bluuebunny/crossref_metadata_2025_split huggingface dataset:
From Chemical Topology to Molecular Machines (Nobel Lecture)
Authors: Sauvage Jean‐Pierre 
Published: June 2017

AbstractTo a large extent, the field of “molecular machines” started after several groups were able to prepare, reasonably easily, interlocking ring compounds (named catenanes for compounds consisting of interlocking rings and rotaxanes for rings threaded by molecular filaments or axes). Important families of molecular machines not belonging to the interlocking world were also designed, prepared, and studied but, for most of them, their elaboration was more recent than that of catenanes or rotaxanes. Since the creation of interlocking ring molecules is so important in relation to the molecular machinery area, we will start with this aspect of our work. The second part will naturally be devoted to the dynamic properties of such systems and to the compounds for which motions can be directed in a controlled manner from the outside, that is, molecular machines. We will restrict our discussion to a very limited number of examples which we consider as particularly representative of the field.
Manganese(I)‐Catalyzed Regio‐ and Stereoselective 1,2‐Diheteroarylation of Allenes: Combination of C−H Activation and Smiles Rearrangement
Authors: Chen Shi‐Yong , Han Xiang‐Lei , Wu Jia‐Qiang , Li Qingjiang , Chen Yunyun , Wang Honggen 
Published: June 2017

AbstractHeteroarenes are important structural motif in functional molecules. A MnI‐catalyzed 1,2‐diheteroarylation of allenes via a C−H activation/Smiles rearrangement cascade is presented. The reaction occurred under additive‐free or even solvent‐free conditions, which allowed the creation of two C−C and one C−N bonds in a single operation. A series of structurally diverse bicyclic or tricyclic compounds bearing an exocyclic double bond were constructed in good to excellent efficiency. The decarboxylative ring‐opening of the products led to the facile synthesis of vicinal biheteroaryls. Synthetic applications were demonstrated and preliminary mechanistic studies were conducted.
Biosynthesis of Complex Indole Alkaloids: Elucidation of the Concise Pathway of Okaramines
Authors: Lai Chen‐Yu , Lo I‐Wen , Hewage Ranuka T. , Chen Yi‐Chen , Chen Chien‐Ting , Lee Chi‐Fang , Lin Steven , Tang Man‐Cheng , Lin Hsiao‐Ching 
Published: June 2017

AbstractThe okaramines are a class of complex indole alkaloids isolated from Penicillium and Aspergillus species. Their potent insecticidal activity arises from selectively activating glutamate‐gated chloride channels (GluCls) in invertebrates, not affecting human ligand‐gated anion channels. Okaramines B (1) and D (2) contain a polycyclic skeleton, including an azocine ring and an unprecedented 2‐dimethyl‐3‐methyl‐azetidine ring. Owing to their complex scaffold, okaramines have inspired many total synthesis efforts, but the enzymology of the okaramine biosynthetic pathway remains unexplored. Here, we identified and characterized the biosynthetic gene cluster (oka) of 1 and 2, then elucidated the pathway with target gene inactivation, heterologous reconstitution, and biochemical characterization. Notably, we characterized an α‐ketoglutarate‐dependent non‐heme FeII dioxygenase that forged the azetidine ring on the okaramine skeleton.
Structural effect of secondary antioxidants on mechanical properties and stabilization efficiency of polyamide 6/halloysite nanotube composites during heat ageing
Authors: Boonkongkaew Marnviga , Hornsby Peter , Sirisinha Kalyanee 
Published: June 2017

ABSTRACTHindered phenol (Irganox 1010) was combined with two kinds of secondary antioxidants [i.e., tris(2,4‐di‐tert‐butylphenyl) phosphite (Irgafos168) and tris(nonylphenyl) phosphite (TNPP)] to form antioxidant mixtures, and their influences on mechanical properties and thermo‐oxidative degradation of polyamide 6 (PA6) and halloysite nanotube (HNT) filled composites were investigated. The results showed that the antioxidant combinations provided an improvement in the oxidative induction time, decomposition temperature (Td), processability, and tensile properties of PA6. Irganox/TNPP (1:1) was found to exhibit the best thermal oxidative resistance. The study of heat ageing in the air oven at 130 °C showed that the stabilized composites with 5 wt % of HNT could retain 92% of strength without loss of modulus. The physical characteristics of antioxidants such as low volatility and possible interaction with filler in the composites played a crucial role in stabilizing efficiency during heat ageing. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45360.
Preparation and characterization of surface‐modified ammonium polyphosphate and its effect on the flame retardancy of rigid polyurethane foam
Authors: Chen Yajun , Li Linshan , Wang Wei , Qian Lijun 
Published: June 2017

