bluuebunny/crossref_metadata_2025_split huggingface dataset:
Activatable Near‐Infrared Probe for Fluorescence Imaging of γ‐Glutamyl Transpeptidase in Tumor Cells and In Vivo
Authors: Luo Zhiliang , Feng Liandong , An Ruibing , Duan Guanfu , Yan Runqi , Shi Hua , He Jian , Zhou Zhengyang , Ji Changge , Chen Hong‐Yuan , Ye Deju 
Published: June 2017

Abstractγ‐Glutamyl transpeptidase (GGT) is a cell‐membrane‐bound enzyme that is involved in various physiological and pathological processes and is regarded as a potential biomarker for many malignant tumors, precise detection of which is useful for early cancer diagnosis. Herein, a new GGT‐activatable near‐infrared (NIR) fluorescence imaging probe (GANP) by linking of a GGT‐recognitive substrate γ‐glutamate (γ‐Glu) and a NIR merocyanine fluorophore (mCy‐Cl) with a self‐immolative linker p‐aminobenzyl alcohol (PABA) is reported. GANP was stable under physiological conditions, but could be efficiently activated by GGT to generate ≈100‐fold enhanced fluorescence, enabling high sensitivity (detection limit of ≈3.6 mU L−1) and specificity for the real‐time imaging of GGT activity as well as rapid evaluation of the inhibition efficacy of GGT inhibitors in living tumor cells. Notably, the deep tissue penetration ability of NIR fluorescence could further allow GANP to image GGT in frozen tumor tissue slices with large penetration depth (>100 μm) and in xenograft tumors in living mice. This GGT activatable NIR fluorescence imaging probe could facilitate the study and diagnosis of other GGT‐correlated diseases in vivo.
Cation Dependence of the Dimerization Enthalpy for A2[tetracyanoethylene]2 (A=NMe4, Mepy, NEt4) Possessing a Long, Multicenter Bond
Authors: Graham Adora G. , Fedin Matvey V. , Miller Joel S. 
Published: June 2017

Abstract[TCNE].− (TCNE=tetracyanoethylene) has been isolated as D2h π–[TCNE]22− possessing a long, 2.9 Å multicenter 2‐electron‐4‐center (2e−/4c) C−C bond, and as C2 π–[TCNE]22− possessing a longer, 3.04 Å multicenter 2e−/6c (4 C+2 N atoms) bond. Temperature‐dependent UV/Vis spectroscopic measurements in 2‐methyltetrahydrofuran (MeTHF) has led to the determination of the dimerization, 2[TCNE].−⇌π–[TCNE]22−, equilibrium constants, Keq(T), [[TCNE]22−]/[[TCNE].−]2, enthalpy, ΔH, and entropy, ΔS, of dimerization for [Mepy]2[TCNE]2 (Mepy=N‐methylpyridinium, H3CNC5H5+) possessing D2h π–[TCNE]22− and [NMe4]2[TCNE]2 possessing C2 π–[TCNE]22− conformations in the solid state; however, both form D2h π–[TCNE]22− in MeTHF solution. Based on ΔH=−3.6±0.1 kcal mol−1 (−15.2 kJ mol−1), and ΔS=−11±1 eu (−47 J mol−1 K−1) and ΔH=−2.4±0.2 kcal mol−1 (−10.2 kJ mol−1), and ΔS=−8±1 eu (−32 J mol−1 K−1) in MeTHF for [NMe4]2[TCNE]2 and [Mepy]2[TCNE]2, respectively, the calculated Keq(298 K) are 1.6 and 1.3 m−1, respectively. The observed Keq (145 K) are 3 and 2 orders of magnitude greater for [NMe4]2[TCNE]2 and [Mepy]2[TCNE]2, respectively. The Keq(130 K) is 4470, 257, ≈0.8, and ≪0.1 m−1 for [NMe4]2[TCNE]2, [Mepy]2[TCNE]2, [NEt4]2[TCNE]2, and [N(nBu)4]2[TCNE]2, respectively, decreasing with increasing cation size. At standard conditions and below ambient temperature the equilibrium favors the dimer for the NMe4+ and Mepy+ cations. From the decreasing enthalpy, NMe4+>Mepy+, along with the decrease in dimer formation Keq(T) as NMe4+>Mepy+>NEt4+>N(nBu)4+, the dimer bond energy decreases with increasing cation size in MeTHF. This is attributed to a decrease in the [A]+⋅⋅⋅[TCNE]− attractive interactions with increasing cation size. Solid state UV/Vis spectroscopic determinations of [NMe4]2[TCNE]2 are reported and compared to D2h π–[TCNE]22− conformers. The feasibility and limitations of temperature‐dependent electron paramagnetic resonance (EPR) measurements for the determination of Keq(T) are also discussed.
Vertical‐Aligned Li2S–Graphene Encapsulated within a Carbon Shell as a Free‐Standing Cathode for Lithium–Sulfur Batteries
Authors: Wang Donghuang , Xia Xinhui , Wang Yadong , Xie Dong , Zhong Yu , Wu Jianbo , Wang Xiuli , Tu Jiangping 
Published: June 2017

