bluuebunny/crossref_metadata_2025 huggingface dataset:
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

Heteroarenes 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

The 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

Hindered 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

A 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

Semi‐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

Mammalian 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

The 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

Phthalic 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

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

Cardiovascular 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.
Resolution enhancement of overlapped peaks of ion mobility spectrometry based on stationary wavelet transform
Authors: Sheibani Ali , Saeedi‐Sourck Hamid , Tabrizchi Mahmoud
Published: June 2017

Lack of sufficient resolving power is one common problem in quantitative determination using ion mobility spectrometry (IMS) method. This paper proposes a new application of stationary wavelet transform (SWT) in resolving the overlapped peaks in IMS. Firstly, the ion product overlapped peaks are denoised by wavelet transform and secondly, the overlapping peaks are resolved by looking into coefficients of SWT. One‐ and two‐component overlapping ion peaks of IMS are processed with the developed SWT method, which yields the significant improvement of resolution.
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

More 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

Software 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

Patience 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

Coastal 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.
One‐Pot, Atom and Step Economy (PASE) Assembly of Trifluoromethylated Pyrimidines from CF3‐Ynones
Authors: Romanov Alexey R. , Rulev Alexander Yu. , Ushakov Igor A. , Muzalevskiy Vasiliy M. , Nenajdenko Valentine G.
Published: June 2017

A highly efficient synthetic method for the preparation of of 6‐trifluoromethylated pyrimidines was developed. The reaction of CF3‐substituted ynones and nitrogen 1,3‐bis(nucleophile)s was employed for the one‐pot assembly of the pyrimidine core. The cascade route proceeded through an aza‐Michael addition, intramolecular cyclization, and dehydration reaction sequence to give the target heterocycles in excellent yields (up to 97 %). When acetamidine was used as the bis(nucleophile), the unexpected addition of two equivalents of the CF3‐substituted ynone to the acetamidine was observed.
Transcriptional and histological alterations in gonad of adult zebrafish after exposure to the synthetic progestin norgestrel
Authors: Shi Wen-Jun , Zhao Jian-Liang , Jiang Yu-Xia , Huang Guo-Yong , Liu You-Sheng , Zhang Jin-Na , Ying Guang-Guo
Published: June 2017

The aim of the present study was to investigate the effects of norgestrel (NGT) on gonadal development in adult zebrafish. Adult zebrafish were exposed to NGT for 14 d at 871 ng L−1 for microarray analysis, and a follow-up experiment was conducted to further study the targeted pathway in adult zebrafish after exposure to NGT at 6.7, 83, and 912 ng L−1 by quantitative polymerase chain reaction (qPCR) and histological analysis. The microarray analysis revealed that 11 545 transcripts were identified. Gene ontology analysis showed organ development, system development, multicellular organismal development, single-organism developmental process, and developmental process were significantly enriched. A Venn diagram displayed 434 target genes involved in organ development, and these genes were common in these 5 development-related processes. Kyoto Encyclopedia of Genes and Genomes analysis showed that the notch signaling pathway was the top toxicity pathway, and it was selected as the target pathway for further qPCR analysis. The qPCR analysis revealed significant and dose-dependent alterations of most target genes involved in the notch signaling pathway in the gonads, even at an environmentally relevant concentration of 6.7 ng L−1. The transcriptional patterns were consistent with the notch signaling cascade. In addition, NGT significantly increased the frequency of mature sperm and decreased the frequency of immature sperm at all concentrations. Meanwhile, NGT treatment increased the percentage of mature vitellogenic oocytes and atretic follicles at 912 ng L−1 but decreased the percentage of immature vitellogenic oocytes. Thus, the present study demonstrated significant developmental toxicity in the gonad of adult zebrafish even at environmentally relevant NGT concentrations. Environ Toxicol Chem 2017;36:3267–3276. © 2017 SETAC
The risk of violence associated with novel psychoactive substance misuse in patients presenting to acute mental health services
Authors: Shafi Abu , Gallagher Paul , Stewart Neil , Martinotti Giovanni , Corazza Ornella
Published: June 2017

