detector signal to the water‐equivalent path length (WEPL) for passively scattered proton beam delivery. The implementation of this system requires a set of calibration data to establish a beam‐specific response to WEPL fit for the selected ‘scout’ beam (a 1 cm overshoot of the predicted detector depth with a dose of 4 cGy) in water‐equivalent plastic. This necessitates a separate set of measurements for every ‘scout’ beam that may be appropriate to the clinical case. The current study demonstrates the use of Monte Carlo simulations for calibration of the time‐resolved diode dosimetry technique.MethodsMeasurements for three ‘scout’ beams were compared against simulated detector response with Monte Carlo methods using the Tool for Particle Simulation (TOPAS). The ‘scout’ beams were then applied in the simulation environment to simulated water‐equivalent plastic, a CT of water‐equivalent plastic, and a patient CT data set to assess uncertainty.ResultsSimulated detector response in water‐equivalent plastic was validated against measurements for ‘scout’ spread out Bragg peaks of range 10 cm, 15 cm, and 21 cm (168 MeV, 177 MeV, and 210 MeV) to within 3.4 mm for all beams, and to within 1 mm in the region where the detector is expected to lie.ConclusionFeasibility has been shown for performing the calibration of the detector response for three ‘scout’ beams through simulation for the time‐resolved diode dosimetry technique in passive scattered proton delivery.
Efficacy and safety of anti‐amyloid‐β immunotherapy for Alzheimer's disease: a systematic review and network meta‐analysis
Authors: Mo Jia‐Jie , Li Jin‐yu , Yang Zheng , Liu Zhou , Feng Jin‐Shan 
Published: October 2017

AbstractTo review the optimality and safety of different anti‐Amyloid‐β(Aβ) immunotherapies for Alzheimer's disease (AD). Published randomized controlled trials were comprehensively reviewed from electronic databases (Cochrane library, Embase, Pubmed, and Google scholar). Pooled outcomes as mean difference or odds ratio values with 95% confidence interval were reported. The network estimates with confidence and predictive intervals for all pairwise relative effects was evaluated. Optimal intervention was ranked by benefit‐risk ratio based on the surface under the cumulative ranking curve. Eleven eligible RCTs from 9 literatures, including 5141 patients and 5 interventions were included. The quality of evidence was rated low in comparisons. For efficacy, in terms of Mini‐Mental State Examination, aducanumab and solanezumab are significantly effective than placebo. For safety, in terms of Amyloid‐Related Imaging Abnormalities (ARIA), bapineuzumab and aducanumab are significantly worse than placebo. There were no significant differences in outcomes of Alzheimer's disease Assessment Scale‐Cognitive subscale, Disability Assessment for Dementia, Adverse Events, and mortality. Given the clinical therapeutic effects of anti‐Aβ immunotherapies for AD, aducanumab and solanezumab improve the cognitive function, while aducanumab and bapineuzumab may increase the risks of ARIA.
Preparation of High‐Performance Ionogels with Excellent Transparency, Good Mechanical Strength, and High Conductivity
Authors: Ding Yi , Zhang Jiajing , Chang Li , Zhang Xiqi , Liu Hongliang , Jiang Lei 
Published: October 2017