AbstractConstruction of a novel matrix with both high conductivity and an excellent confinement effect for polysulfides is of great importance for developing high‐performance lithium–sulfur (Li‐S) batteries. In this work, we have developed a double‐modification strategy to integrate lithium sulfide (Li2S) into a conductive composite network consisting of vertical graphene (VG) arrays and an amorphous carbon shell, forming an integrated cathode (VG/Li2S‐C). Facile liquid‐solution/evaporation methods in combination with chemical vapor deposition were successfully adopted for preparation of the above cathode. Due to the enhanced electrical conductivity and noticeable blocking effect for the shuttle of polysulfides, the binder‐free flexible VG/Li2S‐C cathode exhibits high rate performance and reinforced cycles (656.2 mAh g−1 after 100 cycles). The pronounced electrochemical performance is ascribed to the unique architecture with a coherent conductive network of VG and the carbon shell, which not only provides a conductive network for fast reaction kinetics, but also forms a durable protective shield to suppress the shuttle of polysulfides. Our research further demonstrates the synergistic effectiveness by means of inner and outer carbon matrixes for electrochemical enhancement of Li‐S batteries.
[OsF6]x−: Molecular Models for Spin‐Orbit Entangled Phenomena
Authors: Pedersen Kasper S. , Woodruff Daniel N. , Singh Saurabh Kumar , Tressaud Alain , Durand Etienne , Atanasov Mihail , Perlepe Panagiota , Ollefs Katharina , Wilhelm Fabrice , Mathonière Corine , Neese Frank , Rogalev Andrei , Bendix Jesper , Clérac Rodolphe 
Published: June 2017

AbstractHeavy 5d elements, like osmium, feature strong spin‐orbit interactions which are at the origin of exotic physical behaviors. Revealing the full potential of, for example, novel osmium oxide materials (“osmates”) is however contingent upon a detailed understanding of the local single‐ion properties. Herein, two molecular osmate analogues, [OsF6]2− and [OsF6]−, are reported as model systems for Os4+ and Os5+ centers found in oxides. Using X‐ray absorption spectroscopy (XAS) and X‐ray magnetic circular dichroism (XMCD) techniques, combined with state‐of‐the‐art ab initio calculations, their ground state was elucidated; mirroring the osmium electronic structure in osmates. The realization of such molecular model systems provides a unique chemical playground to engineer materials exhibiting spin‐orbit entangled phenomena.
The Hospital Anxiety and Depression Scale (HADS) and the 9‐item Patient Health Questionnaire (PHQ‐9) as screening instruments for depression in patients with cancer
Authors: Hartung Tim J. , Friedrich Michael , Johansen Christoffer , Wittchen Hans‐Ulrich , Faller Herman , Koch Uwe , Brähler Elmar , Härter Martin , Keller Monika , Schulz Holger , Wegscheider Karl , Weis Joachim , Mehnert Anja 
Published: June 2017

