bluuebunny/crossref_metadata_2025 huggingface dataset:
Concurrent Photocatalytic Hydrogen Generation and Dye Degradation Using MIL‐125‐NH2 under Visible Light Irradiation
Authors: Kampouri Stavroula , Nguyen Tu N. , Spodaryk Mariana , Palgrave Robert G. , Züttel Andreas , Smit Berend , Stylianou Kyriakos C.
Published: November 2018

The impact of different transition metal‐based co‐catalysts toward photocatalytic water reduction when they are physically mixed with visible‐light active MIL‐125‐NH2 is first systematically studied. All co‐catalyst/MIL‐125‐NH2 photocatalytic systems are found to be highly stable after photocatalysis, with the NiO/MIL‐125‐NH2 and Ni2P/MIL‐125‐NH2 systems exhibiting high hydrogen (H2) evolution rates of 1084 and 1230 µmol h−1 g−1, respectively. Second, how different electron donors affect the stability and H2 generation rate of the best Ni2P/MIL‐125‐NH2 system is investigated and it is found that triethylamine fulfils both requirements. Then, the electron donor is replaced with rhodamine B (RhB), a dye that is commonly used as a simulant organic pollutant, with the aim of integrating the photocatalytic H2 generation with the degradation of RhB in a single process. This is of supreme importance as replacing the costly (and toxic) electron donors with hazardous molecules present in wastewater makes it possible to oxidize organic pollutants and produce H2 simultaneously. This is the first study where a metal–organic framework (MOF) system is used for this dual‐photocatalytic activity under visible light illumination and the proof‐of‐concept approach envisions a sustainable waste‐water remediation process driven by the abundant solar energy, while H2 is produced, captured, and further utilized.
Retracted: Decoy Oligodeoxynucleotides, Polysaccharides, and Targeted Peptide‐Functionalized Gold Nanorods for the Combined Treatment of Rheumatoid Arthritis
Authors: Zhang Nan , Zhang Shasha , Xu Chunyu , Fu Lingling , Liu Tuanbing , Zhao Yongxing
Published: November 2018

Autoimmune diseases like rheumatoid arthritis (RA) possess complicated pathogenesis. Therefore, RA is hard to treat by monotherapies in clinical setting. All‐in‐one treatments that target inflamed joints and act efficiently are highly needed. Gold compounds are old anti‐RA therapies and are fabricated into gold nanorods (GNRs) that serve as anti‐RA therapeutics as well as nanocarriers for anti‐inflammatory nucleic acid drug‐NF‐κB‐decoy oligodeoxynucleotides (dODNs). A targeted peptide to vascular cell adhesion molecule‐1 (VCAM‐1) (PVCAM‐1) is modified onto the GNRs to facilitate enhanced accumulation of GNRs in inflamed tissues and enhanced cellular uptake of GNRs by inflamed cells. dODNs loaded and PVCAM‐1 modified GNRs (GNRs‐dODN‐PVCAM‐1) are covered by polysialic acid (PSA) to protect GNRs‐dODN‐PVCAM‐1 in vivo. Simultaneous GNRs, dODN, and thermotherapy show synergic effect on the reduction of TNF‐α and IL‐6 in inflamed macrophages and blood vessel cells. The simultaneous triple therapy (GNRs‐dODN‐PSA‐PVCAM‐1+laser) demonstrates excellent anti‐inflammatory efficacy in vitro and in vivo.
2D AlN Layers Sandwiched Between Graphene and Si Substrates
Authors: Wang Wenliang , Zheng Yulin , Li Xiaochan , Li Yuan , Zhao Hui , Huang Liegen , Yang Zhichao , Zhang Xiaona , Li Guoqiang
Published: November 2018

Due to the superior thickness‐dependent properties, 2D materials have exhibited great potential for applications in next‐generation optoelectronic devices. Despite the significant progress that has been achieved, the synthesis of 2D AlN remains challenging. This work reports on the epitaxial growth of 2D AlN layers via utilizing physically transferred graphene on Si substrates by metal–organic chemical vapor deposition. The 2D AlN layers sandwiched between graphene and Si substrates are confirmed by annular bright‐field scanning transmission electron microscopy and the effect of hydrogenation on the formation of 2D AlN layers is clarified by theoretical calculations with first‐principles calculations based on density functional theory. Moreover, the bandgap of as‐grown 2D AlN layers is theoretically predicted to be ≈9.63 eV and is experimentally determined to be 9.20–9.60 eV. This ultrawide bandgap semiconductor shows great promise in deep‐ultraviolet optoelectronic applications. These results are expected to support innovative and front‐end development of optoelectronic devices.
Revealing Photoluminescence Modulation from Layered Halide Perovskite Microcrystals upon Cyclic Compression
Authors: Castelli Andrea , Biffi Giulia , Ceseracciu Luca , Spirito Davide , Prato Mirko , Altamura Davide , Giannini Cinzia , Artyukhin Sergey , Krahne Roman , Manna Liberato , Arciniegas Milena P.
Published: November 2018

