bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nonlinear Optical Properties of the Hula Hoop [n]‐Cycloparaphenylenes and Their Halo Derivatives at Nd:YAG Laser Frequency
Authors: Seal Prasenjit 
Published: September 2017

AbstractThe present study aims to establish the role of halogen substituents in tuning the nonlinear optical (NLO) properties of cycloparaphenylenes. We employed time dependent density functional theory as our prime investigating tool to estimate the frequency dependent components of first order hyperpolarizability tensors of these systems at neodymium‐doped yttrium aluminium garnet (Nd:YAG) laser frequency. Our results indicate that pristine cycloparaphenylenes have high nonlinear optical properties which corroborates well with reported experimental findings and one can increase this nonlinearity by adding halogen to these species and tuning them as well. This tuning is of great significance as this will allow us to design and synthesize new compounds which have the strong potential to act as NLO materials. Our results also show functional dependence for the NLO tensor components while calculating the NLO properties for molecular systems. The basis set and the solvent effects, however, is not appreciable for the cycloparaphenylenes.
Improving a Redox Flow Battery Working under Realistic Conditions by Using of Graphene based Nanofluids
Authors: Lobato Justo , Mena Esperanza , Millán María 
Published: September 2017

AbstractThis work reports, for the first time, the behavior of a Redox Flow Battery using nanoparticles based on graphene in the vanadium based electrolytes to act as nanofluids and working under a solar profile radiation (realistic conditions) for renewable energy storage. It has been demonstrated that the use of graphene based nanofluids improves the performance of this energy storage system and enhances the durability of the redox flow battery.
Synthesis and Antitumoral Lung Carcinoma A549 and Antioxidant Activity Assays Of New Chiral β‐Aryl‐Chalcogenium Azide Compounds
Authors: Tabarelli Greice , Dornelles Luciano , Iglesias Bernardo A. , Gonçalves Débora Farina , Terra Stefanello Sílvio , Soares Félix A. A. , Piccoli Bruna Candia , D'Avila da Silva Fernanda , da Rocha João B. T. , Schultze Eduarda , Bonemann Bender Camila , Collares Tiago , Kömmling Seixas Fabiana , Peterle Marcos M. , Braga Antônio L. , Rodrigues Oscar E. D. 
Published: September 2017

AbstractThe synthesis of chiral azido organochalcogenium compounds prepared from inexpensive and commerciallyavailable α‐amino alcohols through diazo transfer reaction are disclosed. The products were obtained in good yields in a modulate synthetic route, affording an efficient methodology for preparing new chiral β‐aryl‐chalcogenium azide compounds. These compounds were evaluated for in vitro antitumoral lung carcinoma A549 as well as electrochemical and antioxidant assays. They presented prominent activities of apoptosis and cell cycle arrest induction as well as antioxidant properties. Additionally, the toxicities in vivo for the most effective compounds were evaluated and no overt sign of toxicity was observed.
Immobilizing Multifunctional Fe2O3‐SnO2 Nanoparticles to Carbon Nanospheres: An Extremely Active and Selective Catalyst for Hydrogen Transfer Reaction
Authors: Qi Li , Li Yunong , Liu Lei , Zhou Junjie , Ai Yongjian , Tang Zhike , Wang Jingting , Bao Hongjie , Zhang Cheng , Liang Qionglin , Sun Hongbin , Niu Dun 
Published: September 2017

AbstractIn this paper, we have developed a new branch of multifunctional iron tin oxide composite as an efficient catalyst for the reduction of the nitroarenes. The iron‐tin bimetallic oxide nanoparticles anchored on the carrier of carbon nanospheres synthesized by hydrothermal carbonization (HTC) were the active sites. And in the presence of the multi‐component catalyst C@Fe2O3‐SnO2, the nitroaromatics were quantitatively converted into aromatic amines with the hydrogen source of hydrazine hydrate. The synergy interaction between the two kinds of metallic oxides provided a certain enhancement for the catalytic activity of iron based catalyst. Moreover, these nanocatalysts could be collected through magnetic separation, and recycled for 10 times without any loss of catalytic activity. These results showed that the catalyst system possessed the superiority of wide application scope, safety, high efficiency and good chemoselectivity.
Discovery of Novel and Selective DNA Methyltransferase 1 Inhibitors by Pharmacophore and Docking‐Based Virtual Screening
Authors: Hassanzadeh Malihe , Kasymov Rustem , Mahernia Shabnam , Adib Mehdi , Emperle Max , Dukatz Michael , Bashtrykov Pavel , Jeltsch Albert , Amanlou Massoud 
Published: September 2017

AbstractAbnormal DNA methylation has key roles in the development and progression of diseases including cancer. Mechanism based DNA methyltransferase (DNMT) inhibitors (DNMTi) which inhibit all DNMTs, like 5‐azacytidine and decitabine, are in clinical use for the treatment of acute myeloid leukemia and myelodysplastic syndrome. However, selective inhibitors for specific DNMTs may improve therapy and would be very useful in basic research. Targeting the binding pocket of DNMT1 for the flipped target base, we employed pharmacophore modeling based on known nucleoside‐derived DNMTi followed by virtual screening of 500 compounds and docking studies for selection of potential DNMT1 inhibitors. DNMT inhibition assays with selected compounds led to the discovery of novel small molecule scaffolds with a high DNMT1 inhibitory potency. Compound 4b selectively inhibits DNMT1 with Ki in the low micromolar range while inhibition of DNMT3 enzymes is at least 50‐fold weaker. Analysis of the inhibitory mechanism revealed non‐competitive inhibition with the DNA and mixed with S‐adenosyl‐L‐methionine in good agreement with the mode of action predicted from virtual screening.
The Role of Weak Interactions in Supramolecular Compounds: A Synthetic and Theoretical Study of Novel Elongated Cavitands
Authors: Kégl Tímea , Csekő György , Mikle Gábor , Takátsy Anikó , Kollár László , Kégl Tamás 
Published: September 2017