BACKGROUNDDepression screening in patients with cancer is recommended by major clinical guidelines, although the evidence on individual screening tools is limited for this population. Here, the authors assess and compare the diagnostic accuracy of 2 established screening instruments: the depression modules of the 9‐item Patient Health Questionnaire (PHQ‐9) and the Hospital Anxiety and Depression Scale (HADS‐D), in a representative sample of patients with cancer.METHODSThis multicenter study was conducted with a proportional, stratified, random sample of 2141 patients with cancer across all major tumor sites and treatment settings. The PHQ‐9 and HADS‐D were assessed and compared in terms of diagnostic accuracy and receiver operating characteristic (ROC) curves forDiagnostic and Statistical Manual of Mental Disorders, 4th editiondiagnosis of major depressive disorder using the Composite International Diagnostic Interview for Oncology as the criterion standard.RESULTSThe diagnostic accuracy of the PHQ‐9 and HADS‐D was fair for diagnosing major depressive disorder, with areas under the ROC curves of 0.78 (95% confidence interval, 0.76‐0.79) and 0.75 (95% confidence interval, 0.74‐0.77), respectively. The 2 questionnaires did not differ significantly in their areas under the ROC curves (P= .15). The PHQ‐9 with a cutoff score ≥7 had the best screening performance, with a sensitivity of 83% (95% confidence interval, 78%‐89%) and a specificity of 61% (95% confidence interval, 59%‐63%). The American Society of Clinical Oncology guideline screening algorithm had a sensitivity of 44% (95% confidence interval, 36%‐51%) and a specificity of 84% (95% confidence interval, 83%‐85%).CONCLUSIONSIn patients with cancer, the screening performance of both the PHQ‐9 and the HADS‐D was limited compared with a standardized diagnostic interview. Costs and benefits of routinely screening all patients with cancer should be weighed carefully.Cancer2017;123:4236–4243.©2017 American Cancer Society.
Socioeconomic factors affect the selection of proton radiation therapy for children
Authors: Shen Colette J. , Hu Chen , Ladra Matthew M. , Narang Amol K. , Pollack Craig E. , Terezakis Stephanie A. 
Published: June 2017

BACKGROUNDProton radiotherapy remains a limited resource despite its clear potential for reducing radiation doses to normal tissues and late effects in children in comparison with photon therapy. This study examined the impact of race and socioeconomic factors on the use of proton therapy in children with solid malignancies.METHODSThis study evaluated 12,101 children (age ≤ 21 years) in the National Cancer Data Base who had been diagnosed with a solid malignancy between 2004 and 2013 and had received photon‐ or proton‐based radiotherapy. Logistic regression analysis was used to evaluate patient, tumor, and socioeconomic variables affecting treatment with proton radiotherapy versus photon radiotherapy.RESULTSEight percent of the patients in the entire cohort received proton radiotherapy, and this proportion increased between 2004 (1.7%) and 2013 (17.5%). Proton therapy was more frequently used in younger patients (age ≤ 10 years; odds ratio [OR], 1.9; 95% confidence interval [CI], 1.6‐2.2) and in patients with bone/joint primaries and ependymoma, medulloblastoma, and rhabdomyosarcoma histologies (P < .05). Patients with metastatic disease were less likely to receive proton therapy (OR, 0.4; 95% CI, 0.3‐0.6). Patients with private/managed care were more likely than patients with Medicaid or no insurance to receive proton therapy (P < .0001). A higher median household income and educational attainment were also associated with increased proton use (P < .001). Patients treated with proton therapy versus photon therapy were more likely to travel more than 200 miles (13% vs 5%; P < .0001).CONCLUSIONSSocioeconomic factors affect the use of proton radiotherapy in children. Whether this disparity is related to differences in the referral patterns, the knowledge of treatment modalities, or the ability to travel for therapy needs to be further clarified. Improving access to proton therapy in underserved pediatric populations is essential. Cancer 2017;123:4048‐56. © 2017 American Cancer Society.
Catlas: An magnetic resonance imaging‐based three‐dimensional cortical atlas and tissue probability maps for the domestic cat (Felis catus)
Authors: Stolzberg Daniel , Wong Carmen , Butler Blake E. , Lomber Stephen G. 
Published: June 2017

