bluuebunny/crossref_metadata_2025_split huggingface dataset:
From Recombination Dynamics to Device Performance: Quantifying the Efficiency of Exciton Dissociation, Charge Separation, and Extraction in Bulk Heterojunction Solar Cells with Fluorine‐Substituted Polymer Donors
Authors: Gorenflot Julien , Paulke Andreas , Piersimoni Fortunato , Wolf Jannic , Kan Zhipeng , Cruciani Federico , Labban Abdulrahman El , Neher Dieter , Beaujuge Pierre M. , Laquai Frédéric 
Published: September 2017

AbstractAn original set of experimental and modeling tools is used to quantify the yield of each of the physical processes leading to photocurrent generation in organic bulk heterojunction solar cells, enabling evaluation of materials and processing condition beyond the trivial comparison of device performances. Transient absorption spectroscopy, “the” technique to monitor all intermediate states over the entire relevant timescale, is combined with time‐delayed collection field experiments, transfer matrix simulations, spectral deconvolution, and parametrization of the charge carrier recombination by a two‐pool model, allowing quantification of densities of excitons and charges and extrapolation of their kinetics to device‐relevant conditions. Photon absorption, charge transfer, charge separation, and charge extraction are all quantified for two recently developed wide‐bandgap donor polymers: poly(4,8‐bis((2‐ethylhexyl)oxy)benzo[1,2‐b:4,5‐b′]dithiophene‐3,4‐difluorothiophene) (PBDT[2F]T) and its nonfluorinated counterpart poly(4,8‐bis((2‐ethylhexyl)oxy)benzo[1,2‐b:4,5‐b′]dithiophene‐3,4‐thiophene) (PBDT[2H]T) combined with PC71BM in bulk heterojunctions. The product of these yields is shown to agree well with the devices' external quantum efficiency. This methodology elucidates in the specific case studied here the origin of improved photocurrents obtained when using PBDT[2F]T instead of PBDT[2H]T as well as upon using solvent additives. Furthermore, a higher charge transfer (CT)‐state energy is shown to lead to significantly lower energy losses (resulting in higher VOC) during charge generation compared to P3HT:PCBM.
Accuracy of the smaller superior mesenteric vein sign for the detection of acute superior mesenteric artery occlusion
Authors: Nakano Takaaki , Ito Toshitaka , Takei Tetsuhiro , Takemoto Masaaki 
Published: September 2017

AimsThe smaller superior mesenteric vein (SMV) sign is a well‐known computed tomography (CT) parameter for acute superior mesenteric artery (SMA) occlusion. This CT sign is potentially beneficial for the early diagnosis of acute SMA occlusion; however, few reports have documented this sign. The present study aimed to determine the accuracy of the smaller SMV sign for the detection of acute SMA occlusion.MethodsWe retrospectively reviewed CT images from 20 patients with acute SMA occlusion and 1,216 controls. We measured the external diameters of the SMV and SMA, and calculated the SMV/SMA diameter ratio. A ratio ≤1 indicated a positive smaller SMV sign.ResultsOf the 20 patients, 14 had the smaller SMV sign, whereas of the 1,216 controls, 88 had the smaller SMV sign. Of the 88 controls with a positive sign, 79 had apparent reasons for the decreased flow in the SMA and nine patients had no reason for the decreased flow. The sensitivity and specificity of the smaller SMV sign for acute SMA occlusion were 70% and 99.2%, respectively.ConclusionThe smaller SMV sign is an accurate and important CT parameter for the detection of acute SMA occlusion.
Eine wasserhaltige Organokaliumverbindung basierend auf Bis(4,6‐tert‐Butylbenzoxazol‐2‐yl)methanid und ihre unerwartete Hydrolysebeständigkeit
Authors: Koehne Ingo , Bachmann Sebastian , Herbst‐Irmer Regine , Stalke Dietmar 
Published: September 2017

