bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lichtgesteuerte Kupplungsreaktionen im nahen Infrarot mittels Aufkonvertierungs‐Nanopartikeln
Authors: Lederhose Paul , Chen Zhijun , Müller Rouven , Blinco James P. , Wu Si , Barner‐Kowollik Christopher 
Published: August 2016

AbstractWir berichten über eine Nitrilimin‐vermittelte Tetrazol‐En‐Cycloaddition (NITEC) in Gegenwart von Photonen‐aufkonvertierenden Nanopartikeln (UCNPs) als eine effiziente Verknüpfungsmethode. Werden Pyren‐Aryltetrazol‐Derivate (λabs,max=346 nm) in Gegenwart von UCNPs mit Nahinfrarotlicht bei 974 nm bestrahlt, so wird das Tetrazol rasch zu einem reaktiven Nitrilimin umgesetzt. In Gegenwart einer elektronenarmen Doppelbindung reagiert das entstandene Nitrilimin unter Umgebungsbedingungen quantitativ zu einem Pyrazolin‐Cycloaddukt. Die Kombination von NITEC und UCNP wurde für Cycloadditionen kleiner Moleküle, Polymer‐Endgruppenumwandlungen und die Bildung von Blockcopolymeren aus funktionalisierten Makromolekülen genutzt. Da die Methode vielversprechend für In‐vivo‐Anwendungen ist, wurden Gewebedurchdringungsexperimente in Gegenwart von biologisch relevantem Biotin durchgeführt. Quantitative Cycloadditionen und die Aufrechterhaltung der biologischen Aktivität des Biotins unter Bestrahlung bei 974 nm wurden beobachtet.
Entropically Driven Self‐Assembly of Bolaamphiphilic Perylene Dyes in Water
Authors: Görl Daniel , Würthner Frank 
Published: August 2016

AbstractThe specific hydrophobic effect involved in the self‐assembly of a bolaamphiphilic perylene bisimide (PBI) dye bearing oligoethylene glycol (OEG) chains has been identified. In pure water, the self‐assembly is entropically driven and enthalpically disfavored, as explored by optical spectroscopy and isothermal titration calorimetry studies. Besides strong π–π interactions between the PBI units that are primarily of enthalpic nature, the major contribution to the self‐assembly is the gain of entropy by release of confined water molecules from the hydration shell of the hydrophilic OEG moieties. Both contributions favor self‐assembly, but their countervailing thermodynamic parameters are reflected in an uncommon temperature dependence, which can be inverted upon gradual addition of an organic cosolvent that makes the π–π interaction increasingly dominant.
Reagents with a Crystalline Coat
Authors: Schwenger Alexander , Frey Wolfgang , Richert Clemens 
Published: August 2016

AbstractTetrakis(dimethoxyphenyl)adamantane (TDA) readily forms crystalline inclusion complexes with reactive, toxic, or malodorous reagents, such as benzoyl chloride, acetyl chloride, cyclohexyl isocyanide, phosphorus trichloride, and trimethylsilyl chloride. The crystals are stable and largely free of the problematic properties of the free reagents. When exposed to solvents such as DMSO or MeOH, the reagents react, and a large portion of the TDA precipitates. The TDA‐coated reagents may lead to a safer way of storing, handling, and delivering reagents, and ultimately to synthetic protocols that do not require fume hoods.
Rapid green and blue light‐induced CO release from bromazepam Mn(I) and Ru(II) carbonyls: synthesis, density functional theory and biological activity evaluation
Authors: Mansour Ahmed M. 
Published: August 2016

Two new photoactivatable carbon monoxide‐releasing molecules (CORMs), fac‐[Mn(CO)3(BZM)Br] (1) and [RuCl2(BZM)(CO)2] (2), derived from the anti‐anxiety drug bromazepam (BZM) and capable of rapid release of CO upon the illumination with light‐emitting diode (LED) source light (470–525 nm) have been synthesized and characterized. The photo‐delivery of CO to myoglobin solution could be achieved via the illumination of 1 at 525 nm for 10 min or at 470 nm for 1 min. The addition of water to a dimethylsulfoxide (DMSO) solution of 1 increases its stability, but it decreases the rate of the CO‐releasing process. CORM 2 behaves as a good visible photoCORM, whereby its two CO molecules are released within 10 min upon exposure to LED light source at 470 nm in DMSO. The illumination profile of 2 was also examined using solution infrared spectroscopy. The cis/trans stereochemistry around the Ru(II) ion was determined using quantum chemical calculations. The formation of photoCORMs leads to an improvement in the toxicity of BZM against tested microbes.
Moving Graphitic Carbon Nitride from Electrocatalysis and Photocatalysis to a Potential Electrode Material for Photoelectric Devices
Authors: Xu Jingsan , Antonietti Markus , Shalom Menny 
Published: August 2016