Halide perovskites show promise for high‐efficiency solar energy conversion and light‐emitting diode devices owing to their bandgap, which falls within the visible optical range. However, due to their rigidity, GPa pressures are necessary to control the complex interplay between their electronic and crystallographic structure. Layered perovskites are likely to be controlled using much lower pressures by exploiting the optical anisotropy of the embedded organic molecules in the structure. This work introduces layered perovskite microplatelets and demonstrates the extreme sensitivity of their emission to cyclic mechanical loading in the range of tens of MPa. A drastic change in their emission is observed in situ, from near‐white to an enhanced blue color. This process is reversible, as is evident from a hysteresis loop in the photoluminescence (PL) intensity of the microplatelets. A combination of experimental analysis and computational modelling shows that such behavior cannot be attributed to changes in the crystallographic structure of the flakes. Instead, it suggests that, thanks to their structural anisotropy, microplate alignment and reorientation are responsible for the observed PL modulation. The possibility to tune the optical emission of layered perovskite crystals via low pressures makes them highly interesting as active materials in applications where stress sensing or light modulation is desired.
2D Patterned Ion‐Exchange Membranes Induce Electroconvection
Authors: Roghmans Florian , Evdochenko Elizaveta , Stockmeier Felix , Schneider Sven , Smailji Amel , Tiwari Rahul , Mikosch Annabel , Karatay Elif , Kühne Alexander , Walther Andreas , Mani Ali , Wessling Matthias
Published: November 2018

Concentration polarization is a diffusion‐limited phenomenon for ion transport in electrodialysis based desalination processes. Once a so‐called limiting current is reached, the resistance of the system rises notably manifested as a plateau region in the current–voltage curves. For long it is hypothesized that altering the surface properties of the membrane can overcome the diffusional transport limitation by the induction of electroconvective vortices mixing the laminar boundary layer. To systematically investigate the influence of geometrical and chemical membrane surface topology on the evolution of electroconvection, circular patterns of polystyrene, poly(2‐vinylpyridine) (P2VP), and P2VP microgels are inkjet printed on cation‐exchange membranes. All types of patterns cause an insignificant increase in membrane resistance but they reduce the plateau lengths indicating the desired accelerated onset of electroconvection. In case of polystyrene (PS) patterns, the drop in plateau length results in a small reduction in transport resistance for overlimiting currents. However, membranes modified with linear P2VP and P2VP microgel patterns do exhibit a significantly decreased resistance in this region at a simultaneous increase of the limiting current density. Direct numerical simulations support the interpretation that the surface charge of the printed patterns influences the direction of the vortices being advantageous during ion transport toward the membrane.
Lateral Graphene p–n Junctions Realized by Nanoscale Bipolar Doping Using Surface Electric Dipoles and Self‐Organized Molecular Anions
Authors: Zhang Yong , Hu Guangliang , Gong Maogang , Alamri Mohammed , Ma Chunrui , Liu Ming , Wu Judy Z.
Published: November 2018

Lateral p–n junctions take the unique advantages of 2D materials, such as graphene, to enable single‐atomic layer microelectronics. A major challenge in fabrication of the lateral p–n junctions is in the control of electronic properties on a 2D atomic sheet with nanometer precision. Herein, a facile approach that employs decoration of molecular anions of bis‐(trifluoromethylsulfonyl)‐imide (TFSI) to generate p‐doping on the otherwise n‐doped graphene by positively polarized surface electric dipoles (pointing toward the surface) formed on the surface oxygen‐deficient layer “intrinsic” to an oxide ferroelectric back gate is reported. The characteristic double conductance minima V
Dirac− and V
Dirac

+
illustrated in the obtained lateral graphene p–n junctions can be tuned in the range of −1 to 0 V and 0 to +1 V, respectively, by controlling the TFSI anions and surface dipoles quantitatively. The unique advantage of this approach is in adoption of polarity‐controlled molecular ion attachment on graphene, which could be further developed for various lateral electronics on 2D materials.
A voltammetric sensor based on the use of reduced graphene oxide and hollow gold nanoparticles for the quantification of methyl parathion and parathion in agricultural products
Authors: Lu Juxiu , Sun Yufeng , Waterhouse Geoffrey I. N. , Xu Zhixiang
Published: November 2018

In this study, a novel voltammetric sensor is described for the determination of methyl parathion and parathion based on reduced graphene oxide and hollow gold nanoparticles immobilized on a glassy carbon electrode. Sensitivity is improved by making use of two‐step square wave voltammetry. Cyclic voltammetry and square wave voltammetry revealed the sensor to display excellent response to both methyl parathion and parathion, even at very low concentrations. Under optimal conditions, the sensor exhibited a linear response to methyl parathion in the 0.3–10 μM concentration range, and a linear response to parathion in the 0.11–50 μM concentration range. The respective detection limits are 0.12 μM for methyl parathion and 23 nM for parathion. The method was successfully applied to the determination of methyl parathion and parathion in spiked samples and gave recoveries between 76.7% and 112.1%. It was also used to detect residual methyl parathion and parathion in fruit and vegetables, with results correlating well with those obtained by gas chromatography.
The effect of e‐commerce agribusiness clusters on farmers’ migration decisions in China
Authors: Qi Jiaqi , Zheng Xiaoyong , Cao Peng , Zhu Liqun
Published: November 2018

Using household survey data from three Agro‐Taobao villages, which are clusters of e‐commerce agribusinesses recently appeared in China, and three nearby non‐Agro‐Taobao villages, we examine whether originating from an Agro‐Taobao village influences a farmer’s migration decision. Results show that individuals from Agro‐Taobao villages are 26% less likely to migrate than their counterparts from non‐Agro‐Taobao villages, after controlling for various factors that are likely to influence the migration decision such as demographic characteristics, migration experience, educational background, and health status. Policy implications of our findings are also discussed. [EconLit citations: Q13; Q12]
Treatment‐free remission with first‐ and second‐generation tyrosine kinase inhibitors
Authors: Cortes Jorge , Rea Delphine , Lipton Jeffrey H.
Published: November 2018