AbstractAuf Grundlage des sterisch anspruchsvollen Ligandensystems Bis(4,6‐tBu‐benzoxazol‐2‐yl)methan konnte mit der wasserhaltigen Organokaliumverbindung [(18‐Krone‐6)K{(4,6‐tBu‐OCNC6H2)2CH}⋅H2O] (2) ein einzigartiges Beispiel einer reaktiven, wasserbeständigen Organokaliumverbindung synthetisiert werden. Darüber hinaus ist 2 ein seltener Vertreter eines Metallkomplexes, in dem ein Bis(benzoxazol‐2‐yl)methanid eine ausschließliche O‐Koordination zu einem Metallion zeigt. Verbindung 2 wurde vollständig anhand ihrer Festkörperstruktur charakterisiert. Zusätzlich wurde sein Verhalten in Lösung durch DOSY‐NMR‐ und durch NMR‐Titrationsexperimente beschrieben. Letztere zeigten eine vollständige Protonierung des Komplexes erst nach der Zugabe von 114 Äquivalenten Wasser und einer Reaktionszeit von sieben Tagen.
Reducing the Charge Carrier Transport Barrier in Functionally Layer‐Graded Electrodes
Authors: Zhang Yanyan , Malyi Oleksandr I. , Tang Yuxin , Wei Jiaqi , Zhu Zhiqiang , Xia Huarong , Li Wenlong , Guo Jia , Zhou Xinran , Chen Zhong , Persson Clas , Chen Xiaodong 
Published: September 2017

AbstractLithium‐ion batteries (LIBs) are primary energy storage devices to power consumer electronics and electric vehicles, but their capacity is dramatically decreased at ultrahigh charging/discharging rates. This mainly originates from a high Li‐ion/electron transport barrier within a traditional electrode, resulting in reaction polarization issues. To address this limitation, a functionally layer‐graded electrode was designed and fabricated to decrease the charge carrier transport barrier within the electrode. As a proof‐of‐concept, functionally layer‐graded electrodes composing of TiO2(B) and reduced graphene oxide (RGO) exhibit a remarkable capacity of 128 mAh g−1 at a high charging/discharging rate of 20 C (6.7 A g−1), which is much higher than that of a traditionally homogeneous electrode (74 mAh g−1) with the same composition. This is evidenced by the improvement of effective Li ion diffusivity as well as electronic conductivity in the functionally layer‐graded electrodes.
Structural Snapshots of α‐1,3‐Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases
Authors: Albesa‐Jové David , Sainz‐Polo M. Ángela , Marina Alberto , Guerin Marcelo E. 
Published: September 2017

AbstractGlycosyltransferases (GTs) are a key family of enzymes that catalyze the synthesis of glycosidic bonds in all living organisms. The reaction involves the transfer of a glycosyl moiety and can proceed with retention or inversion of the anomeric configuration. To date, the catalytic mechanism of retaining GTs is a topic of great controversy, particularly for those enzymes containing a putative nucleophilic residue in the active site, for which the occurrence of a double‐displacement mechanism has been suggested. We report native ternary complexes of the retaining glycosyltransferase α‐1,3‐galactosyltransferase (α3GalT) from Bos taurus, which contains such a nucleophile in the active site, in a productive mode for catalysis in the presence of its sugar donor UDP‐Gal, the acceptor substrate lactose, and the divalent cation cofactor. This new experimental evidence supports the occurrence of a front‐side substrate‐assisted SNi‐type reaction for α3GalT, and suggests a conserved common catalytic mechanism among retaining GTs.
Asymmetric Intermolecular Heck Reaction of Propargylic Acetates and Cycloalkenes to Access Fused Cyclobutenes
Authors: Jiao Zhiwei , Shi Qi , Zhou Jianrong Steve 
Published: September 2017