AbstractCarbon nitride (g‐CN) has attracted significant interest in the last years as a robust, low‐cost alternative to metal‐based materials in different fields due to its low price, environmentally benign character, simple synthesis and tunable properties. In particular, g‐CN demonstrates promising activity in energy‐related applications such as photo and heterogeneous catalysis, batteries and electrolysis. However, while g‐CN is already well‐established as a photocatalyst, its utilization in (opto)electronic devices is still at an early stage. This Focus Review concentrates on the utilization of g‐CN in solar and photoelectrochemical cells, electrolyzers and light emitting diode alongside the recap of new synthetic approaches. This review is expected to provide useful insights into the design and fabrication of g‐CN based photoelectronic devices as well as g‐CN working principles, including the main challenges toward its integration in optoelectronic devices.
Design of cyclized selective melanotropins
Authors: Cai Minying , Hruby Victor J. 
Published: August 2016

AbstractThis article describes the development of cyclic peptides for G‐protein coupled receptors to enable structure‐function knowledge and the design of novel therapeutics. One important property of cyclic peptides is that they tend to be resistant to the digestion, enabling them to survive in the human digestive tract. This trait makes them very important as drug leads or as scaffolds which, in theory, can be engineered to incorporate a peptide domain of medicinal value. This is especially important for delivery of peptides that would be destroyed without such implementation. The melanocortin system is the focus of this article, and includes melanotropin ligands and melanocortin receptors. We examine two strategies to constrain the melanotropin peptide backbone. The first is based on global constraint of peptides by cyclization using various kinds of linkers. In the second approach we describe the use of a natural cyclized template, the cyclotide, to graft the melanotropin phamacophore, ‐His‐Phe‐Arg‐Trp‐, to obtain selective drug leads. In these examples the conserved melanocyte stimulating hormone pharmacophore is examined and the modified peptides were synthesized by solid phase methodology. Biological studies confirmed the production of selective, potent and in some cases orally available ligands.
Cost-effectiveness of pelvic exenteration for locally advanced malignancy
Authors: Koh C E , Badgery-Parker T , Salkeld G , Young J M , Heriot A G , Solomon M J 
Published: August 2016

Abstract

Background
The rising cost of healthcare is well documented. The purpose of this study was to determine the cost-effectiveness of pelvic exenteration (PE).

Methods
Consecutive patients referred for consideration of PE between 2008 and 2011 were recruited into a prospective non-randomized study that compared quality of life (QoL) between patients who did or did not undergo PE. Information on QoL and cost (in Australian dollars, AUD) was collected at baseline, during admission and up to 24 months after discharge. QoL data were converted into a utility-based measure. Quality-adjusted life-years (QALYs) were calculated. Bottom-up costing was performed. The incremental cost-effectiveness ratio (ICER) was calculated per life-year saved and per QALY.

Results
There were 174 patients with sufficient data for analysis. Of these, 139 underwent PE. R0 was achieved in 78·4 per cent of patients. The survival rate at 24 months after PE was 74·8 per cent compared with 43 per cent in those without exenteration (P = 0·001). Treatment costs were significantly higher for patients who had PE compared with those who did not (mean AUD 137 407 versus 79 174; P &lt; 0·001). The ICER was AUD 124 147 (95 per cent c.i. 71 585 to 261 876) per life-year saved and AUD 227 330 (109 974 to 1 100 449) per QALY. Curative PE (R0) was found to be more cost-effective than non-curative PE (R1/R2), with an ICER of AUD 101 518 (60 105 to 200 428) versus 390 712 (74 368 to 82 256 739) per life-year saved.

Conclusion
Treatment of advanced pelvic cancers is expensive regardless of the treatment intent. For a cost difference of only AUD 58 000 (€38 264), PE offers a chance of cure, and improves survival and QoL.
Multicentre observational study of surgical system failures in aortic procedures and their effect on patient outcomes
Authors: Lear R , Riga C , Godfrey A D , Falaschetti E , Cheshire N J , Van Herzeele I , Norton C , Vincent C , Darzi A W , Bicknell C D , Gohel M , Hayes P , Joseph T , Sowinski A , Wilson T , Chong P , Gerrard D , Croucher A , Bown M , Gokani V , McCarthy M , Brightwell R , Meyer F , Burrows M , Renton S , Das S , Parsapour S , Nordon I , Baxter S , Shearman Clifford , Jenkins M , Modarai B , Clarke S , Thompson A , Cavanagh S , Gibson A , Coleman Z 
Published: August 2016

Abstract

Background
Vascular surgical care has changed dramatically in recent years with little knowledge of the impact of system failures on patient safety. The primary aim of this multicentre observational study was to define the landscape of surgical system failures, errors and inefficiency (collectively termed failures) in aortic surgery. Secondary aims were to investigate determinants of these failures and their relationship with patient outcomes.