Chronic myeloid leukemia (CML) has become a chronic disease, for which the chronic phase is manageable with tyrosine kinase inhibitor (TKI) therapy. Patients with optimal responses to TKIs have achieved long‐term survival, and treatment‐free remission (TFR) has since become an additional treatment goal in CML. In this review, we discuss important factors to consider prior to stopping treatment. In addition, published and presented data with the first‐generation TKI imatinib, as well as current clinical trials evaluating TFR with the second‐generation TKIs dasatinib and nilotinib, are examined. Results obtained outside of clinical trials have been included as well. Because successful TKI discontinuation depends upon accurate BCR‐ABL1 monitoring, emerging technologies are also discussed. Clinical data obtained to date indicate that for many patients who achieve deep molecular response (DMR) on TKI therapy, TFR is a safe treatment goal, and, if the response is lost, patients can expect to regain their responses immediately upon reinitiation of TKI. It is also clear that there remains much room for improvement to make TFR a successful reality for most patients. Data from ongoing trials should help refine decisions as to which patients are the best candidates to attempt TKI discontinuation with safe monitoring in place.
Development of a patient‐reported outcomes symptom measure for patients with nontransfusion‐dependent thalassemia (NTDT‐PRO©)
Authors: Taher Ali , Viprakasit Vip , Cappellini Maria Domenica , Sutcharitchan Pranee , Ward Richard , Mahmoud Dalia , Laadem Abderrahmane , Khan Anzalee , Gwaltney Chad , Harding Gale , Attie Kenneth , Zhang Xiaosha , Zou Jun , Pariseau Joseph , Hu X. Henry , Kattamis Antonis
Published: November 2018

β‐Thalassemia, a hereditary blood disorder caused by reduced or absent synthesis of the β‐globin chain of hemoglobin, is characterized by ineffective erythropoiesis, and can manifest as nontransfusion‐dependent thalassemia (NTDT) or transfusion‐dependent thalassemia (TDT). Many patients with NTDT develop a wide range of serious complications that affect survival and quality of life (QoL). Patient‐reported outcomes (PRO), including health‐related QoL (HRQoL), are important tools for determining patient health impairment and selecting appropriate treatment. However, there are currently no disease‐specific PRO tools available to assess symptoms related to chronic anemia experienced by patients with NTDT. This study aimed to develop a new, US Food and Drug Administration (FDA)‐compliant PRO of chronic anemia symptoms, the NTDT‐PRO© tool, for use in patients with NTDT. Participants had a median age of 36 years (range, 18‐47) and 60% were female. The initial development of the NTDT‐PRO tool involved concept‐elicitation interviews with 25 patients from 3 centers (in Lebanon, Greece, and Canada); subsequent interview discussions and clinical input resulted in the generation of 9 items for inclusion in the draft NTDT‐PRO. Following a round of cognitive interviews involving 21 patients from 2 centers (in Lebanon and Greece), 4 items (Pain, Headaches, Ability to Concentrate, and Paleness) were removed from the draft NTDT‐PRO. The final NTDT‐PRO comprises 6 items that measure Tiredness, Weakness, and Shortness of Breath, with or without Physical Activity. The NTDT‐PRO is a new disease‐specific HRQoL tool for patients with NTDT, developed using a thorough methodology based on FDA 2009 PRO development guidelines.
High‐Fidelity Hybrid Quantum Gates between a Flying Photon and Diamond Nitrogen‐Vacancy Centers Assisted by Low‐Q Single‐Sided Cavities
Authors: Li Ming , Lin Jia‐Ying , Zhang Mei
Published: November 2018

High‐fidelity universal quantum gates are crucial in quantum computing. Three high‐fidelity universal quantum gates, namely the hybrid controlled NOT gate, the hybrid Toffoli gate, and the hybrid Fredkin gate, on a flying photon qubit and diamond nitrogen‐vacancy (NV) centers, assisted by low‐Q single‐sided cavities, are presented. Errors due to the imperfection of the practical input–output process are detected to improve the fidelity of these quantum gates, which therefore relaxes the requirement on their implementation, since strong coupling is no longer mandatory. In addition, quantum gates have the advantage that they can work faithfully even when the resonant condition among the NV center, the photon, and the cavity is not strictly satisfied, or the NV centers are not identical. The performance and success probability of these quantum gates are analyzed, finding that these schemes are feasible with current technology.
Polymersolarzellen: Fortschritt, Herausforderungen und Perspektiven
Authors: Wang Gang , Melkonyan Ferdinand S. , Facchetti Antonio , Marks Tobin J.
Published: November 2018

Polymersolarzellen mit Heteroübergangsarchitektur (“bulk‐heterojunction polymer solar cell”, BHJ‐PSC) wurden zwei Jahrzehnte lang vor allem auf solche Materialmischungen hin untersucht, bei denen der Elektronendonor ein Polymer und der Elektronenakzeptor ein Fulleren ist. Dies änderte sich erst in neuerer Zeit mit der Einführung von PSCs ohne Fullerenakzeptor. Innerhalb kürzester Zeit haben sich diese fullerenfreien PSCs rasant weiterentwickelt. Fullerenfreie BHJ‐PSCs erreichen mittlerweile einen weit höheren Wirkungsgrad von über 15 % als die effizientesten Fulleren‐PSCs. Vor allem die reinen Polymersolarzellen (“all‐polymer solar cells”, APSCs), bei denen der Heteroübergang aus einem Polymer als Donor und einem Polymer als Akzeptor gebildet wird, finden steigendes Interesse. Sie bieten: 1) eine einstellbare hohe Lichtabsorption durch das Polymer‐Donor/Polymer‐Akzeptor‐Paar; 2) robuste Morphologien des BHJ‐Films; 3) Kompatibilität mit großformatiger und großflächiger Fertigung; 4) eine gute Langzeitstabilität der Zelle gegenüber Umwelt‐ und mechanischer Beanspruchung. Dieser Kurzaufsatz beschreibt die Möglichkeiten und Chancen der APSCs. Er zeigt auf, welche Polymere sich als Bauelemente eignen und wie sich deren Leistungsfähigkeit noch weiter optimieren lässt. Herausforderungen, die für kommerzielle Anwendungen weiter bestehen, werden ebenfalls erörtert.
Hydrierung borylierter Aromaten
Authors: Wollenburg Marco , Moock Daniel , Glorius Frank
Published: November 2018