AbstractBrain atlases play an important role in effectively communicating results from neuroimaging studies in a standardized coordinate system. Furthermore, brain atlases extend analysis of functional magnetic resonance imaging (MRI) data by delineating regions of interest over which to evaluate the extent of functional activation as well as measures of inter‐regional connectivity. Here, we introduce a three‐dimensional atlas of the cat cerebral cortex based on established cytoarchitectonic and electrophysiological findings. In total, 71 cerebral areas were mapped onto the gray matter (GM) of an averaged T1‐weighted structural MRI acquired at 7 T from eight adult domestic cats. In addition, a nonlinear registration procedure was used to generate a common template brain as well as GM, white matter, and cerebral spinal fluid tissue probability maps to facilitate tissue segmentation as part of the standard preprocessing pipeline for MRI data analysis. The atlas and associated files can also be used for planning stereotaxic surgery and for didactic purposes.
Experimental Determination of the Molar Absorption Coefficient of n‐Hexane Adsorbed on High‐Silica Zeolites
Authors: Gatti Giorgio , Olivas Olivera Diana F. , Sacchetto Vittoria , Cossi Maurizio , Braschi Ilaria , Marchese Leonardo , Bisio Chiara 
Published: June 2017

AbstractDetermination of the molar absorption coefficients of the CH3 bending mode at
=1380 cm−1 (ϵ1380) of n‐hexane adsorbed from the gas phase on two different dealuminated zeolites is derived by a combination of IR spectroscopy and microgravimetric analysis. High‐silica zeolite Y (HSZ‐Y) and zeolite ZSM‐5 (with SiO2/Al2O3 ratios of 200 and 280, respectively) with different textural and surface features are selected to evaluate the effect of the pore structure and architecture on the value of ϵ1380 of the adsorbed n‐hexane. Experimental data indicate that the molecule experiences a different adsorption environment inside zeolites; thus resulting in a significant change of the dipole moment and very different ϵ1380 values: (0.278±0.018) cm μmol−1 for HSZ‐Y and (0.491±0.032) cm μmol−1 for ZSM‐5. Experimental data are also supported by computational modeling, which confirms the effect of different matrices on the IR absorption intensity. This study reveals that the use of probe molecules for quantitative measurements of surface sites has to be judiciously adopted, especially if adsorption occurs in the restricted spaces of microporous materials.
π⋅⋅⋅H+⋅⋅⋅π Hydrogen Bonds and Their Lithium and Gold Analogues: MP2 and CASPT2 Calculations
Authors: Grabowski Sławomir J. , Ruipérez Fernando 
Published: June 2017

AbstractMolecular systems in which two simple π‐electron species, acetylene and ethylene, are linked by a cation located between them are analyzed in this study. In particular, the C2H2⋅⋅⋅M+⋅⋅⋅C2H2, C2H4⋅⋅⋅M+⋅⋅⋅C2H2, and C2H4⋅⋅⋅M+⋅⋅⋅C2H4complexes (M+=H+, Li+, Au+) are calculated with the use of MP2 and CASPT2 methods. The Quantum Theory of Atoms in Molecules (QTAIM), energy decomposition analysis (EDA), and Natural Bond Orbital (NBO) approaches are applied to deepen the understanding of the nature of M+⋅⋅⋅π interactions in these complexes. It is found that the interactions in gold and proton complexes are characterized by at least partial covalency, whereas interactions in lithium complexes are rather electrostatic in nature.
Shortest Double‐Walled Carbon Nanotubes Composed of Cycloparaphenylenes
Authors: Hashimoto Sigma , Iwamoto Takahiro , Kurachi Daisuke , Kayahara Eiichi , Yamago Shigeru 
Published: June 2017

AbstractInvited for this month's cover is the group of Prof. Dr. Shigeru Yamago at the Kyoto University (Japan). The image shows the host–guest possibilities of cycloparaphenylenes (CPPs) of different sizes. Size selective interaction between [n]CPP and [n+5]CPP affords a host–guest complex, [n+5]CPP⊃[n]CPP, which is the shortest double‐walled armchair carbon nanotube. The size‐selective complex formation illustrates the importance of van der Waals interactions. A ternary complex, [15]CPP⊃[10]CPP⊃C60, also forms from [15]CPP, [10]CPP, and C60. Read the full text of the article at 10.1002/cplu.201700097.
Metal‐Free Oxidation of Glycerol over Nitrogen‐Containing Carbon Nanotubes
Authors: Gupta Neeraj , Khavryuchenko Oleksiy , Villa Alberto , Su Dangsheng 
Published: June 2017