AbstractIonogels offer great potential for diverse electric applications. However, it remains challenging to fabricate high‐performance ionogels with both good mechanical strength and high conductivity. Here, a new kind of transparent ionogel with both good mechanical strength and high conductivity is designed via locking a kind of free ionic liquid (IL), i.e., 1‐ethyl‐3‐methylimidazolium dicyanamide ([EMIm][DCA]), into charged poly(2‐acrylamido‐2‐methyl‐1‐propanesulfonic acid) (PAMPS)‐based double networks. On the one hand, the charged PAMPS double network provides good mechanical strength and excellent recovery property. On the other hand, the free [EMIm][DCA] locked in the charged double network through electrostatic interaction offers ionic conductivity as high as ≈1.7–2.4 S m−1 at 25 °C. It is demonstrated that the designed ionogel can be successfully used for a flexible skin sensor even under harsh conditions. Considering the rationally designed chemical structures of ILs and the diversity of charged polymer networks, it is envisioned that this strategy can be extended to a broad range of polymer systems. Moreover, functional components such as conducting polymers, 0D nanoparticles, 1D nanowires, and 2D nanosheets can be introduced into the polymer systems to fabricate diverse novel ionogels with unique functions. It is believed that this design principle will provide a new opportunity to construct next‐generation multifunctional ionogels.
Gold‐Catalyzed Dehydrogenative Cycloisomerization of 1,4‐Enyne Esters to 3,5‐Disubstituted Phenol Derivatives
Authors: Chen Cuili , Chen Xianxiao , Zhang Xiaoxiang , Wang Shifa , Rao Weidong , Chan Philip Wai Hong 
Published: October 2017

AbstractA method to prepare synthetically important 3,5‐disubstituted phenol derivatives that relies on the sequential gold(I)‐catalyzed dehydrogenative cycloisomerization of 1,4‐enyne esters in the presence of 2,3‐dichloro‐5,6‐dicyanobenzoquinone (DDQ) or N‐fluorobenzenesulfonimide (NFSI) is described. The synthetic versatility of the methodology was exemplified by a gram‐scale reaction of one example, the ease to realize subsequent functional transformations of an adduct, and the application of the method to the synthesis of the bioactive molecule LUF5771.magnified image
Surface State Mediated Interlayer Excitons in a 2D Nonlayered–Layered Semiconductor Heterojunction
Authors: Zhao Liyun , Wang Xuewen , Zhang Zhepeng , Yang Pengfei , Chen Jie , Chen Yanqi , Wang Hao , Shang Qiuyu , Zhang Yuyang , Zhang Yanfeng , Liu Xinfeng , Leng Jiancai , Liu Zheng , Zhang Qing 
Published: October 2017

AbstractVan der Waals heterojunctions of 2D layered semiconductors and nonlayered technological important II–V semiconductors provide unprecedented opportunities to engineer exciton and carrier dynamics in 2D optoelectronic devices. However, fabrication of such artificial heterojunctions with type‐II band alignment structure and realization of interlayer excitons is challenging. Here, CdS–MoS2 type‐II heterojunctions vertically stacked with few layered MoS2 and ultrathin CdS film are reported. Steady‐state spectroscopy and time‐resolved photoluminescence spectroscopy are used to study exciton and carrier dynamics in these heterojunctions. The surface states of the ultrathin CdS film caused by dangling bonds mediate interlayer exciton emission located at 753 nm in a CdS–bilayer MoS2 heterojunction via charge transition between the MoS2 indirect band and the CdS valence band. As a contrast, the surface states of CdS impede the recombination of interlayer excitons in a CdS‐monolayer MoS2 heterojunction. These results are helpful for development of high‐performance ultrathin optoelectronic and energy devices including light emission diodes, solar cells, and photodetectors.
Separating the Bruce and Trivers‐Willard effects in theory and in human data
Authors: Catalano Ralph , Gemmill Alison , Casey Joan , Karasek Deborah , Stewart Holly , Saxton Katherine 
Published: October 2017

