bluuebunny/crossref_metadata_2025_split huggingface dataset:
All‐Polymer Solar Cells: Recent Progress, Challenges, and Prospects
Authors: Wang Gang , Melkonyan Ferdinand S. , Facchetti Antonio , Marks Tobin J. 
Published: November 2018

AbstractFor 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

AbstractGel‐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

AbstractA 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

AbstractZIF‐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

AbstractTwo 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

AbstractAs 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 SummaryWe 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

Abstract

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 &lt; 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 &lt; 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

AbstractOmaezallene 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

AbstractAimsThe 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 resultsRandomized, 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.ConclusionsThe 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

AbstractBackground and objectivesIn 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.FindingsBased 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.ConclusionsThe use of β‐glucosidase from LAB strains during sourdough fermentation enhanced the bioactivity and overall acceptability of sourdough bread.Significance and noveltyThis 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

AbstractThe 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

AbstractThe 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

AbstractThe 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

AbstractCatechol 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.
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

BackgroundTakotsubo syndrome (TTS) is characterized by acute, transient systolic dysfunction of the left ventricle not attributed to coronary artery disease (CAD).HypothesisThere are differences in hospital outcomes in patients admitted with TTS based on their gender.MethodsThe 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.ResultsA 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.ConclusionsThere 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.