AbstractAn asymmetric Heck annulation of propargylic acetates with several types of cyclic olefins affords highly strained cyclobutenes in high enantioselectivity.
An Epitope‐Imprinted Biointerface with Dynamic Bioactivity for Modulating Cell–Biomaterial Interactions
Authors: Pan Guoqing , Shinde Sudhirkumar , Yeung Sing Yee , Jakštaitė Miglė , Li Qianjin , Wingren Anette Gjörloff , Sellergren Börje 
Published: September 2017

AbstractIn this study, an epitope‐imprinting strategy was employed for the dynamic display of bioactive ligands on a material interface. An imprinted surface was initially designed to exhibit specific affinity towards a short peptide (i.e., the epitope). This surface was subsequently used to anchor an epitope‐tagged cell‐adhesive peptide ligand (RGD: Arg‐Gly‐Asp). Owing to reversible epitope‐binding affinity, ligand presentation and thereby cell adhesion could be controlled. As compared to current strategies for the fabrication of dynamic biointerfaces, for example, through reversible covalent or host–guest interactions, such a molecularly tunable dynamic system based on a surface‐imprinting process may unlock new applications in in situ cell biology, diagnostics, and regenerative medicine.
Magnetless Device for Conducting Three‐Dimensional Spin‐Specific Electrochemistry
Authors: Kumar Anup , Capua Eyal , Vankayala Kiran , Fontanesi Claudio , Naaman Ron 
Published: September 2017

AbstractElectron spin states play an important role in many chemical processes. Most spin‐state studies require the application of a magnetic field. Recently it was found that the transport of electrons through chiral molecules also depends on their spin states and may also play a role in enantiorecognition. Electrochemistry is an important tool for studying spin‐specific processes and enantioseparation of chiral molecules. A new device is presented, which serves as the working electrode in electrochemical cells and is capable of providing information on the correlation of spin selectivity and the electrochemical process. The device is based on the Hall effect and it eliminates the need to apply an external magnetic field. Spin‐selective electron transfer through chiral molecules can be monitored and the relationship between the enantiorecognition process and the spin of electrons elucidated.
Non‐Uniform Optical Inscription of Actuation Domains in a Liquid Crystal Polymer of Uniaxial Orientation: An Approach to Complex and Programmable Shape Changes
Authors: Yang Rong , Zhao Yue 
Published: September 2017

AbstractAchieving complex shape change of liquid‐crystal polymer networks (LCNs) under stimulation generally requires spatial configuration of the orientation direction, that is, patterned directors, of liquid crystal monomers prior to polymerization by means of treated surfaces. A strategy is demonstrated that needs only the simple uniaxial orientation of mesogens (monodomain) induced by mechanical stretching of LCNs. Using a rationally designed liquid crystal polymer, photocrosslinking is utilized to pattern or spatially organize the actuating monodomains in order to generate a differential contractile and/or extensional force field required for targeted shape change. Moreover, the approach enables versatile actuation modes and allows multiple shape changes to be programmed on a single piece of the polymer. This important feature is demonstrated with a specimen cut to have eight strips that, upon thermal stimulation, simultaneously display eight types of shape morphing.
A Smart Metal–Organic Framework Nanomaterial for Lung Targeting
Authors: Simon‐Yarza Teresa , Giménez‐Marqués Mónica , Mrimi Rhizlaine , Mielcarek Angelika , Gref Ruxandra , Horcajada Patricia , Serre Christian , Couvreur Patrick 
Published: September 2017

AbstractDespite high morbidity and mortality associated with lung diseases, addressing drugs towards lung tissue remains a pending task. Particle lung filtration has been proposed for passive lung targeting and drug delivery. However, toxicity issues derived from the long‐term presence of the particles must be overcome. By exploiting some of the ignored properties of nanosized metal–organic frameworks it is possible to achieve impressive antitumoral effects on experimental lung tumors, even without the need to engineer the surface of the material. In fact, it was discovered that, based on unique pH‐responsiveness and reversible aggregation behaviors, nanoMOF was capable of targeting lung tissue. At the neutral pH of the blood, the nanoMOFs form aggregates with the adequate size to be retained in lung capillaries. Within 24 h they then disaggregate and release their drug payload. This phenomenon was compatible with lung tissue physiology.
Nickel‐Catalyzed N‐Alkylation of Acylhydrazines and Arylamines Using Alcohols and Enantioselective Examples
Authors: Yang Peng , Zhang Caili , Ma Yu , Zhang Caiyun , Li Aijie , Tang Bo , Zhou Jianrong Steve 
Published: September 2017