Die Rh‐CAAC‐katalysierte cis‐selektive Hydrierung von leicht verfügbaren aromatischen Boronsäuren und derer Derivate wird gezeigt. Die Reaktion toleriert verschiedene Bor‐Schutzgruppen und liefert direkten Zugang zu einem breiten Spektrum gesättigter, borylierter Carbo‐ und Heterocyclen mit verschiedenen funktionellen Gruppen. Die Transformation ist strategisch wichtig, da die vielseitig einsetzbaren gesättigten Boronate mit anderen Methoden nur schwer herzustellen sind. Die Anwendbarkeit der gesättigten, cyclischen Synthesebausteine wurde durch Post‐Funktionalisierung der Borgruppe demonstriert.
All‐Polymer Solar Cells: Recent Progress, Challenges, and Prospects
Authors: Wang Gang , Melkonyan Ferdinand S. , Facchetti Antonio , Marks Tobin J.
Published: November 2018

For over two decades bulk‐heterojunction polymer solar cell (BHJ‐PSC) research was dominated by donor:acceptor BHJ blends based on polymer donors and fullerene molecular acceptors. This situation has changed recently, with non‐fullerene PSCs developing very rapidly. The power conversion efficiencies of non‐fullerene PSCs have now reached over 15 %, which is far above the most efficient fullerene‐based PSCs. Among the various non‐fullerene PSCs, all‐polymer solar cells (APSCs) based on polymer donor‐polymer acceptor BHJs have attracted growing attention, due to the following attractions: 1) large and tunable light absorption of the polymer donor/polymer acceptor pair; 2) robustness of the BHJ film morphology; 3) compatibility with large scale/large area manufacturing; 4) long‐term stability of the cell to external environmental and mechanical stresses. This Minireview highlights the opportunities offered by APSCs, selected polymer families suitable for these devices with optimization to enhance the performance further, and discusses the challenges facing APSC development for commercial applications.
Artificial Gel‐Based Organelles for Spatial Organization of Cell‐Free Gene Expression Reactions
Authors: Aufinger Lukas , Simmel Friedrich C.
Published: November 2018

Gel‐based artificial organelles have been developed that enable sequence‐specific and programmable localization of cell‐free transcription and translation reactions inside an artificial cellular system. To this end, we utilize agarose microgels covalently modified with DNA templates coding for various functions and encapsulate them into emulsion droplets. We show that RNA signals transcribed from transcription organelles can be specifically targeted to capture organelles via hybridization to the corresponding DNA addresses. We also demonstrate that mRNA molecules, produced from transcription organelles and controlled by toehold switch riboregulators, are only translated in translation organelles containing their cognate DNA triggers. Spatial confinement of transcription and translation in separate organelles is thus superficially similar to gene expression in eukaryotic cells. Combining communicating gel spheres with specialized functions opens up new possibilities for programming artificial cellular systems at the organelle level.
1,2,3‐Diazaborinine: A BN Analogue of Pyridine Obtained by Ring Expansion of a Borole with an Organic Azide
Authors: Lindl Felix , Lin Shujuan , Krummenacher Ivo , Lenczyk Carsten , Stoy Andreas , Müller Marcel , Lin Zhenyang , Braunschweig Holger
Published: November 2018

A new pathway for the ring expansion reaction of antiaromatic boroles with organic azides is reported. While the reaction usually leads to 1,2‐azaborinines, it was diverted to the formation of a 1,2,3‐diazaborinine by changing the electronic characteristics of the reagents. The isolable azo‐azaborinine intermediate initially formed from the reaction of 1‐(2,3,4,5‐tetraphenylborolyl)ferrocene with 4‐azido‐N,N‐dimethylaniline gradually decomposed to a 1,2,3‐diazaborinine and benzonitrile. Both the spectroscopic properties and the reactivity of the heteroaromatic compound show analogies to pyridine, to which it is isoelectronic. Density functional theory (DFT) calculations provided insight into the mechanism of this unusual transformation.
Ultra‐Tuning of the Aperture Size in Stiffened ZIF‐8_Cm Frameworks with Mixed‐Linker Strategy for Enhanced CO2/CH4 Separation
Authors: Hou Qianqian , Wu Ying , Zhou Sheng , Wei Yanying , Caro Jürgen , Wang Haihui
Published: November 2018

ZIF‐8 membrane has the potential for CO2/CH4 separation based on size exclusion. But if traditionally prepared by solvothermal methods, it shows only negligible selectivity due to the linker mobility. Here, ≈500 nm‐thin hybrid ZIF‐7x‐8 membranes with suppressed linker mobility and narrowed window aperture are prepared by a fast current‐driven synthesis (FCDS) within 20 min. The in situ electric field during FCDS allows the formation of stiffened ZIF‐8_Cm as parent skeleton and the mixed‐linker strategy is applied to narrow the aperture size simultaneously. The ZIF‐722‐8 membrane shows significantly sharpened molecular sieving for CO2/CH4 with a separation factor above 25, which soared tenfold compared with other unmodified ZIF‐8 membranes. Additionally, the membrane shows exceptional separation performance for H2/CH4 and CO2/N2, with separation factors of 71 and 20, respectively. After 180 h temperature swing operation, it still maintains the excellent separation performance.
RA‐XXV and RA‐XXVI, Bicyclic Hexapeptides from Rubia cordifolia L.: Structure, Synthesis, and Conformation
Authors: Hitotsuyanagi Yukio , Hirai Masahito , Odagiri Masumi , Komine Miho , Hasuda Tomoyo , Fukaya Haruhiko , Takeya Koichi
Published: November 2018