ABSTRACTA functional surface‐modification agent was synthesized via a reaction between hexachlorocyclotriphosphazene and γ‐aminopropyl triethoxysilane. Ammonium polyphosphate (APP) was modified with this agent and then incorporated into a rigid polyurethane foam (RPUF). Fourier transform infrared spectroscopy, 1H‐NMR, and X‐ray photoelectron spectroscopy were used to characterize the modified ammonium polyphosphate (M‐APP). The results show that the dispersibility was improved and the particle size decreased after the modification. The limiting oxygen index and cone calorimetry test results show that M‐APP enhanced the flame‐retardant properties of RPUF. The peak heat‐release rate of polyurethane (PU)/20% M‐APP decreased by 51.18% compared with that of PU–APP. The scanning electron microscopy results illustrate that M‐APP facilitated the formation of intumescent and compact char. The excellent flame‐retardant performance of M‐APP resulted from the flame‐inhibition and barrier effects, which were attributed to the phosphazene group and the intumescent char, respectively. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45369.
Synthesis of high‐density polyethylene/rGO‐CNT‐Fe nanocomposites with outstanding magnetic and electrical properties
Authors: Nisar Muhammad , Bergmann Carlos Pérez , Geshev Julian , Quijada Raúl , Maraschin Thuany , de Souza Basso Nara R. , Barrera Eliana G. , Galland Griselda Barrera 
Published: June 2017

ABSTRACTSemi‐conducting polyethylene (PE) nanocomposites with outstanding magnetic properties at room temperature were synthesized. These exceptional properties, for a diamagnetic and insulating matrix as PE, were obtained by polymerizing ethylene in the presence of a catalytic system formed by a metallocene catalyst supported on a mixture of reduced graphene oxide (rGO) and carbon nanotubes with encapsulated iron (CNT‐Fe). It was used a constant and very low amount of CNT‐Fe, obtained by vapor chemical deposition using ferrocene. The percolation threshold, to achieve conductivity, was obtained using a variable amount of rGO. The nanocomposites were semiconductors with the addition of 2.8 wt % and 6.0 wt % of the filler, with electrical conductivities of 4.99 × 10−6 S cm−1 and 7.29 × 10−4 S cm−1, respectively. Very high coercivity values of 890–980 Oe at room temperature were achieved by the presence of only 0.04–0.06 wt % of iron in the nanocomposites. The novelty of this work is the production of a thermoplastic with both, magnetic and electric properties at room temperature, by the use of two fillers, that is rGO and CNT‐Fe. The use of a small amount of CNT‐Fe to produce the magnetic properties and variable amount of rGO to introduce the electrical conductivity in PE matrix let to balance both properties. The encapsulation strategy used to obtain Fe in CNT, protect Fe from easy oxidation and aggregation. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45382.
Comparison of Manual and Automated Measurements of Tracheobronchial Airway Geometry in Three Balb/c Mice
Authors: Islam Asef , Oldham Michael J. , Wexler Anthony S. 
Published: June 2017

ABSTRACTMammalian lungs are comprised of large numbers of tracheobronchial airways that transition from the trachea to alveoli. Studies as wide ranging as pollutant deposition and lung development rely on accurate characterization of these airways. Advancements in CT imaging and the value of computational approaches in eliminating the burden of manual measurement are providing increased efficiency in obtaining this geometric data. In this study, we compare an automated method to a manual one for the first six generations of three Balb/c mouse lungs. We find good agreement between manual and automated methods and that much of the disagreement can be attributed to method precision. Using the automated method, we then provide anatomical data for the entire tracheobronchial airway tree from three Balb/C mice. Anat Rec, 2017. © 2017 Wiley Periodicals, Inc. Anat Rec, 300:2046–2057, 2017. © 2017 Wiley Periodicals, Inc.
The flow and fate of digestive enzymes in the field cricket, Gryllus bimaculatus
Authors: Woodring Joseph 
Published: June 2017