AbstractA borrowing‐hydrogen reaction between amines and alcohols is an atom‐economic way to prepare alkylamines, ideally with water as the sole byproduct. Herein, nickel catalysts are used for direct N‐alkylation of hydrazides and arylamines using racemic alcohols. Moreover, a nickel catalyst of (S)‐binapine was used for an asymmetric N‐alkylation of benzohydrazide with racemic benzylic alcohols.
Glass fiber reinforced and β‐nucleating agents regulated polypropylene: A complementary approach and a case study
Authors: Cui Linfang , Wang Penglei , Zhang Yagang , Zhou Xin , Xu Lu , Zhang Lan , Zhang Letao , Liu Li , Guo Xinfeng 
Published: September 2017

ABSTRACTA two‐step process for preparing glass fibers (GFs) reinforced β‐nucleated PP composites was designed and developed. The complementary approach combined GFs reinforcement and β‐nucleating agents regulation using N,N′‐dicyclohexyl‐2,6‐napthalene‐dicarboxamide (TMB‐5) in the presence of maleic anhydride grafted polypropylene (PP‐g‐MA) through extrusion blending. The influence of TMB‐5 and GFs on the mechanical properties and crystallization behavior of PP was studied by mechanical test, wide‐angle X‐ray diffraction, differential scanning calorimetry, and scanning electron microscopy. A distinct complementary effect of GFs and β‐nucleating agent TMB‐5 on mechanical properties and crystallization behavior of PP was observed. Results showed that addition of 20 wt % GFs and 0.1 wt % TMB‐5 into PP matrix with the two‐step process could lead to significant increase to its mechanical properties: specifically 64.8% improvement in tensile strength, 107.1% enhancement in flexural modulus, and 167.7% increasement in notched impact strength compared to that of neat PP. Furthermore, with the combination of TMB‐5 and GFs, not only led to promoted interfacial adhesion, but also significantly improved overall comprehensive mechanical properties. The complementary process provided an alternative approach for the development of PP with balanced toughnesss and stiffness. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45768.
Side‐Chain‐Directed Dispersion of MoS2 Nanosheets by V‐Shaped Polyaromatic Compounds
Authors: Matsumoto Atsushi , Jono Keisuke , Akita Munetaka , Yoshizawa Michito 
Published: September 2017

AbstractBulk molybdenum disulfide (MoS2) itself is virtually insoluble in common organic solvents because of the tight stacks of multiple MoS2 nanosheets. Here we report that V‐shaped polyaromatic compounds with non‐ionic side chains can efficiently exfoliate and disperse the inorganic nanosheets. Simple grinding and sonication (less than total 1 h) of MoS2 powder with the V‐shaped compounds gave rise to large MoS2 nanosheets highly dispersed in NMP through efficient host‐guest S–π interactions. DLS and AFM analyses revealed that the lateral sizes (ca. 150–270 nm) and thicknesses (ca. 2–8 nm) of the products depend on the identity of the non‐ionic side chains on the V‐shaped dispersant.
Transition‐Metal‐Free Reaction of Aryltrimethylammonium Iodides with Arylzinc Reagents
Authors: Dai Wei‐Can , Wang Zhong‐Xia 
Published: September 2017

AbstractReaction of aryltrimethylammonium iodides with arylzinc chlorides in the absence of a transition‐metal catalyst to form biaryl compounds was performed under mild conditions. The reaction was suitable for a broad scope of substrates and exhibited good compatibility of functional groups. The Mg2+ ion was demonstrated to markedly promote the reaction.
ℓ2 Gain Estimation and Visualization of A Control Parameter Set in 3D Space Using Plant Response Data
Authors: Saeki Masami 
Published: September 2017