AbstractObjectivesTheories of reproductive suppression predict that natural selection would conserve mechanisms that abort the gestation of offspring otherwise unlikely to thrive in prevailing environments. Research reports evidence among humans of at least two such mechanisms—the Trivers‐Willard and Bruce Effects. No literature, however, compares the mechanisms nor estimates their relative contribution to observed characteristics of human birth cohorts. We describe similarities and differences between the Trivers‐Willard and Bruce Effects and explore high quality historical data from Sweden to determine which mechanism better describes temporal variation in the ratio of males to females in birth cohorts.MethodsWe measure Trivers‐Willard exposures with the death rate among women of reproductive age. We measure Bruce exposures with the death rate among children. We use time‐series regression methods to estimate the relative contribution of the Trivers‐Willard and Bruce Effects to temporal variation in historical Swedish secondary sex ratio data.ResultsWe find that the Bruce Effect appears to be a better predictor of the secondary sex ratio than does the Trivers‐Willard Effect.ConclusionsAttempts to identify mechanisms by which reproductive suppression affects fetal loss and characteristics of human birth cohorts should consider the Bruce Effect as an alternative to the Trivers‐Willard Effect.
Synthesis of 2‐Cyclohexenone‐2‐carboxylate and 4‐Chloro‐2‐cyclohexenone‐2‐carboxylate Derivatives by Cyclization of Alkyne‐Tethered 1,3‐Ketoesters
Authors: Kaewsri Wilailak , Norseeda Krissada , Ruengsangtongkul Sureeporn , Chaisan Nattawadee , Thongsornkleeb Charnsak , Tummatorn Jumreang , Ruchirawat Somsak 
Published: October 2017

AbstractA method for the TfOH‐promoted (Tf=trifluoromethanesulfonyl) cyclization of alkyne‐tethered 1,3‐ketoesters to afford 2‐cyclohexenone‐2‐carboxylate derivatives has been developed. The procedure requires no transition‐metal reagent or catalyst and is practical to conduct under mild conditions. 2‐Cyclohexenone‐2‐carboxylate derivatives were obtained in moderate to good yields without any evidence of decarboxylation. In addition, the approach can be easily adapted as a one‐pot sequential cyclization/chlorination protocol that selectively provides access to 4‐chloro‐2‐cyclohexenone‐2‐carboxylate derivatives in moderate to good yields.
Efficacy of nasal irrigation with 200 μg/mL amphotericin B after functional endoscopic sinus surgery: a randomized, placebo‐controlled, double‐blind study
Authors: Jiang Rong‐San , Twu Chih‐Wen , Liang Kai‐Li 
Published: October 2017

BackgroundPrevious studies have shown controversial results of topical amphotericin B (AMB) nasal irrigation for chronic rhinosinusitis (CRS). The purpose of this study was to evaluate the efficacy of 200 μg/mL AMB nasal irrigation as an adjuvant therapy after functional endoscopic sinus surgery (FESS).MethodsPatients with CRS who had received FESS for treatment were recruited and assigned to 1 of 2 groups at random at 1 month postsurgery. In the AMB group patients received nasal irrigation with 200 μg/mL of AMB for 2 months on a daily basis. In the control group normal saline irrigation was given instead. Before FESS and before and after nasal irrigation, patients’ sinonasal symptoms were assessed through a questionnaire that was a Taiwanese version of the 22‐item Sino‐Nasal Outcome Test (TWSNOT‐22). In addition, patients received endoscopic examination, acoustic rhinometry, smell test, saccharine transit test, and bacterial cultures obtained from their middle meati.ResultsA total of 73 patients completed the study between December 2014 and January 2017. Among them, 37 received nasal irrigation with AMB solution, and 36 with saline. In the AMB group, scores of TWSNOT‐22 dropped significantly after irrigation compared with before (p = 0.005). In the control group, TWSNOT‐22 scores did not changed after irrigation (p = 0.451). However, there were no significant differences in TWSNOT‐22, endoscopic score, smell test, saccharine transit test, and bacterial culture rate after irrigation between 2 groups.ConclusionOur study showed that in post‐FESS care, nasal irrigation with 200 μg/mL of AMB did not provide additional benefit compared with saline irrigation.
A clinical predictive score for postoperative myasthenic crisis
Authors: Kanai Tetsuya , Uzawa Akiyuki , Sato Yasunori , Suzuki Shigeaki , Kawaguchi Naoki , Himuro Keiichi , Oda Fumiko , Ozawa Yukiko , Nakahara Jin , Suzuki Norihiro , Takahashi Yuko K. , Ishibashi Satoru , Yokota Takanori , Ogawa Takashi , Yokoyama Kazumasa , Hattori Nobutaka , Izaki Shoko , Oji Satoru , Nomura Kyoichi , Kaneko Juntaro , Nishiyama Kazutoshi , Yoshino Ichiro , Kuwabara Satoshi 
Published: October 2017