Two RA‐series bicyclic hexapeptides, RA‐XXV (4) and RA‐XXVI (5), which have no N‐methyl group at Tyr‐5, were isolated from the roots of Rubia cordifolia L. Their amino acid compositions and sequences were determined by interpretation of MS, and 1D and 2D NMR data and their relative structures were elucidated by XRD analysis of 4 and RA‐XXVI acetate (6). The absolute stereochemistry of 4 was established by the total synthesis of 4, and that of 5, by the chemical correlation with 4. Peptides 4 and 5 exhibited cytotoxicity toward human promyelocytic leukemia HL‐60 (IC50=0.062 and 0.066 μm, respectively) and human colonic carcinoma HCT‐116 (IC50=0.028 and 0.051 μm, respectively) cell lines. Analysis of the conformational structures of 4 and 6 in the crystalline state and those of 4 and 5 in solution revealed that the N‐methyl group at Tyr‐5 functions to make this series of peptides preferentially adopt the active conformation.
Adaptive Continuous Neural Pitch Angle Control for Variable‐Speed Wind Turbines
Authors: Jiao Xuguo , Meng Wenchao , Yang Qinmin , Fu Lingkun , Chen Qi
Published: November 2018

As wind energy becomes one of the fastest growing renewable energy resources, the control of large‐scale wind turbines remains a challenging task due to its system model nonlinearities and high external uncertainties. In this paper, an adaptive neural pitch angle control strategy is proposed for the variable‐speed wind turbines (VSWT) operating in pitch control region. The control objective is to maintain the rotor speed and generator power at the prescribed reference values in the presence of external disturbance, without the need of the information of system parameters and aerodynamics. First, the order of the system dynamics is increased by defining a filtered regulation error. By this means, the non‐affine characteristics of the VSWT model is transformed into a simple affine control problem and thus the feedback linearization technique can be employed. The continuousness of control signal is also guaranteed to relax the requirement on the bandwidth of actuators, and the mechanical load on pitching systems is reduced. Subsequently, an online learning approximator (OLA) is utilized to estimate the unknown nonlinear aerodynamics of the wind turbine and extend the practicability of the proposed adaptive parameter‐free controller. In addition, a high‐gain observer is implemented to obtain an estimation of rotor acceleration, which rejects the need of additional sensors. Rigid theoretical analysis guarantees the tracking of rotor speed/generator power and the boundedness of all other signals of the closed‐loop system. Finally, the effectiveness of the proposed scheme is testified via the Wind Turbine Blockset simulation package in Matlab/Simulink environment. Moreover, comparison results reveal that the introduced solution is able to provide better regulation performance than the conventional PI counterpart.
Facial Expression Production in Autism: A Meta‐Analysis
Authors: Trevisan Dominic A. , Hoskyn Maureen , Birmingham Elina
Published: November 2018

This meta‐analysis summarized studies that examined group differences on the production of facial expressions in participants with ASD compared to typically developing or nonautistic clinical comparison groups. The overall summary effect from 67 effect sizes representing the average ASD‐comparison group differences in facial expressions was −0.481, indicating a moderate effect size. We conducted subgroup analyses to group effect sizes according to separate facial expression abilities identified in the literature. These analyses revealed that participants with ASD display facial expressions less frequently and for less amount of time, and they are less likely to share facial expressions with others or automatically mimic the expressions of real faces or face stimuli. Their facial expressions are also judged to be lower in quality and are expressed less accurately. However, participants with ASD do not express emotions less intensely, nor is their reaction time of expression onset slower in response to odors, startling sensations, or in response to face stimuli in mimicry studies. ASD‐comparison group differences were moderated by matching procedures, age, and intellectual functioning of the ASD participants suggesting that persons with higher IQ and larger number of accumulated life experiences are better able to produce facial expressions that are more consistent with “neurotypical” norms. Group differences were also stronger for “covertly elicited” than “explicitly elicited” facial expressions suggesting individuals with ASD may naturally produce facial expressions differently from other populations, but are less impaired in expressing emotions typically when prompted to do so in a laboratory setting. Autism Research 2018, 11: 1586–1601. © 2018 International Society for Autism Research, Wiley Periodicals, Inc.

Lay Summary

We reviewed studies that compared facial expressions in people with and without autism. Results revealed that facial expressions of people with autism are atypical in appearance and quality and are used atypically to regulate social interactions. The magnitude of these differences was influenced by participant characteristics (e.g. age and intellectual functioning), and by how facial expressions were measured and analyzed in various studies.
Survival after neoadjuvant chemoradiotherapy and oesophagectomy versus definitive chemoradiotherapy for patients with oesophageal squamous cell carcinoma
Authors: Wang B-Y , Wu S-C , Chen H-C , Hung W-H , Lin C-H , Huang C-L , Chen H-S
Published: November 2018

Background

Whether there is a difference in survival after neoadjuvant chemoradiotherapy plus surgery (CRT-S) compared with definitive chemoradiotherapy (dCRT) in patients with locally advanced oesophageal squamous cell carcinoma (SCC) remains controversial.

Methods

Patients with SCC who underwent curative treatment from 2008 to 2014 were identified from the Taiwan Cancer Registry. Propensity score matching was undertaken to balance pretreatment clinical variables. Overall survival was compared between patients undergoing CRT-S or dCRT. Univariable and multivariable analyses were performed to identify prognostic factors for overall survival.