AbstractIn this paper, a novel parameter space approach that uses volume rendering is proposed to visualize controller parameter sets that consist of three controller parameters. An off‐line design method for robust control using plant response data is also studied. A solution set with equal ℓ2 gain can be visualized as isosurfaces in three‐dimensional space, and the designer can visually select an appropriate parameter. This numerical method is applicable to many practical specifications, in contrast to analytical methods based on solving equations. An estimation method based on the extension theorem and a method using bandpass filters are both considered as possible methods for estimating the ℓ2 gain of the sensitivity functions when using grid points on the order of tens of thousands to create the volume data.The former method is superior to the latter with respect to accuracy but impractical with respect to computational load. The latter method is hence practical, because the computing time is reduced to less than 0.05 s for about 300,000 grid points by parallel computation with a graphical processing unit.
Novel ATP‐competitive Akt inhibitor afuresertib suppresses the proliferation of malignant pleural mesothelioma cells
Authors: Yamaji Masayuki , Ota Akinobu , Wahiduzzaman Md , Karnan Sivasundaram , Hyodo Toshinori , Konishi Hiroyuki , Tsuzuki Shinobu , Hosokawa Yoshitaka , Haniuda Masayuki 
Published: September 2017

AbstractMalignant pleural mesothelioma (MPM), an asbestos‐related occupational disease, is an aggressive and incurable tumor of the thoracic cavity. Despite recent advances in MPM treatment, overall survival of patients with MPM is very low. Recent studies have implicated that PI3K/Akt signaling is involved in MPM cell survival and development. To investigate the effects of Akt inhibitors on MPM cell survival, we examined the effects of nine selective Akt inhibitors, namely, afuresertib, Akti‐1/2, AZD5363, GSK690693, ipatasertib, MK‐2206, perifosine, PHT‐427, and TIC10, on six MPM cell lines, namely, ACC‐MESO‐4, Y‐MESO‐8A, MSTO‐211H, NCI‐H28, NCI‐H290, and NCI‐H2052, and a normal mesothelial cell line MeT‐5A. Comparison of IC50 values of the Akt inhibitors showed that afuresertib, an ATP‐competitive specific Akt inhibitor, exerted tumor‐specific effects on MPM cells. Afuresertib significantly increased caspase‐3 and caspase‐7 activities and apoptotic cell number among ACC‐MESO‐4 and MSTO‐211H cells. Moreover, afuresertib strongly arrested the cell cycle in the G1 phase. Western blotting analysis showed that afuresertib increased the expression of p21WAF1/CIP1 and decreased the phosphorylation of Akt substrates, including GSK‐3β and FOXO family proteins. These results suggest that afuresertib‐induced p21 expression promotes G1 phase arrest by inducing FOXO activity. Furthermore, afuresertib significantly enhanced cisplatin‐induced cytotoxicity. Interestingly, results of gene set enrichment analysis showed that afuresertib modulated the expression E2F1 and MYC, which are associated with fibroblast core serum response. Together, these results suggest that afuresertib is a useful anticancer drug for treating patients with MPM.
Bone marrow biopsy superiority over PET/CT in predicting progression‐free survival in a homogeneously‐treated cohort of diffuse large B‐cell lymphoma
Authors: Chen‐Liang Tzu‐Hua , Martín‐Santos Taida , Jerez Andrés , Rodríguez‐García Guillermo , Senent Leonor , Martínez‐Millán Cristina , Muiña Begoña , Orero Mayte , Teruel Anabel , Martín Alejandro , Gómez‐Espuch Joaquín , Kennedy Kyra , Benet Carmen , Raya José María , Fernández‐González Marta , de la Cruz Fátima , Guinot Marta , Villegas Carolina , Ballester Isabel , Baile Mónica , Moya María , López‐Jiménez Javier , Frutos Laura , Navarro José Luis , Uña Jon , Fernández‐López Rosa , Igua Carolina , Contreras José , Sánchez‐Vañó Raquel , Cozar María del Puig , Tamayo Pilar , Mucientes Jorge , Sánchez‐Blanco José Javier , Pérez‐Ceballos Elena , Ortuño Francisco José 
Published: September 2017