ObjectiveMyasthenia gravis (MG) is an autoimmune disease mostly caused by autoantibodies against acetylcholine receptor associated with thymus abnormalities. Thymectomy has been proven to be an efficacious treatment for patients with MG, but postoperative myasthenic crisis often occurs and is a major complication. We aimed to develop and validate a simple scoring system based on clinical characteristics in the preoperative status to predict the risk of postoperative myasthenic crisis.MethodsWe studied 393 patients with MG who underwent thymectomy at 6 tertiary centers in Japan (275 patients for derivation and 118 for validation). Clinical characteristics, such as gender, age at onset and operation, body mass index, disease duration, MG subtype, severity, symptoms, preoperative therapy, operative data, and laboratory data, were reviewed retrospectively. A multivariate logistic regression with LASSO penalties was used to determine the factors associated with postoperative myasthenic crisis, and a score was assigned. Finally, the predictive score was evaluated using bootstrapping technique in the derivation and validation groups.ResultsMultivariate logistic regression identified 3 clinical factors for predicting postoperative myasthenic crisis risk: (1) vital capacity < 80%, (2) disease duration < 3 months, and (3) bulbar symptoms immediately before thymectomy. The postoperative myasthenic crisis predictive score, ranging from 0 to 6 points, had areas under the curve of 0.84 (0.66–0.96) in the derivation group and 0.80 (0.62–0.95) in the validation group.InterpretationA simple scoring system based on 3 preoperative clinical characteristics can predict the possibility of postoperative myasthenic crisis. Ann Neurol 2017;82:841–849
Isolierung und Charakterisierung eines nicht‐starren Hexamethylbenzol‐SO2+‐Komplexes
Authors: Malischewski Moritz , Seppelt Konrad 
Published: October 2017

AbstractWährend unserer Arbeiten zur Synthese des pentagonal‐pyramidalen Hexamethylbenzol‐Dikations C6(CH3)62+ isolierten wir die bislang unbekannte Verbindung C6(CH3)6SO2+ (AsF6−)2 ausgehend von der Reaktion von Hexamethylbenzol mit einer Mischung von wasserfreiem HF, AsF5 und flüssigem SO2. Diese Verbindung kann als Komplex von bisher unbekanntem SO2+ mit Hexamethylbenzol aufgefasst werden. Hier berichten wir über die Synthese, Kristallstruktur und spektroskopische Charakterisierung.
Weiche elektrochemische Sonden zum Abbilden der Verteilung von Biomarkern und injizierten Nanomaterialien in tierischem und menschlichem Gewebe
Authors: Lin Tzu‐En , Lu Yu‐Jen , Sun Chia‐Liang , Pick Horst , Chen Jyh‐Ping , Lesch Andreas , Girault Hubert H. 
Published: October 2017

AbstractDie Untersuchung von Biomarkern und injizierten theranostischen Nanomaterialien in Geweben und Organen spielt eine zentrale Rolle bei zahlreichen medizinischen Verfahren von der Krebsdiagnose bis hin zur Arzneimittelverabreichung. Zu diesem Zweck kann die elektrochemische Rastersondenmikroskopie hochaufgelöste Abbildungen der räumlichen Verteilung von wichtigen Biomolekülen ohne optische Interferenzen liefern. Wir haben weiche Mikroelektroden zum Abtasten großflächiger und dicker Gewebeschnitte und Organe, die in eine Elektrolytlösung eingetaucht sind, verwendet. Die Messung amperometrischer Ströme wurde durch den lokalen Fluss redoxaktiver Spezies ermöglicht, welche lokal und spezifisch durch Biomarker und Nanomaterialien in den Proben erzeugt wurden. Die biologischen Verteilungen von Graphenoxidnanostreifen in Mäuseleber, von prognostischen Proteinbiomarkern in menschlichem Hautkrebsgewebe und von redoxaktiven Proteinen in Mäuseherzen wurden separat abgebildet.
Controlling the Host–Guest Interaction Mode through a Redox Stimulus
Authors: Szalóki György , Croué Vincent , Carré Vincent , Aubriet Frédéric , Alévêque Olivier , Levillain Eric , Allain Magali , Aragó Juan , Ortí Enrique , Goeb Sébastien , Sallé Marc 
Published: October 2017