Results

A total of 5832 patients with clinical stage II and III oesophageal SCC receiving CRT-S (1754) or dCRT (4078) were included. After propensity score matching, each group included 1661 patients. The 3-year overall survival rate for patients treated with CRT-S was 41·1 per cent compared with 17·9 per cent for those who had dCRT (P < 0·001). In multivariable analysis, treatment modality was an independent prognostic factor in the overall cohort before propensity score matching: hazard ratio 0·45 (95 per cent c.i. 0·40 to 0·51) for CRT-S versus dCRT (P < 0·001). In separate analyses of patients with clinical stage II and those with stage III disease, CRT-S was associated with significantly better overall survival than dCRT.

Conclusion

Neoadjuvant chemoradiotherapy and oesophagectomy is associated with better overall survival than dCRT in patients with stage II and III oesophageal SCC.
Synthesis and Structure−Activity Relationship of Omaezallene Derivatives
Authors: Umezawa Taiki , Prakoso Nurcahyo Iman , Kannaka Miho , Nogata Yasuyuki , Yoshimura Erina , Okino Tatsufumi , Matsuda Fuyuhiko
Published: November 2018

Omaezallene derivatives (nor‐bromoallene, nor‐bromodiene, and bromoenynes) were successfully synthesized. Their antifouling activity and toxicity to the cypris larvae of the barnacle Amphibalanus amphitrite and ecotoxicity to the marine crustacean Tigriopus japonicus were studied. It was revealed that the two side chains of omaezallene were essential to its antifouling activity because the activities of nor‐bromoallene and nor‐bromodiene were significantly diminished. The bromoenyne was found to exhibit potent antifouling activities comparable to omaezallene with low toxicity and ecotoxicity. Preparation of bromoenyne framework is much easier than that of bromodiene moiety in omaezallene. Based on the antifouling activities of the bromoenynes, the synthesis of fluorescent probes and evaluation of their biological activities were also carried out.
A randomized, controlled, multi‐center trial of the efficacy and safety of the Occlutech Figulla Flex‐II Occluder compared to the Amplatzer Septal Occluder for transcatheter closure of secundum atrial septal defects
Authors: Kenny Damien , Eicken Andreas , Dähnert Ingo , Boudjemline Younes , Sievert Horst , Schneider Martin BE , Gori Tommaso , Hijazi Ziyad M. ,   for the Investigators
Published: November 2018

Aims

The aim of this study was to compare the efficacy and safety of the Occlutech Figulla Flex II Occluder (OFFII) with the Amplatzer Septal Occluder (ASO) in patients > 8kg undergoing transcatheter ASD closure.

Methods and results

Randomized, controlled, multi‐center prospective clinical trial with randomization 2:1 in favor of the OFFII. Primary efficacy endpoint was the rate of successful device placement and defect closure without major complications at hospital discharge. All data were assessed through a core laboratory. Interim analysis was performed when 70% of the patients were treated to evaluate for noninferiority.

From a total of 176 randomized subjects, interim analysis was performed on the first 158 patients (65.2% female) (107 OFFII/51 ASO) undergoing device closure at a median weight of 42 kg (range 13‐125 kg). Seventy‐six percent (120 patients) completed 6‐month follow‐up. Successful device placement (first attempt) was achieved in 99.1% of the OFF group vs 90.2% of the ASO group (P < 0.05). Early efficacy success was achieved in 94.4% of the OFFII group vs 90.2% of the ASO group (P < 0.001). The incidence of major complications was 5.6% for the OFFII group compared to 9.8% for the ASO.

Conclusions

The OFFII device was not inferior to the ASO with less complications and greater efficacy than the ASO.
Isoflavone aglycones enrichment in soybean sourdough bread fermented by lactic acid bacteria strains isolated from traditional Qu starters: Effects on in vitro gastrointestinal digestion, nutritional, and baking properties
Authors: Zhang Binle , Yang Zixuan , Huang Weining , Omedi Jacob Ojobi , Wang Feng , Zou Qibo , Zheng Jianxin
Published: November 2018

Background and objectives

In this study, 165 lactic acid bacteria (LAB) strains were isolated from three traditional Qu (LQ, XQ, and DQ) starters and screened for isoflavone glycoside biotransformation ability. The selected and identified strains were used as starter culture to enrich isoflavone aglycone in soybean sourdough bread (SSB). The in vitro gastrointestinal digestion, nutritional, and baking quality of soybean sourdough bread were determined.

Findings

Based on yield, three strains identified as Pediococcus pentosaceus (D14, X11; 0.4940 and 0.5243 mg/g, respectively) and Lactobacillus plantarum group (L1, 0.6113 mg/g) showed the highest (p < 0.05) yield. The Lactobacillus plantarum group was confirmed to be L. plantarum using species‐specific multiplex PCR based on recA gene. L. plantarum was used as starter culture in soybean sourdough fermentation and bread preparation. In sourdough fermentation, sucrose was the preferred carbon source, as it supported cell growth and exhibited the highest β‐glucosidase enzyme activity (9.86 U/g). The aglycone content of SSB was increased under L. plantarum (5.93 mg/100 g). Similarly, the amino acid content was increased compared with soybean bread (SB) and wheat bread (WB). In vitro gastrointestinal digestion, SSB showed significant high release, absorption, and bioavailability of aglycone in bread. Baking quality (specific volume and texture) and overall acceptability of SSB were higher (p < 0.05) than SB and closer to WB.

Conclusions

The use of β‐glucosidase from LAB strains during sourdough fermentation enhanced the bioactivity and overall acceptability of sourdough bread.