Novel psychoactive substance (NPS) availability is increasing at a phenomenal rate and so is their associated misuse. Currently, the harms associated with NPS misuse are unclear. This report presents the initial findings of a continuing study looking into the impact of NPS misuse on admissions to an acute mental health facility in London. Violence preadmission and violence during admission have been found to be significant in NPS misusers compared to non‐NPS substance misusers. Our findings have important consequences for acute mental health, emergency, and public health services. NPS misusers require specific assessment and risk management to reduce the risk of violence towards others.
Quantitative risk assessment to guide the treatment of cesarean scar pregnancy
Authors: Fang Qingxian , Sun Li , Tang Yunhui , Qian Cuifeng , Yao Xiaoying
Published: June 2017

Objective

To develop a risk‐factor scoring system for the prediction of bleeding during ultrasound‐guided dilation and curettage (D&C) for cesarean scar pregnancy (CSP).

Methods

The retrospective study included patients with a CSP of 31–67 days who underwent transabdominal ultrasonography‐guided D&C in 2010–2014. Binary logistic regression analysis was used to identify risk factors for the need of Foley catheter hemostasis. The predictive accuracy of a risk‐scoring system based on significant factors was evaluated by receiver operating curve analysis.

Results

Among 82 included patients, 66 (80%) were successfully treated without any complications, whereas 16 (20%) required Foley catheter compression hemostasis. Four patients who received the Foley catheter needed further treatment. A longer pregnancy duration (odds ratio 1.171, 95% confidence interval 1.050–1.305; P=0.004) and a rich blood supply on ultrasonography (odds ratio 3.282, 95% confidence interval 1.441–4.742; P=0.005) were significant risk factors for the need of compression hemostasis. A scoring system based on these two risk factors would have identified 93.8% of patients requiring compression hemostasis if the optimum cutoff score was used.

Conclusion

Heavy bleeding during transabdominal ultrasound‐guided D&C for CSP is associated with a longer pregnancy duration and a rich blood supply on ultrasonography. The new risk‐scoring system can be used to predict bleeding during surgery.
Polymorphisms of human leukocyte antigen B*27 on clinical phenotype of spondyloarthritis in Chinese
Authors: Ma Hai‐Jun , Yin Qing‐Feng , Liu Yun , Wu Yin , Zhu Tie‐Chui , Guo Ming‐Hao
Published: June 2017

Background

In recent years, an ever‐increasing number of alleles of human leukocyte antigen B*27 (HLA‐B*27) have been identified. This study aimed to establish an updated method for HLA‐B*27 subtyping, and to investigate the impact of HLA‐B*27 polymorphisms on the clinical phenotype of spondyloarthritis (SpA).

Methods

Overall, 184 SpA patients were recruited for analyzing diversity of HLA‐B*27 via an updated high‐resolution polymerase chain reaction amplification with sequence specific primers (PCR‐SSP).

Results

The prevalence of HLA‐B*27 was 94.0%, and four subtypes were identified including HLA‐B*2704 (77.5%), B*2705 (20.2%), B*2707 (1.7%), and B*2724 (0.6%). There was an obvious male predominance (P=.05) and markedly elevated C‐reaction protein (CRP) in B*27 positive SpA (P<.01). In multivariate linear regression analysis, the elevated CRP was positively associated with HLA‐B*27 positivity (regression coefficient B=46.1, P=.0003), grade of sacroiliitis (B=47.5, P=.0032), and male gender (B=20.4, P=.0041). Notably, a male predilection was also found in B*2705 positive SpA while B*2707 was associated with older age, higher positive family history, and higher prevalence of extra‐articular features (all P<.05).