AbstractSeveral studies have reported uneven results when evaluating the prognostic value of bone marrow biopsy (BMB) and PET/CT as part of the staging of diffuse large B‐cell lymphoma (DLBCL). The heterogeneity of the inclusion criteria and not taking into account selection and collinearity biases in the analysis models might explain part of these discrepancies. To address this issue we have carried a retrospective multicenter study including 268 DLBCL patients with a BMB and a PET/CT available at diagnosis where we estimated both the prognosis impact and the diagnostic accuracy of each technique. Only patients treated with R‐CHOP/21 as first line (n = 203) were included in the survival analysis. With a median follow‐up of 25 months the estimated 3‐year progression‐free survival (PFS) and overall survival (OS) were 76.3% and 82.7% respectively. In a multivariate analysis designed to avoid a collinearity bias with IPI categories, BMB‐BMI [bone marrow involvement](+) (HR: 3.6) and ECOG PS > 1 (HR: 2.9) were independently associated with a shorter PFS and three factors, age >60 years old (HR: 2.4), ECOG PS >1 (HR: 2.4), and abnormally elevated B2‐microglobulin levels (HR: 2.2) were independently associated with a shorter OS. In our DLBCL cohort, treated with a uniform first‐line chemotherapy regimen, BMI by BMB complemented performance status in predicting those patients with a higher risk for relapse or progression. In this cohort BMI by PET/CT could not independently predict a shorter PFS and/or OS.
Visible‐Light‐Assisted Cobalt‐2‐(hydroxyimino)‐1‐phenylpropan‐1‐one Complex Catalyzed Pd/Cu‐Free Sonogashira–Hagihara Cross‐Coupling Reaction
Authors: Song Jin‐Yi , Zhou Xuan , Song He , Liu Yang , Zhao Hong‐Yan , Sun Zhi‐Zhong , Chu Wen‐Yi 
Published: September 2017

AbstractAn effective and inexpensive strategy for the Co(C9H9NO2)3 catalyzed Sonogashira–Hagihara cross‐coupling reaction of aryl bromides containing electron‐rich and electron‐poor substituents with terminal alkynes was demonstrated. The reaction proceeded smoothly in the presence of ethylene glycol as additive and K2CO3 as base in DMF under visible light illumination, and 23 alkyne products were afforded in moderate to excellent yields, including four new diaryl ethynes. Compared with the high‐cost palladium catalyst, cobalt is an inexpensive catalyst with a preponderance of technologized production, and the palladium/copper‐free catalytic system not only provided an efficient process with mild reaction conditions, but also enhanced the substrate group tolerance.
Effect of 1‐Methylimidazole on CO2 Absorption by Diethylenetriamine Aqueous Solutions
Authors: You Jong Kyun , Lee Hwa Young , Hong Yeon Ki 
Published: September 2017

AbstractPhase‐splitting absorbents represent a promising technology in relation to the low energy levels required during the CO2 capture process. 1‐Methylimidazole was added to a diethylenetriamine (DETA) aqueous solution for high CO2 loading via phase splitting of absorbents during CO2 absorption. Phase splitting was observed during the absorption process when the CO2 loading reached a value suitable for the mixture of DETA, 1‐methylimidazole, and water. The distribution of individual components in each phase was determined according to the total organic carbon and gas chromatography. DETA and CO2 were concentrated in the bottom phase, 1‐methylimidazole mostly in the top phase. Phase splitting during CO2 absorption was mainly due to the solubility limitation of DETA carbamate into 1‐methylimidazole.