AbstractThe flow of enzymes, the ratio of bound to unbound enzymes, and their inactivation in the cricket Gryllus bimaculatus was studied. The digestive enzymes are forced forward into the crop by caecal contraction and then they are mixed with freshly chewed food and saliva, forming a crop‐chyme. This chyme is blended by crop peristalsis, and periodic opening of the preproventricular valve (PPV) allows posterior movement into the proventriculus and further into the midgut. The contraction of the crop is modulated by Grybi‐AST and Grybi‐SK peptides, which are partially secreted by the caecal endocrine cells. Most of the aminopeptidase and the four disaccharidases examined are membrane bound (62–80%); the remaining (20–38%) as well all trypsin, chymotrypsin, lipase, and amylase are secreted free into the caecal lumen. Cricket trypsin loses only 30% of its activity in 4 h and very little thereafter. The presence of digestive products in the lumen appears to retard further trypsin autolysis. Cricket trypsin digests 42% of the chymotrypsin, 37% of the lipase, and 45% of the amylase in the caecal fluids over 24 h in vitro no significant difference. Without Ca ion amylase was almost completely digested. About 50% of the membrane bound and free aminopeptidase was digested in the caecal lumen, and about 30–38% of the bound and free maltase. This loss of digestive enzyme activity is possible, because enzyme secretion rates are high, the unbound enzymes are effectively recycled, and the time of nutrient passage is short.
Evaluation of flubendiamide‐induced mitochondrial dysfunction and metabolic changes in Helicoverpa armigera (Hubner)
Authors: Nareshkumar Bharat , Akbar Shaik Mohammad , Sharma Hari Chand , Jayalakshmi Senigala K. , Sreeramulu Kuruba 
Published: June 2017

AbstractPhthalic acid diamide insecticides are the most effective insecticides used against most of the lepidopteran pests including Helicoverpa armigera, a polyphagous pest posing threat to several crops worldwide. The present studies were undertaken to understand different target sites and their interaction with insect ryanodine receptors (RyR). Bioassays indicated that flubendiamide inhibited the larval growth in dose‐dependent manner with LD50 value of 0.72 μM, and at 0.8 μM larval growth decreased by about 88%. Flubendiamide accelerated the Ca2+‐ATPase activity in dose‐dependent trend, and at 0.8 μM, the activity was increased by 77.47%. Flubendiamide impedes mitochondrial function by interfering with complex I and F0F1‐ATPase activity, and at 0.8 μM the inhibition was found to be about 92% and 50%, respectively. In vitro incubation of larval mitochondria with flubendiamide induced the efflux of cytochrome c, indicating the mitochondrial toxicity of the insecticide. Flubendiamide inhibited lactate dehydrogenase and the accumulation of H2O2, thereby preventing the cells from lipid peroxidation compared to control larvae. At 0.8 μM the LDH, H2O2 content and lipid peroxidation was inhibited by 98.44, 70.81, and 70.81%, respectively. Cytochrome P450, general esterases, AChE, and antioxidant enzymes (catalase and superoxide dismutase) exhibited a dose‐dependent increasing trend, whereas alkaline phosphatase and the midgut proteases, except amino peptidase, exhibited dose‐dependent inhibition in insecticide‐fed larvae. The results suggest that flubendiamide induced the harmful effects on the growth and development of H. armigera larvae by inducing mitochondrial dysfunction and inhibition of midgut proteases, along with its interaction with RyR.
Meta-analysis of health-related quality of life after minimally invasive versus open oesophagectomy for oesophageal cancer
Authors: Kauppila J H , Xie S , Johar A , Markar S R , Lagergren P 
Published: June 2017

Abstract

Background
The aim of this systematic review and meta-analysis was to compare health-related quality of life (HRQoL) outcomes between minimally invasive and open oesophagectomy for cancer at different postoperative time points.

Methods
A search of PubMed (MEDLINE), Web of Science, Embase, Scopus, CINAHL and the Cochrane Library was performed for studies that compared open with minimally invasive oesophagectomy. A random-effects meta-analysis was conducted for studies that measured HRQoL scores using the European Organisation for Research and Treatment of Cancer (EORTC) QLQ-C30 and QLQ-OES18 questionnaires. Mean differences (MDs) greater than 10 in scores were considered clinically relevant. Pooled effects of MDs with 95 per cent confidence intervals were estimated to assess statistical significance.