Significance and novelty

This added new knowledge and the application potential as commercial starter in sourdough fermentation applications in the food industry.
How Chorismatases Regulate Distinct Reaction Channels in a Single Conserved Active Pocket: Mechanistic Analysis with QM/MM (ONIOM) Investigations
Authors: Zhang Yulai , Zhang Hongxing , Zheng Qingchuan
Published: November 2018

The FkbO and Hyg5 subfamilies of chorismatases share the same active‐site architectures, but perform distinct reaction mechanisms, that is, FkbO employs a hydrolysis reaction whereas Hyg5 proceeds through an intramolecular mechanism. Despite extensive research efforts, the detailed mechanism of the product selectivity in chorismatases need to be further unmasked. In this study, the effects of the A/G residue group (A244FkbO/G240Hyg5) and the V/Q residue group (V209FkbO/Q201Hyg5) on the catalytic mechanisms are investigated by employing molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical (QM/MM) calculations of the two wild‐type models (FkbO/CHO and Hyg5/CHO; CHO=chorismate) and four mutants models (A244G‐FkbO/CHO and G240A‐Hyg5/CHO; V209Q‐FkbO/CHO and Q201V‐Hyg5/CHO). Our results showed that the A/G residue group mentioned by previous works would cause changes in the binding states of the substrate and the orientation of the catalytic glutamate, but only these changes affect the product selectivity in chorismatases limitedly. Interestingly, the distal V/Q residue group, which determines the internal water self‐regulating ability at the active site, has significant impact on the selectivity of the catalytic mechanisms. The V/Q residue group is suggested to be an important factor to control the catalytic activities in chorismatases. The results are consistent with biochemical and structural experiments, providing novel insight into the mechanism of product selectivity in chorismatases.
Filling a Niche in “Ligand Space” with Bulky, Electron‐Poor Phosphorus(III) Alkoxides
Authors: Hussein Sharifa , Priester Denis , Beet Paul , Cottom Jonathon , Hart Sam J. , James Tim , Thatcher Robert J. , Whitwood Adrian C. , Slattery John M.
Published: November 2018

The chemistry of phosphorus(III) ligands, which are of key importance in coordination chemistry, organometallic chemistry and catalysis, is dominated by relatively electron‐rich species. Many of the electron‐poor PIII ligands that are readily available have relatively small steric profiles. As such, there is a significant gap in “ligand space” where more sterically bulky, electron‐poor PIII ligands are needed. This contribution discusses the coordination chemistry, steric and electronic properties of PIII ligands bearing highly fluorinated alkoxide groups of the general form PRn(ORF)3−n, where R=Ph, RF=C(H)(CF3)2 and C(CF3)3; n=1–3. These ligands are simple to synthesize and a range of experimental and theoretical methods suggest that their steric and electronic properties can be “tuned” by modification of their substituents, making them excellent candidates for large, electron‐poor ligands.
Nanowire of WP as a High‐Performance Anode Material for Sodium‐Ion Batteries
Authors: Pan Qi , Chen Hui , Wu Zhenguo , Wang Yuan , Zhong Benhe , Xia Li , Wang Hai‐Ying , Cui Guanwei , Guo Xiaodong , Sun Xuping
Published: November 2018

The design and development of electrode materials with high specific capacity and long cycling life for sodium‐ion batteries (SIBs) is still a critical challenge. In this communication, we report the development of tungsten phosphide (WP) nanowire on carbon cloth (WP/CC) as an anode for SIBs. The WP/CC exhibits superior sodium storage capability with 502 mA h g−1 at 0.1 A g−1. Moreover, this anode is capable of delivering a long lifespan at 2 A g−1 with an excellent capacity retention of 99 % after 1000 cycles.
From Hierarchical Helicates to Functional Supramolecular Devices
Authors: Albrecht Markus , Chen Xiaofei , Van Craen David
Published: November 2018

Catechol ligands with aldehyde, ketone or ester groups attached in 3‐position form, in the presence of titanium(IV) triscatecholate, titanium(IV) complexes. If lithium cations are the counterions, they can bind in a successive step to the salicylate units of the complex and form a dimeric triple‐lithium‐bridged dinuclear helicate. In solution, the dimer is in equilibrium with the monomer and the thermodynamics of the dimerization can be easily evaluated. Thus, the hierarchically assembled titanium(IV) helicates represent a lithium‐dependent molecular switch. The investigation of different derivatives of the complex allows for an estimation of the influence of side chain functionalities on the energetics of the dimerization. Thus, the hierarchically assembled helicates can be used as a kind of molecular balance to determine weak interaction energies (solvophobic effects and even dispersive effects). In addition, tethering of two ligands leads to “classical” helicates. Removal or addition of lithium cations allows for a reversible switching between a compressed and expanded state, which in the case of chiral ligands can be even performed stereospecifically.
Where we live: The impact of neighborhoods and community factors on cardiovascular health in the United States
Authors: Xiao Yang‐Yu (Karen) , Graham Garth
Published: November 2018

While the prevalence of cardiovascular risk factors has decreased in the United States in recent years, cardiovascular disparities by sex and race persist. Among the factors contributing to these disparities is the physical environment in which individuals live. Neighborhood characteristics, ranging from air pollution exposure to residential segregation, have been found to be related to cardiovascular health (CVH) and stroke risk. Through the use of cross‐sectional, longitudinal, and analytic regression modeling, we are gaining clarity about the relationship between an individual's external environment and CVH. Moreover, differences in CVH vary by sex and/or race within the same neighborhood. The mechanism by which these disparities exist is still being explored. In this review, we examine the literature that has accumulated regarding how external environments and community factors affect individuals and populations by race and sex.
Impact of gender on in‐hospital outcomes in patients with Takotsubo syndrome: A nationwide analysis from 2006 to 2014
Authors: Lemor Alejandro , Ramos‐Rodriguez Alvaro J. , De La Villa Ricardo , Hosseini Dehkordi Seyed H. , Vazquez de Lara Fernando , Lee Shawn , Rodriguez Rivera Mario , Casso Dominguez Abel , Argulian Edgar
Published: November 2018

Background

Takotsubo syndrome (TTS) is characterized by acute, transient systolic dysfunction of the left ventricle not attributed to coronary artery disease (CAD).