Methods
Twenty vascular teams at ten English hospitals trained in structured self-reporting of intraoperative failures (phase I). Failures occurring in open and endovascular aortic procedures were reported in phase II. Failure details (category, delay, consequence), demographic information (patient, procedure, team experience) and outcomes were reported.

Results
There were strong correlations between the trainer and teams for the number and type of failures recorded during 88 procedures in phase I. In 185 aortic procedures, teams reported a median of 3 (i.q.r. 2–6) failures per procedure. Most frequent failures related to equipment (unavailability, failure, configuration, desterilization). Most major failures related to communication. Fourteen failures directly harmed 12 patients. Significant predictors of an increased failure rate were: endovascular compared with open repair (incidence rate ratio (IRR) for open repair 0·71, 95 per cent c.i. 0·57 to 0·88; P =0·002), thoracic aneurysms compared with other aortic pathologies (IRR 2·07, 1·39 to 3·08; P &lt; 0·001) and unfamiliarity with equipment (IRR 1·52, 1·20 to 1·91; P &lt; 0·001). The major failure total was associated with reoperation (P =0·011), major complications (P = 0·029) and death (P = 0·027).

Conclusion
Failure in aortic procedures is frequently caused by issues with team-working and equipment, and is associated with patient harm. Multidisciplinary team training, effective use of technology and new-device accreditation may improve patient outcomes.
A machine learning approach to identify functional biomarkers in human prefrontal cortex for individuals with traumatic brain injury using functional near‐infrared spectroscopy
Authors: Karamzadeh Nader , Amyot Franck , Kenney Kimbra , Anderson Afrouz , Chowdhry Fatima , Dashtestani Hadis , Wassermann Eric M. , Chernomordik Victor , Boccara Claude , Wegman Edward , Diaz‐Arrastia Ramon , Gandjbakhche Amir H. 
Published: August 2016

AbstractBackgroundWe have explored the potential prefrontal hemodynamic biomarkers to characterize subjects with Traumatic Brain Injury (TBI) by employing the multivariate machine learning approach and introducing a novel task‐related hemodynamic response detection followed by a heuristic search for optimum set of hemodynamic features. To achieve this goal, the hemodynamic response from a group of 31 healthy controls and 30 chronic TBI subjects were recorded as they performed a complexity task.MethodsTo determine the optimum hemodynamic features, we considered 11 features and their combinations in characterizing TBI subjects. We investigated the significance of the features by utilizing a machine learning classification algorithm to score all the possible combinations of features according to their predictive power.Results and ConclusionsThe identified optimum feature elements resulted in classification accuracy, sensitivity, and specificity of 85%, 85%, and 84%, respectively. Classification improvement was achieved for TBI subject classification through feature combination. It signified the major advantage of the multivariate analysis over the commonly used univariate analysis suggesting that the features that are individually irrelevant in characterizing the data may become relevant when used in combination. We also conducted a spatio‐temporal classification to identify regions within the prefrontal cortex (PFC) that contribute in distinguishing between TBI and healthy subjects. As expected, Brodmann areas (BA) 10 within the PFC were isolated as the region that healthy subjects (unlike subjects with TBI), showed major hemodynamic activity in response to the High Complexity task. Overall, our results indicate that identified temporal and spatio‐temporal features from PFC's hemodynamic activity are promising biomarkers in classifying subjects with TBI.
Median arcuate ligament syndrome: Predictor of ischemic complications?
Authors: Arazińska Agata , Polguj Michał , Wojciechowski Andrzej , Trębiński Łukasz , Stefańczyk Ludomir 
Published: August 2016