AbstractA proof‐of‐concept related to the redox‐control of the binding/releasing process in a host–guest system is achieved by designing a neutral and robust Pt‐based redox‐active metallacage involving two extended‐tetrathiafulvalene (exTTF) ligands. When neutral, the cage is able to bind a planar polyaromatic guest (coronene). Remarkably, the chemical or electrochemical oxidation of the host–guest complex leads to the reversible expulsion of the guest outside the cavity, which is assigned to a drastic change of the host–guest interaction mode, illustrating the key role of counteranions along the exchange process. The reversible process is supported by various experimental data (1H NMR spectroscopy, ESI‐FTICR, and spectroelectrochemistry) as well as by in‐depth theoretical calculations performed at the density functional theory (DFT) level.
Crossover between Tilt Families and Zero Area Thermal Expansion in Hybrid Prussian Blue Analogues
Authors: Phillips Anthony E. , Fortes A. Dominic 
Published: October 2017

AbstractMaterials in the family of Prussian blue analogues (C3H5N2)2K[M(CN)6], where C3H5N2 is the imidazolium ion and M=Fe, Co, undergo two phase transitions with temperature; at low temperatures the imidazolium cations have an ordered configuration (C2/c), while in the intermediate‐ and high‐temperature phases (both previously reported as
) they are dynamically disordered. We show from high‐resolution powder neutron diffraction data that the high‐temperature phase has zero area thermal expansion in the ab‐plane. Supported by Landau theory and single‐crystal X‐ray diffraction data, we re‐evaluate the space group symmetry of the intermediate‐temperature phase to
. This reveals that the low‐to‐intermediate temperature transition is due to competition between two different tilt patterns of the [M(CN)6]3− ions. Controlling the relative stabilities of these tilt patterns offers a potential means to tune the exploitable electric behaviour that arises from motion of the imidazolium guest.
Co(II), Ni(II), Cu(II) and Zn(II) complexes of aminothiazole‐derived Schiff base ligands: Synthesis, characterization, antibacterial and cytotoxicity evaluation, bovine serum albumin binding and density functional theory studies
Authors: Prakash A. , Malhotra R. 
Published: October 2017

Transition metal complexes of type M(L)2(H2O)x were synthesized, where L is deprotonated Schiff base 2,4‐dihalo‐6‐(substituted thiazol‐2‐ylimino)methylphenol derived from the condensation of aminothiazole or its derivatives with 2‐hydroxy‐3‐halobenzaldehyde and M = Co2+, Ni2+, Cu2+ and Zn2+ (x = 0 for Cu2+ and Zn2+; x = 2 for Co2+ and Ni2+). The synthesized Schiff bases and their metal complexes were thoroughly characterized using infrared, 1H NMR, electronic and electron paramagnetic resonance spectroscopies, elemental analysis, molar conductance and magnetic susceptibility measurements, thermogravimetric analysis and scanning electron microscopy. The results reveal that the bidentate ligands form complexes having octahedral geometry around Co2+ and Ni2+ metal ions while the geometry around Cu2+ and Zn2+ metal ions is four‐coordinated. The geometries of newly synthesized Schiff bases and their metal complexes were fully optimized in Gaussian 09 using 6–31 + g(d,p) basis set. Fluorescence quenching data reveal that Zn(II) and Cu(II) complexes bind more strongly to bovine serum albumin in comparison to Co(II) and Ni(II) complexes. The ligands and their complexes were evaluated for in vitro antibacterial activity against Escherichia coli ATCC 25922 (Gram negative) and Staphylococcus aureus ATCC 29213 (Gram positive) and cytotoxicity against lever hepatocellular cell line HepG2.