AbstractNitrogen rich carbon nanotubes have been used as a metal free catalyst for the conversion of glycerol into dihydroxyacetone using tert‐butyl hydroperoxide as an oxidant. Pyridine nitrogen groups embedded in a carbon matrix are identified as active sites for the reaction. Computational studies have demonstrated that oxidation of pyridine groups to pyridine oxime followed by hydrogen abstraction from secondary alcohol is likely responsible for the oxidation process.
Chaotic cellular neural network‐based true random number generator
Authors: Karakaya Barış , Çelik Vedat , Gülten Arif 
Published: June 2017

SummaryThis paper presents implementation of a chaotic cellular neural network (CNN)‐based true random number generator on a field programmable gate array (FPGA) board. In this implementation, discrete time model of the chaotic CNN is used as the entropy source. Random number series are generated for three scenarios. Obtained number series are tested by using NIST 800.22 statistical test suite. Also, the scale index technique is carried out for these three scenarios to determine the degree of non‐periodicity for key stream. Copyright © 2017 John Wiley & Sons, Ltd.
An amazing cause of false PET positivity: Diagnosed after a lung cancer surgery
Authors: Ozturk Ayperi , Aktas Zafer , Yilmaz Aydin , Tari Pinar , Demirag Funda 
Published: June 2017

AbstractFluorodeoxyglucose positron emission tomography/computed tomography (FDG PET/CT) has an effective role in both diagnosis and management of patients with lung cancer. There are many reasons could cause false positivity on PET/CT.A 60‐year‐old man was admitted a mass on thorax CT and diagnosed as squamous cell carcinoma. Lobectomy with lymph node dissection was performed after evaluation of distant metastases. There were pathological lymph nodes detected on PET/CT at six month following period. Endobronchial ultrasonography guided transbronchial needle aspiration was performed for differantial diagnosis. The pathologic diagnosis was granuloma which developed in response to suture material. We interpreted this granulomatous reaction as gossypiboma which developed against long‐left or forgotten suture material. In conclusion, based on this case, gossypiboma (or granulomatous inflammation in response to foreign bodies) should be also considered in differential diagnosis of intrathoracic lymph nodes with PET positivity in a previously operated patient.
Rab11 is required for tubulogenesis of Malpighian tubules in Drosophila melanogaster
Authors: Choubey Praween Kumar , Roy Jagat Kumar 
Published: June 2017

SummaryIntracellular vesicular trafficking is one of the important tools in maintaining polarity, adhesion, and shape of epithelial cells. Rab11, a subfamily of the Ypt/Rab gene family of ubiquitously expressed GTPases and a molecular marker of recycling endosomes, transports different components of plasma membrane. Here, we report that Rab11 affects tubulogenesis of Malpighian tubules (MTs). MTs are simple polarized epithelial tubular structures, considered as functional analogue of human kidney. Rab11 has pleiotropic effects on MTs development as down‐regulation of Rab11 in principal cells (PCs) of MTs from embryonic stages of development results in reduced endoreplication, clustering of cells, disorganized cytoskeleton, and disruption of polarity leading to shortening of MTs in third instar larvae. Rab11 is also required for proper localization of different transporters in PCs, essential for physiological activity of MTs. Collectively, our data suggest that Rab11 plays a key role in the process of tubulogenesis of MTs in Drosophila.
Tuning the Fermi Level of TiO2 Electron Transport Layer through Europium Doping for Highly Efficient Perovskite Solar Cells
Authors: Xu Zhe , Wu Jihuai , Wu Tongyue , Bao Quanlin , He Xin , Lan Zhang , Lin Jianming , Huang Miaoliang , Huang Yunfang , Fan Leqin 
Published: June 2017