Conclusions

In this study, an updated PCR‐SSP technique to identify increasing alleles of HLA‐B*27 was developed and their different effects on clinical manifestations of SpA were demonstrated. Genotyping of HLA‐B*27 would shed light on our understanding of the pathogenesis of SpA.
High fat diet attenuates hyperglycemia, body composition changes, and bone loss in male streptozotocin‐induced type 1 diabetic mice
Authors: Carvalho Adriana Lelis , DeMambro Victoria E. , Guntur Anyonya R. , Le Phuong , Nagano Kenichi , Baron Roland , de Paula Francisco José Albuquerque , Motyl Katherine J.
Published: June 2017

There is a growing and alarming prevalence of obesity and the metabolic syndrome in type I diabetic patients (T1DM), particularly in adolescence. In general, low bone mass, higher fracture risk, and increased marrow adipose tissue (MAT) are features of diabetic osteopathy in insulin‐deficient subjects. On the other hand, type 2 diabetes (T2DM) is associated with normal or high bone mass, a greater risk of peripheral fractures, and no change in MAT. Therefore, we sought to determine the effect of weight gain on bone turnover in insulin‐deficient mice. We evaluated the impact of a 6‐week high‐fat (HFD) rich in medium chain fatty acids or low‐fat diet (LFD) on bone mass and MAT in a streptozotocin (STZ)‐induced model using male C57BL/6J mice at 8 weeks of age. Dietary intervention was initiated after diabetes confirmation. At the endpoint, lower non‐fasting glucose levels were observed in diabetic mice fed with high fat diet compared to diabetic mice fed the low fat diet (STZ‐LFD). Compared to euglycemic controls, the STZ‐LFD had marked polydipsia and polyphagia, as well as reduced lean mass, fat mass, and bone parameters. Interestingly, STZ‐HFD mice had higher bone mass, namely less cortical bone loss and more trabecular bone than STZ‐LFD. Thus, we found that a HFD, rich in medium chain fatty acids, protects against bone loss in a T1DM mouse model. Whether this may also translate to T1DM patients who are overweight or obese in respect to maintenance of bone mass remains to be determined through longitudinal studies.
Synthesis, Structure, and Biological Activities of 10‐Substituted 3,3,6,6‐Tetramethyl‐9‐Aryl‐3,4, 6,7,9,10‐hexahydroacridine‐1,8(2H,5H)‐dione Derivatives
Authors: Wang Fang‐Ming , Zhou Lei , Li Jun‐Feng , Bao Dan , Chen Li‐Zhuang
Published: June 2017

A series of 10‐substituted‐3,3,6,6‐tetramethyl‐9‐aryl‐3,4,6,7,9,10‐hexahydroacridine‐1,8(2H,5 H)‐dione derivatives 2 were synthesized by reaction of compounds 1 with amines. The compounds 1 were effectively prepared by 5,5‐dimethylcyclohexane‐1,3‐dione and aldehydes in the presence of a little amount of L‐proline as catalyst at room temperature. All the compounds were characterized by IR, MS, and 1H NMR. The crystal data of 1b and 2d were collected by X‐ray single‐crystal diffraction, and compounds 2b and 2d exhibited better inhibitory activity against HepG2 cells.
Synthesis of 2 carbon‐14 analogue of thioflavanones
Authors: Basooti Mohammad , Saadatjoo Naghi , Nemati Firozeh , Shirvani Gholamhossein , Faghih Mohammad Amin Ahmadi , Javaheri Mohsen
Published: June 2017

Thioflavanones are prevalent heterocyclic structural units in pharmaceutical and biologically active compound (Scheme ). In this paper, the synthesis of 2‐phenylthiochroman‐4‐ones and 2‐phenyl‐4H‐1‐benzothiopyran‐4‐one labeled with carboxyl‐14 is demonstrated.
Sensing trace levels of molecular species in solution via zinc oxide nanoprobe Raman spectroscopy
Authors: Cook Andrew L. , Carson Carcia S. , Marvinney Claire E. , Giorgio Todd D. , Mu Richard R.
Published: June 2017