Results
Nine studies were included in the qualitative analysis, involving 1157 patients who had minimally invasive surgery and 907 patients who underwent open surgery. Minimally invasive surgery resulted in better scores for global quality of life (MD 11·61, 95 per cent c.i. 3·84 to 19·39), physical function (MD 11·88, 3·92 to 19·84), fatigue (MD −13·18, −17·59 to −8·76) and pain (MD −15·85, −20·45 to −11·24) compared with open surgery at 3 months after surgery. At 6 and 12 months, no significant differences remained.

Conclusion
Patients report better global quality of life, physical function, fatigue and pain 3 months after minimally invasive surgery compared with open surgery. No such differences remain at longer follow-up of 6 and 12 months.
Translation in cardiovascular stents and occluders: From biostable to fully degradable
Authors: Huang Yingying , Wong Yee Shan , Ng Herr Cheun Anthony , Boey Freddy Y. C. , Venkatraman Subbu 
Published: June 2017

AbstractCardiovascular disease is a major cause of morbidity and mortality, especially in developed countries. Most academic research efforts in cardiovascular disease management focus on pharmacological interventions, or are concerned with discovering new disease markers for diagnosis and monitoring. Nonpharmacological interventions with therapeutic devices, conversely, are driven largely by novel materials and device design. Examples of such devices include coronary stents, heart valves, ventricular assist devices, and occluders for septal defects. Until recently, development of such devices remained largely with medical device companies. We trace the materials evolution story in two of these devices (stents and occluders), while also highlighting academic contributions, including our own, to the evolution story. Specifically, it addresses not only our successes, but also the challenges facing the translatability of concepts generated via academic research.
Design and optimisation of an efficient HDF5 I/O Kernel for massive parallel fluid flow simulations
Authors: Ertl Christoph , Frisch Jérôme , Mundani Ralf‐Peter 
Published: June 2017

SummaryMore and more massive parallel codes running on several hundreds of thousands of cores are entering the computational science and engineering domain, allowing high‐fidelity computations on up to trillions of unknowns for very detailed analyses of the underlying problems. Such runs typically produce gigabytes of data, hindering both efficient storage and (interactive) data exploration. Advanced approaches based on inherently distributed data formats such as hierarchical data format version 5 become necessary here to avoid long latencies when storing the data and to support fast (random) access when retrieving the data for visual processing. This paper shows considerations and implementation aspects of an I/O kernel based on hierarchical data format version 5 that supports fast checkpointing, restarting, and selective visualisation using a single shared output file for an existing computational fluid dynamics framework. This functionality is achieved by including the framework's hierarchical data structure in the file, which also opens the door for additional steering functionality. Finally, the performance of the kernel's write routines are presented. Bandwidths close to the theoretical peak on modern supercomputing clusters were achieved by avoiding file‐locking and using collective buffering.
Scheduling real‐time bag‐of‐tasks applications with approximate computations in SaaS clouds
Authors: Stavrinides Georgios L. , Karatza Helen D. 
Published: June 2017

SummarySoftware as a Service (SaaS) cloud computing has emerged as an attractive platform to tackle various problems of the traditional software distribution model, such as the requirement to acquire and maintain expensive hardware and software infrastructure. SaaS, however, involves many challenges, mainly due to the heterogeneity and multitenancy of the underlying host environment, as well as the nature of the applications executed on such platforms. Applications are usually bags‐of‐tasks, consisting of independent component tasks that can be executed in any order, featuring different degrees of variability in their computational demands. Furthermore, according to the service level agreement between the cloud provider and the end‐users, the execution of such applications must typically complete within a deadline, providing results of acceptable quality. Consequently, one of the most important aspects of SaaS cloud computing is the effective scheduling of multiple parallel applications, avoiding any service level agreement violations. Towards this direction, our contribution in this paper is twofold: (1) We enhance some of the most commonly used scheduling algorithms for bag‐of‐tasks applications, by utilizing approximate computations, and (2) we investigate the impact of different levels of variability in the computational demands of the applications on the performance of the examined heuristics.
A new approach to measuring patience in preschoolers
Authors: Barragan‐Jason Gladys , Atance Cristina M. 
Published: June 2017