Median arcuate ligament syndrome (MALS) is a pathologic entity that can affect the celiac axis. Due to the extensive collateral network of mesenteric circulation, stenosis of one mesenteric artery does not lead to significant symptoms. The purpose of this study was to describe multidetector computed tomography (MDCT) angiography findings of celiac artery entrapment by the median arcuate ligament and determine those patients with high risks of ischemic complications. From January 2012 to March 2016, 103 patients with celiac artery (CA) compression by median arcuate ligament were detected. In 23 patients collateral circulation was developed. In order to investigate the problem, we managed to estimate the correlation between range of stenosis of CA and presence of collateral circulation between the celiac artery (CA) and superior mesenteric artery (SMA). A statistically significant correlation was found between range of CA stenosis and collateral circulation presence (Spearman's correlation coefficient 0.339, P < 0.0001). In conclusions, based on our observations, we hypothesize that ischemia as a result of mesenteric vessel narrowing by the median arcuate ligament may occur more often than indicated by clinical symptoms and described in literature. Clin. Anat. 29:1025–1030, 2016. © 2016 Wiley Periodicals, Inc.
Comprehensive Research on Essential Oil and Phenolic Variation in Different Foeniculum vulgare Populations During Transition from Vegetative to Reproductive Stage
Authors: Salami Maryam , Rahimmalek Mehdi , Ehtemam Mohammad Hossein 
Published: August 2016

Chemical composition and antioxidant activity of four fennel populations (England, Spain, Poland and Iran) were investigated during six developmental stages including two vegetative and four reproductive phases. In reproductive phase, the essential oil content of fruits decreased and the maximum content (5.9%) was obtained in immediate fruits. The essential oils were analyzed using GC/MS. trans‐Anethole was the main component of the leaves and the fruits oil. In leaves, it ranged from 41.28% in England at late vegetative stage to 56.6% in Poland population at early vegetative stage. Other major compounds of leaves were limonene, α‐pinene and (Z)‐β‐ocimene. In reproductive phases the trans‐anethole increased dramatically. It varied from 85.25% in immature fruits from Poland to 90.7% in pre‐mature stage from Spain. The highest phenolic content in the extracts at different growth stages obtained 189 mg TAE/g DW at full mature stage of seed in Iran population. The flavonoid of leaves extract ranged from 3 to 7.5 mg QUE/g DW, while in fruits extract varied from 3 to 10.3 mg QUE/g DW. Antioxidant activity of the extracts was evaluated using 1,1‐diphenyl‐2‐picrylhydrazy (DPPH) and β‐carotene model systems. Immature and full mature growth stages of fennel population from Spain indicated the highest activity in quenching of DPPH radical (74.2% and 74.5, respectively). Antioxidant activities of the extracts had high positive correlation with their phenolic contents in all fruit maturity stages. Finally, it might probably be suggested that in fennel the hot and humid condition can lead to increase trans‐anethole, while the hot and dry one can produce higher amount of phenolics and flavonoids.
Abnormal photoreceptor outer segment development and early retinal degeneration in kif3a mutant zebrafish
Authors: Raghupathy Rakesh K. , Zhang Xun , Alhasani Reem H. , Zhou Xinzhi , Mullin Margaret , Reilly James , Li Wenchang , Liu Mugen , Shu Xinhua 
Published: August 2016

Photoreceptors are highly specialized sensory neurons that possess a modified primary cilium called the outer segment. Photoreceptor outer segment formation and maintenance require highly active protein transport via a process known as intraflagellar transport. Anterograde transport in outer segments is powered by the heterotrimeric kinesin II and coordinated by intraflagellar transport proteins. Here, we describe a new zebrafish model carrying a nonsense mutation in the kinesin II family member 3A (kif3a) gene. Kif3a mutant zebrafish exhibited curved body axes and kidney cysts. Outer segments were not formed in most parts of the mutant retina, and rhodopsin was mislocalized, suggesting KIF3A has a role in rhodopsin trafficking. Both rod and cone photoreceptors degenerated rapidly between 4 and 9 days post fertilization, and electroretinography response was not detected in 7 days post fertilization mutant larvae. Loss of KIF3A in zebrafish also resulted in an intracellular transport defect affecting anterograde but not retrograde transport of organelles. Our results indicate KIF3A plays a conserved role in photoreceptor outer segment formation and intracellular transport.
Potassium‐Activated Wire Mesh: A Stable Monolithic Catalyst for Diesel Soot Combustion
Authors: Qi Guolu , Zhang Yexin , Chen Aibing , Yu Yifeng 
Published: August 2016

AbstractPotassium‐modified FeCrAl alloy wire mesh was developed as a catalytic diesel particulate filter to suppress the emission of soot from a diesel engine. Potassium species were deposited on wire mesh by a chemical vapor deposition method, in which a model soot was used to convert KOH into metallic K at high temperatures to subsequently activate the wire mesh. Tests showed that metallic K reacted with the enriched Al2O3 component on the surface derived from segregation and successive oxidation during precalcination. The resulting layer of K‐O‐Al species offers remarkable activity and stability for the catalytic oxidation of diesel soot. The K‐activated wire mesh could lower the initial temperature of soot combustion and maintain the activity for several cycles.
Oxidative Coupling of Methane: Opportunities for Microkinetic Model‐Assisted Process Implementations
Authors: Obradović Ana , Thybaut Joris W. , Marin Guy B. 
Published: August 2016