Surface‐enhanced Raman spectroscopy (SERS) has potential for unique clinical, environmental, and military applications, among many others, but it is limited by a rapid decrease in signal with distance from the sensing surface. For this reason, much study of SERS‐based biosensing involves chemical or physical adsorption of analytes to an active surface. Adsorption, however, limits the types of analytes that can be detected and detection sensitivity. The three‐dimensional closely packed architecture of zinc oxide (ZnO) nanowires decorated with silver nanoparticles increases SERS intensity, allowing for adsorption‐free biosensing. This approach greatly expands the potential applications of Raman spectroscopy as a biosensing technique. This work demonstrates a significant SERS enhancement from silver nanoparticle‐decorated ZnO nanoprobes to the Raman spectra of crystal violet, melamine, and adenine solutions. These enhancements were quantified by comparing the intensity of Raman peaks from each of the three solutions through ZnO nanowires decorated with silver nanoparticles with that through bare ZnO nanowires. Estimated enhancement of the Raman signal accounted for the volume difference between solution affected by SERS and solution sensed by the Raman system. More importantly, the detected SERS signal is from molecules in solution and unadsorbed to the sensing surfaces. This lack of adsorption was confirmed by tracking the SERS enhancement of a crystal violet Raman peak over time. This greatly enhances the value and flexibility of Raman spectroscopy as a detection technique for a wide variety of applications. Copyright © 2017 John Wiley & Sons, Ltd.
A decentralized receding horizon optimal approach to formation control of networked mobile robots
Authors: Hosseinzadeh Yamchi Mohammad , Mahboobi Esfanjani Reza
Published: June 2017

This paper presents a receding horizon optimal controller with guaranteed stability for multirobot formation, taking into account collision and obstacle avoidance. The proposed scheme is based on synchronous decentralized strategy wherein all the vehicles that are connected via a packed‐delaying network solve a finite horizon–constrained optimal control problem to obtain their own control action at each sampling instant. First, each robot is modeled by a single integrator dynamics; then, by defining a control law for each robot and considering the effect of communication delay, the closed‐loop dynamics is described as a delay differential equation with tunable parameters. Afterwards, a novel finite‐horizon optimal control setup is established to obtain these adjustable gains such that a desirable formation is achieved. The efficiency and applicability of the suggested scheme are demonstrated by simulation results.
High Gas Uptake and Selectivity in Hyper‐Crosslinked Porous Polymers Knitted by Various Nitrogen‐Containing Linkers
Authors: Jia Ziyan , Pan Jiannan , Yuan Daqiang
Published: June 2017

By introducing various N‐containing compounds as efficient linkers, a series of hyper‐crosslinked porous polymers with high surface areas and gas‐uptake values were synthesized by using the Friedel–Crafts alkylation reaction. Structural characterization indicated the presence of nitrogen atoms, and gas‐sorption experiments revealed that the high gas uptake benefitted from the high surface areas and the incorporation of N‐containing linkers as Lewis basic sites. Among these porous polymers, HCP‐4 had the highest H2 uptake of 9.29 mmol g−1 at 77 K and 0.1 MPa and the highest C2H2 uptake of 6.69 mmol g−1 at 273 K and 0.1 MPa, whereas HCP‐3 showed the best CO2 uptake of 4.42 mmol g−1 at 273 K and 0.1 MPa. To understand better the important role played by nitrogen in these polymers, the isosteric heat of adsorption and adsorption selectivity of CO2 over N2 were calculated. The results showed that the triazine‐based polymer HCP‐1 had the highest CO2 over N2 selectivity of 75.4 at 295 K and 0.1 MPa, which makes it the most potential candidate for CO2 capture.
Emerging Biomarkers of Illness Severity: Urinary Metabolites Associated with Sepsis and Necrotizing Methicillin‐Resistant Staphylococcus aureus Pneumonia
Authors: Ambroggio Lilliam , Florin Todd A. , Shah Samir S. , Ruddy Richard , Yeomans Larisa , Trexel Julie , Stringer Kathleen A.
Published: June 2017