AbstractPatience in children has usually been studied using delay of gratification paradigms. However, another important aspect of patience that has not been well documented is the ability to adjust one's behavior while waiting without an explicit reward as a motivator (e.g., sitting in the doctor's waiting room). To examine this aspect of patience, video‐recordings of sixty‐one 3‐ and 4‐year olds waiting for two separate 3‐min periods were examined and coded for children's spontaneous behaviors. We found that 4‐year olds displayed more patient (i.e., staying still) behaviors than 3‐year olds during this “waiting paradigm.” Interestingly, we also found that children who displayed less patient behaviors during the waiting paradigm were also those who succeeded on a future‐thinking task. These findings have important implications for measuring patience in young children and highlight the potential impact of spontaneous behaviors on children's performance in cognitive tasks such as those assessing future‐oriented cognition.
Habitat coupling writ large: pelagic‐derived materials fuel benthivorous macroalgal reef fishes in an upwelling zone
Authors: Docmac Felipe , Araya Miguel , Hinojosa Ivan A. , Dorador Cristina , Harrod Chris 
Published: June 2017

AbstractCoastal marine upwelling famously supports elevated levels of pelagic biological production, but can also subsidize production in inshore habitats via pelagic‐benthic coupling. Consumers inhabiting macroalgae‐dominated rocky reef habitats are often considered to be members of a food web fuelled by energy derived from benthic primary production; conversely, they may also be subsidized by materials transported from pelagic habitats. Here, we used stable isotopes (δ13C, δ15N) to examine the relative contribution of pelagic and benthic materials to an ecologically and economically important benthivorous fish assemblage inhabiting subtidal macroalgae‐dominated reefs along ~1,000 km of the northern Chilean coast where coastal upwelling is active. Fish were isotopically most similar to the pelagic pathway and Bayesian mixing models indicated that production of benthivorous fish was dominated (median 98%, range 69–99%) by pelagic‐derived C and N. Although the mechanism by which these materials enter the benthic food web remains unknown, our results clearly highlight the importance of pelagic‐benthic coupling in the region. The scale of this subsidy has substantial implications for our basic understanding of ecosystem functioning and the management of nearshore habitats in northern Chile and other upwelling zones worldwide.
Pomegranate seed oil organogels structured by propolis wax, beeswax, and their mixture
Authors: Fayaz Goly , Goli Sayed Amir Hossein , Kadivar Mahdi , Valoppi Fabio , Barba Luisa , Balducci Claudia , Conte Lanfranco , Calligaris Sonia , Nicoli Maria Cristina 
Published: June 2017

The capability of propolis wax, beeswax, and their mixture to gel pomegranate seed oil (PSO) was studied. Samples were prepared increasing the concentration of waxes in pomegranate seed oil from 5 to 15% w/w. After propolis wax, beeswax, and PSO chemical characterization, thermal, and structural properties of wax‐based organogels were studied. Both propolis wax and beeswax formed organogel thanks to the presence of crystal networks made of needle‐like β′‐form crystals. Based on FTIR spectroscopy, mainly van der Waals interactions were formed in the systems. Propolis wax organogels displayed lower firmness and G′ and G″ modulus in comparison to the corresponding beeswax samples. This was due to the presence of larger crystals with a less organized network. The observed behaviors were attributed to differences in chemical composition between these two types of waxes. The combined use of propolis wax and beeswax led to organogels with behavior in between the organogels with single waxes, probably as a consequence of the formation of mixed crystals.Practical applications: Pomegranate seed oil (PSO) with considerable amounts of polyunsaturated fatty acids can be convert into structured systems by oil gelation as a novel strategy to delivery it in a system that allows its incorporation in the food matrix. The obtain data acquired in this research highlight that propolis and bees waxes and their mixture can be considered as good gelators of PSO. The final structure of the organogel can be tailored by selecting the organogelator and its concentration in the use of fat based alternative in food products need β′‐form crystals such as spreads and margarines.The aim of the present research is to develop pomegranate seed oil (PSO) organogels by using beeswax, propolis wax, and their mixture. Organogels are characterized by using different techniques, including polarized light microscopy (PLM), Fourier transform infrared (FTIR) spectroscopy, DSC analysis, synchrotron X‐ray diffraction, rheology, and mechanical properties. In accordance with findings, both propolis and bees waxes can be considered as good gelators of PSO. Depending on intended food application, the final structure of the organogel can be tailored by selecting the organogelator and its concentration.