Hypothesis

There are differences in hospital outcomes in patients admitted with TTS based on their gender.

Methods

The National Inpatient Sample database was searched for patients admitted with a principal diagnosis of TTS from 2006 to 2014 using the ICD9‐CM code 429.83. Using Pearson's χ2 and Student's t test analyses, the P‐value was calculated for differences among baseline characteristics of patients. Multivariate regression models were then created to adjust for potential confounders.

Results

A total of 39 662 admissions with TTS were identified, 91.7% female and 8.3% male with mean age of 66.5 and 61.6 years, respectively. The incidence of TTS increased progressively from 2006 to 2014. Female patients were more likely to have hypertension, hypothyroidism, or depression. Males were more likely to use tobacco, or have known CAD. Males had almost 4‐fold higher probability of in‐hospital mortality compared to females (3.7% vs 1.1%; P<0.001). Certain complications including cardiogenic shock, ventricular fibrillation/tachycardia, and acute kidney injury were more common in males.

Conclusions

There are distinct gender differences in clinical characteristics of patients admitted with TTS. Although TTS is more common in females, it is associated with higher morbidity and mortality in males.
Sampling strategies for approximating patient variability in population‐based finite element studies of total hip replacement
Authors: O'Rourke Dermot , Bottema Murk , Taylor Mark
Published: November 2018

Total hip replacements must be robust to patient variability for long‐term success in the population. The challenge during the design process is evaluating an implant in a diverse population but the computational cost of simulating a population of subject‐specific finite element (FE) models is not practical. We examined five strategies to generate representative subsets of subjects from a cohort of 103 implanted hip joint FE models to approximate the variability in output metrics. Comparing with the median and distribution of the 95th percentile composite peak micromotion (CPM) and polar gap in the full cohort (CPM median: 136 μm, interquartile range [IQR]: 74‐230 μm) (Polar Gap median: 467 μm, IQR: 434‐548 μm), the Anatomic Sampling strategy (12 subjects) achieved the best balance of computational cost and approximation of the output metrics (CPM median: 169 μm, IQR: 78‐236 μm) (Polar Gap median: 469 μm, IQR: 448‐537 μm). Convex hull sampling (41 subjects) more closely captured the output metrics (CPM median: 99 μm, IQR: 70‐191 μm) (Polar Gap median: 456 μm, IQR: 418‐533 μm) but required over three times the number of subjects. Volume reduction of the convex hull captured the extremes of variability with subsets of 5 to 20 subjects, while the largest minimum‐distance strategy captured the variability toward the middle of the cohort. These strategies can estimate the level of variability in FE model output metrics with a low computational cost when evaluating implants during the design process.
Generating Embryonic Salivary Gland Organoids
Authors: Hosseini Zeinab F. , Nelson Deirdre A. , Moskwa Nicholas , Larsen Melinda
Published: November 2018

Organoids are important research tools for studying organ morphogenesis and differentiation because they recapitulate ex vivo the native 3D organization of cells that is essential for proper cell and organ function. The composition of organoids can be manipulated to incorporate specific cell types to facilitate molecular interrogation of cell‐cell interactions during organoid formation. A method for generating organoids derived from both embryonic salivary gland epithelial progenitor cells and mesenchymal support cells is described. Methods for isolating enriched populations of the epithelial cells as clusters and the mesenchyme cells as single cells from mouse embryonic submandibular salivary glands are also provided. Separating the epithelial and mesenchymal cell populations allows for independent molecular manipulation of each cell type. In addition, methods for lentiviral transduction of the mesenchyme cells and quantitative image analysis of organoids are provided. The methods described here are useful for exploring mechanisms driving organ formation. © 2018 by John Wiley & Sons, Inc.
Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis
Authors: Polo‐Garzon Felipe , Luo Si , Cheng Yongqiang , Page Katharine L. , Ramirez‐Cuesta Anibal J. , Britt Phillip F. , Wu Zili
Published: November 2018

In heterogeneous catalysis, hydrides on the surface or in the bulk play a critical role as either active components or reaction intermediates in many hydrogen‐involving reactions, but characterization of the nature and structure of these hydride species remains challenging. Neutron scattering, which is extremely sensitive to light elements, such as hydrogen, has shown great potential in meeting this challenge. In this Minireview, recent advances in neutron studies of hydride species, mainly over the two most typical classes of catalysts—metals and oxides—are surveyed. Findings on catalysts outside these categories are raised if they are considered to be relevant for contextualization in the present Minireview. The adsorption, dissociation, spillover, and reactivity of hydrogen, especially hydride species over supported metal and oxide catalysts, have been successfully investigated, mostly by means of neutron vibrational spectroscopy. Insights from these neutron studies, which are otherwise not possible with other techniques, shed light on the interaction mechanism of hydrogen with solid surfaces and reaction mechanisms in which hydrogen is involved. Future research challenges on neutron scattering studies of hydrides, as well as catalysis in general, are also highlighted, and more operando‐type neutron studies need be conducted to advance the field.