AbstractThe electron‐transport layer (ETL) plays an important role in the photovoltaic performance of perovskite solar cells (PSCs), and the energy level match of functional layers can appreciably improve the power conversion efficiency (PCE) of PSCs. Herein, we choose the rare‐earth europium ion Eu3+ to dope a mesoporous TiO2 ETL. X‐ray diffraction, field‐emission scanning electron microscopy, ultraviolet photoelectron spectroscopy, time‐resolved photoluminescence, and incident‐photo‐to‐current conversion efficiency experiments were performed to characterize the material. It is found that the Eu doping does not change the morphology, grain size, and crystallinity of TiO2. However, Eu doping upshifts the Fermi level of TiO2 ETL by scavenging oxygen atoms and introducing oxygen vacancies on the surface of the layer, which results in low series resistance and fast charge transport in the ETLs, which in turn increases the power conversion efficiency of the device from 15.85 % (undoped PSC) to 17.90 % (Eu‐doped PSC). This work demonstrates an effective approach for enhancing the performance of PSCs by rare‐earth doping.
Analytical fragility assessment using unscaled ground motion records
Authors: Jalayer Fatemeh , Ebrahimian Hossein , Miano Andrea , Manfredi Gaetano , Sezen Halil 
Published: June 2017

SummaryIt is desirable that nonlinear dynamic analyses for structural fragility assessment are performed using unscaled ground motions. The widespread use of a simple dynamic analysis procedure known as Cloud Analysis, which uses unscaled records and linear regression, has been impeded by its alleged inaccuracies. This paper investigates fragility assessment based on Cloud Analysis by adopting, as the performance variable, a scalar demand to capacity ratio that is equal to unity at the onset of limit state. It is shown that the Cloud Analysis, performed based on a careful choice of records, leads to reasonable and efficient fragility estimates. There are 2 main rules to keep in mind for record selection: to make sure that a good portion of the records leads to a demand to capacity ratio greater than unity and that the dispersion in records' seismic intensity is considerable. An inevitable consequence of implementing these rules is that one often needs to deal with the so‐called collapse cases. To formally consider the collapse cases, a 5‐parameter fragility model is proposed that mixes the simple regression in the logarithmic scale with logistic regression. The joint distribution of fragility parameters can be obtained by adopting a Markov Chain Monte Carlo simulation scheme leading directly to the fragility and its confidence intervals. The resulting fragility curves compare reasonably with those obtained from the Incremental Dynamic Analysis and Multiple Stripe Analysis with (variable) conditional spectrum–compatible suites of records at different intensity levels for 3 older reinforced concrete frames with shear‐, shear‐flexure‐, and flexure‐dominant behavior.
Intrinsic connectivity of hippocampal subfields in normal elderly and mild cognitive impairment patients
Authors: de Flores Robin , Mutlu Justine , Bejanin Alexandre , Gonneaud Julie , Landeau Brigitte , Tomadesso Clémence , Mézenge Florence , de La Sayette Vincent , Eustache Francis , Chételat Gaël 
Published: June 2017

AbstractHippocampal connectivity has been widely described but connectivity specificities of hippocampal subfields and their changes in early AD are poorly known. The aim of this study was to highlight hippocampal subfield networks in healthy elderly (HE) and their changes in amnestic patients with mild cognitive impairment (aMCI). Thirty‐six HE and 27 aMCI patients underwent resting‐state functional MRI scans. Specific intrinsic connectivity of bilateral CA1, SUB (subiculum), and CA2/3/4/DG was identified in HE (using seeds derived from manually delineation on high‐resolution scans) and compared between HE and aMCI. Compared to the other subfields, CA1 was more strongly connected to the amygdala and occipital regions, CA2/3/4/DG to the left anterior cingulate cortex, temporal, and occipital regions, and SUB to the angular, precuneus, putamen, posterior cingulate, and frontal regions. aMCI patients showed reduced connectivity within the SUB network (with frontal and posterior cingulate regions). Our study highlighted for the first time three specific and distinct hippocampal subfield functional networks in HE, and their alterations in aMCI. These findings are important to understand AD specificities in both cognitive deficits and lesion topography, given the role of functional connectivity in these processes. Hum Brain Mapp 38:4922–4932, 2017. © 2017 Wiley Periodicals, Inc.