Our objective was to illustrate the potential of metabolomics to identify novel biomarkers of illness severity in a child with fatal necrotizing pneumonia caused by methicillin‐resistant Staphylococcus aureus (MRSA). We present a case report with two control groups and a metabolomics analysis: an infant with fatal MRSA pneumonia, four children with influenza pneumonia (pneumonia control group), and seven healthy children with no known infections (healthy control group). Urine samples were collected from all children. Metabolites were identified and quantified using 1H‐nuclear magnetic resonance spectrometry. Normalized metabolite concentration data from children with influenza pneumonia and healthy controls were compared by using an unpaired Student t test. To identify differentiating metabolites of MRSA pneumonia, the fold change of each metabolite was calculated by dividing each urine metabolite concentration of the patient with fatal MRSA pneumonia by the median urine concentration values of the same metabolite of the patients with influenza pneumonia and healthy controls, respectively. MetScape (http://metscape.ncibi.org/), a bioinformatics tool, was used for data visualization and interpretation. Urine metabolite concentrations previously identified as associated with sepsis in children (e.g., 3‐hydroxybutyrate, carnitine, and creatinine) were higher in the patient with fatal MRSA pneumonia compared with those of patients with influenza pneumonia and healthy controls. The concentrations of additional metabolites—acetone, acetoacetate, choline, fumarate, glucose, and 3‐aminoisobutyrate—were more than 25‐fold higher in the patient with MRSA pneumonia than those of patients with influenza pneumonia and healthy controls. These metabolic changes in the urine preceded the clinical severe sepsis phenotype, suggesting that detection of the extent of metabolic disruption can aid in the early identification of a sepsis phenotype in advance of the clinical diagnosis. These data also support the utility of metabolomics for the development of clinical assays to identify patients with pediatric pneumonia at high risk for deterioration.
Perspective on Precision Medicine in Oncology
Authors: Johnson Tali M.
Published: June 2017

The topic of precision medicine is increasingly more prevalent in the general medical literature, with oncology research leading the way. Many factors, such as availability of targeted drugs, advances in laboratory science, and improved information systems, converged to make precision medicine research possible on a large scale at the National Cancer Institute. The resultant big data will spur new kinds of research in the decades to come, but until then, all clinicians are challenged to make sense of an overabundance of information when managing individual patients.
Sampled‐data consensus of nonlinear multiagent systems subject to cyber attacks
Authors: Zhang Wenbing , Wang Zidong , Liu Yurong , Ding Derui , Alsaadi Fuad E.
Published: June 2017

This paper is concerned with the sampled‐data consensus problem for a class of nonlinear multiagent systems subject to cyber attacks. The considered attacks are assumed to be recoverable, which destroy the connectivity of the network topology with directed spanning tree. In light of the designed sampled‐data control protocol, a more general switched system is proposed to model both the cyber attacks and the sampled‐data mechanism within a unified framework. Then, by using the contradiction methods, the solution of a class of differential equations is provided to deal with the technical challenge resulting from the switching and sampling issues. Furthermore, in terms of such a solution combined with the constructed piecewise Lyapunov function, sufficient conditions are derived under which the nonlinear multiagent systems subject to attacks achieve the consensus exponentially. The relationship between the attack frequency and the sampling period is also revealed through the obtained conditions. Finally, simulations are given to show the effectiveness of the proposed results.
Influence of polypropylene fibers on the flexural behavior of reinforced concrete slabs with different opening shapes and sizes
Authors: Al‐Rousan Rajai
Published: June 2017