AbstractOxidative coupling of methane is a low‐cost alternative for ethylene production. However, its high exothermicity, complex reaction network, and low selectivity to C2 products require more in‐depth analysis for economically viable process implementation. Microkinetic modeling enables assessment of operating conditions and catalyst properties on the overall performance via elementary gas‐phase and catalytic reactions. The know‐how to reproduce and interpret experimental kinetic data, especially the role of highly reactive intermediate species, is crucial for correct reaction network determination. Once the catalyst descriptors, physical catalyst properties, and operating conditions are determined and optimized, next catalyst generations can be developed tailored to the process implementation.
A Highly Selective Potassium Sensor for the Detection of Potassium in Living Tissues
Authors: Depauw Alexis , Dossi Elena , Kumar Naresh , Fiorini‐Debuisschert Céline , Huberfeld Gilles , Ha‐Thi Minh‐Huong , Rouach Nathalie , Leray Isabelle 
Published: August 2016

AbstractThe development of highly selective sensors for potassium is of great interest in biology. Two new hydrosoluble potassium sensors (Calix‐COU‐Alkyne and Calix‐COU‐Am) based on a calix[4]arene bis(crown‐6) and an extended coumarin were synthesized and characterized. The photophysical properties and complexation studies of these compounds have been investigated and show high molar extinction coefficients and high fluorescence quantum yields. Upon complexation with potassium in the millimolar concentration range, an increase of one‐ and two‐photon fluorescence emission is detected. A twofold fluorescence enhancement is observed upon excitation at λ=405 nm. The ligands present excellent selectivity for potassium in the presence of various competitive cations in water and in a physiological medium. The photophysical properties are not affected by the presence of a large amount of competing cations (Na+, Ca2+, Mg2+, etc.). Ex vivo measurements on mouse hippocampal slices show that Calix‐COU‐Alkyne accumulates extracellularly and does not alter the neuronal activity. Furthermore, the sensor can be utilized to monitor slow extracellular K+ increase induced by inhibition of K+ entry into the cells.
One‐Pot Evolution of Ageladine A through a Bio‐Inspired Cascade towards Selective Modulators of Neuronal Differentiation
Authors: Iwata Takayuki , Otsuka Satoshi , Tsubokura Kazuki , Kurbangalieva Almira , Arai Daisuke , Fukase Koichi , Nakao Yoichi , Tanaka Katsunori 
Published: August 2016

AbstractA bio‐inspired cascade reaction has been developed for the construction of the marine natural product ageladine A and a de novo array of its N1‐substituted derivatives. This cascade features a 2‐aminoimidazole formation that is modeled after an arginine post‐translational modification and an aza‐electrocyclization. It can be effectively carried out in a one‐pot procedure from simple anilines or guanidines, leading to structural analogues of ageladine A that had been otherwise synthetically inaccessible. We found that some compounds out of this structurally novel library show a significant activity in modulating the neural differentiation. Namely, these compounds selectively activate or inhibit the differentiation of neural stem cells to neurons, while being negligible in the differentiation to astrocytes. This study represents a successful case in which the native biofunction of a natural product could be altered by structural modifications.
ChemInform Abstract: Pressure‐Induced Structural and Electronic Transition in Sr2ZnWO6 Double Perovskite.
Authors: Li Nana , Manoun Bouchaib , Tang Lingyun , Ke Feng , Liu Fengliang , Dong Haini , Lazor Peter , Yang Wenge 
Published: August 2016

AbstractPolycrystalline Sr2ZnWO6 is prepared by staged calcination of stoichiometric amounts of SrCO3, ZnO, and WO3 in air (Al2O3 crucible, 1.
ChemInform Abstract: Synthesis of Hierarchical Sb2MoO6 Architectures and Their Electrochemical Behaviors as Anode Materials for Li‐Ion Batteries.
Authors: Lu Xuan , Wang Zhenyu , Lu Lu , Yang Guang , Niu Chunming , Wang Hongkang 
Published: August 2016

AbstractHierarchical Sb2MoO6 nanostructures assembled from nanobelts are hydrothermally prepared from aqueous mixtures of Na2MoO4 and SbF3 (microwave digestion tank, microwave irradiation, 160 °C, 90 min) and characterized by powder XRD, SEM, TEM, and electrochemical measurements.