The effect of polypropylene fibers (PF) on the flexural behavior of reinforced concrete one‐way slabs with opening was investigated in this paper. The evaluated parameters included four different PF volume percentages (0, 0.3, 0.6, and 0.9%), with and without opening, two opening shapes (square and circular), and three opening sizes (100, 150, and 200 mm). Three groups of tested slabs were casted: without opening, with square opening, and circular opening, resulting in a total of 28 slabs. The behavior of each slab was evaluated in terms of the cracking load, ultimate capacity, initial and yielding stiffness, deflection ductility, and energy ductility. In addition, the steel and concrete strains, crack opening, and mode of failure were measured and monitored. The minimum design load capacities were calculated theoretically based on the sectional analysis and compared with the tested ones. The results showed that the use of PF at percentages greater than 0.6% significantly enhanced the performance parameters of the slabs with small opening size (2% opening ratio) and provided acceptable enhancement for slabs with large opening size (8% opening ratio). Therefore, the PF can be optimized to substitute the conventional steel reinforcement of slabs with small openings, especially circular openings.
The fragment molecular orbital method: theoretical development, implementation in GAMESS, and applications
Authors: Fedorov Dmitri G.
Published: June 2017

The physical picture of the fragment molecular orbital (FMO) method is described on the basis of a many‐body expansion with terms describing the polarization of isolated fragments, charge transfer (CT), and exchange‐repulsion (EX) between them. Aspects of fragmentation are discussed in detail and FMO development in GAMESS‐US is summarized. Recent progress in method development and applications is reviewed, with a focus on studies of protein–ligand binding, excited states, and spectra of large molecular systems. WIREs Comput Mol Sci 2017, 7:e1322. doi: 10.1002/wcms.1322

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics

Electronic Structure Theory > Ab Initio Electronic Structure Methods
Synthesis and Surface Properties of Novel Carboxylic Ester‐Containing Imidazolium‐Based Zwitterionic Surfactants: Monoalkyl 2‐(3‐Methylimidazolium‐1‐yl) Succinate Inner Salts
Authors: Chen Xuewei , Xin Yujuan , Yu Fangcai , Lan Zhili
Published: June 2017

A series of carboxylic ester‐containing imidazolium‐based zwitterionic surfactants, namely, monoalkyl 2‐(3‐methylimidazolium‐1‐yl) succinate inner salts (CnMimSU, n = 8, 10, 12 and 14), have been synthesized. Their structures were confirmed by 1H NMR, 13C NMR and FTIR. The typical physicochemical properties parameters such as isoelectric point, critical micelle concentration (CMC), surface tension at CMC (γCMC), surface pressure at CMC (ΠCMC), adsorption efficiency (pC20), the maximum surface excess (Γm), the minimum molecular cross‐sectional area (Amin) and the value of CMC/C20 were determined. The effect of the long‐chain length on the important physicochemical properties of CnMimSU was studied. It is found that the surface activity of CnMimSU is enhanced with the long‐chain length increases.
How to Ensure the Survival of the Monetary Union
Authors: Štefanec Ivan
Published: June 2017

At present the biggest threat to the monetary union is posed by the anti-European political parties. These parties call for their countries to leave the union. They are thriving especially in countries with slower economic growth and high unemployment rates. The best remedy against them is to increase economic growth and thus reduce the unemployment rate in their home countries. The measures taken to achieve this need to be systematic, rather than merely temporary patches. In peripheral and semi-peripheral economies, undercapitalised banks and the lower competitiveness of domestic producers are slowing down growth. The correct measures to address these problems include banning dividend payouts by undercapitalised banks and creating minimum standards for competitiveness.
The Use of Prayer to Manage Anger: Do Characteristics of the Emotional Experience Matter?
Authors: Sharp Shane , Carr Deborah
Published: June 2017

Research has established that individuals use prayer to manage negative emotions, yet little is known about how the characteristics of individuals’ emotional experiences—such as how long the emotions last and the source of emotions—influence the use of this emotion management strategy. Using data from the 1996 General Social Survey emotion module (N = 1114), we evaluate the extent to which the use of prayer to manage anger is associated with: the intensity, source, and duration of negative emotions experienced; reflection on the negative emotion-inducing incident; and perceived appropriateness of emotional reaction. Estimated logistic regression models show that characteristics of emotional experiences (except perceived appropriateness) are significantly associated with the use of prayer to manage anger. The analyses reveal that the appropriateness of using prayer to manage negative emotions varies based on specific aspects of the emotional experience, carrying implications for interventions such as pastoral counseling or anger management programs.