AbstractA new resorcinol‐based tetraazidocavitand (2) has been prepared via substitution reaction started from the corresponding tetrabromocavitand (1). This tetraazidocavitand was used as a starting material for azide‐alkyne cycloaddition with different alkynes and this way four novel deepened cavitands have been synthesized under mild conditions. Molecular dynamics, semiempirical PM6 and DFT PBEPBE/6‐31G(d,p) studies have been carried out for these new triazole ring containing structures to reveal the exact geometry in solution, furthermore theoretical NMR chemical shift calculations were completed at B3LYP−D3/6‐31G(d,p) GIAO level in order to compare with the experimental NMR data. QTAIM analysis at B3LYP−D3/def2‐TZVP level was performed and NCI isosurfaces were generated to reveal the potential intramolecular weak interactions between the cavitand branches.
Living Donor Liver Transplantation in South Asia: Single Center Experience on Intermediate‐Term Outcomes
Authors: Dar Faisal S. , Bhatti Abu Bakar H. , Qureshi Ammal I. , Khan Nusrat Y. , Eswani Zahaan , Zia Haseeb H. , Khan Eitzaz U. , Khan Nasir A. , Rana Atif , Shah Najmul H. , Salih Mohammad , Nazer Rashid 
Published: September 2017

AbstractBackgroundThere is paucity of data on intermediate‐term post liver transplant outcomes from South Asia. The objective of this study was to determine survival outcomes in patients who underwent living donor liver transplantation (LDLT) in a busy liver transplant center in Pakistan.MethodsThis study was a review of patients who underwent LDLT between 2012 and 2016. A total of 321 patients were included in this study. Early (within 90 days) and late (>90 days) morbidity and mortality was assessed. Estimated 1‐ and 4‐year survival was determined.ResultsMedian age was 48 (18–73) years. Male to female ratio was 4.5:1. Out of total 346 complications, 184 (57.3%) patients developed 276 (79.7%) complications in early post‐transplant period, whereas there were 70 (21.3%) late complications. Most common early complication was pleural effusion in 46 (16.6%) patients. Biliary complications were the most common late complication and were seen in 31/70 (44.2%) patients. Overall 21.4% patients had a biliary complication. The 3‐month mortality was 14%. The estimated 1‐ and 4‐year OS for a MELD cutoff of 30 was 84.5 versus 72 and 80 versus 57% (P = 0.01). There was no donor mortality.ConclusionAcceptable intermediate‐term post‐transplant outcomes were achieved with LDLT. There is a need to improve outcomes in high‐MELD patients.
Variations in aggression and activity levels amongst squirrels inhabiting low and high density areas
Authors: Haigh Amy , O'Riordan Ruth , Butler Fidelma 
Published: September 2017

AbstractVariation in an individual animal's behavioural traits has been observed in a wide range of species and is believed to have important fitness consequences. As part of a larger study, it was observed that squirrels occurred at different densities on a 315 ha island, and this subsequently led to variations in faecal cortisol metabolite levels. This study aimed to examine whether living at different densities would also lead to variations in activity and aggression levels and in their survival probability, breeding and body condition. In order to examine variations in activity and aggression, behavioural tests (open field test, mirror image stimulation, breath rates and struggle rate tests) were conducted on 32 individuals (15♀, 17♂), a total of 69 times. Activity in the wild was investigated through radio tracking. There was a significant correlation between the time a squirrel was active and in their aggressive behaviour during the behavioural tests, with more aggressive individuals also being more active. Squirrels in the low density area spent a greater proportion of time active and engaged in aggressive behaviour in the open field test but also moved further in the wild and had a lower breath rate and higher struggle rates. Squirrels in the high density area were the least aggressive, had a smaller home range and higher breath and lower struggle rates. However, this was found to have no effect on survival probability, breeding or body condition. These variations may be the result of sampling dispersing squirrels.
Sustainable Oxidative Cleavage of Vegetable Oils into Diacids by Organo‐Modified Molybdenum Oxide Heterogeneous Catalysts
Authors: Ello Aimé Serge , Enferadi‐kerenkan Amir , Trokourey Albert , Do Trong‐On 
Published: September 2017

AbstractExploiting vegetable oils to produce industrially valuable diacids via an eco‐friendly process requires an efficient and recyclable catalyst. In this work, a novel catalytic system based on organo‐modified molybdenum trioxide was synthesized by a green hydrothermal method in one simple step, using Mo powder as precursor, hydrogen peroxide, and amphiphilic surfactants cetyltrimethylammonium bromide (CTAB) and tetramethylammonium bromide (TMAB) as capping agents. The synthesized materials were first characterized by different techniques including XRD, SEM, TGA, and FT‐IR. Interestingly, various morphologies were obtained depending on the nature of the surfactants and synthetic conditions. The synthesized catalysts were employed in oxidative cleavage of oleic acid, the most abundant unsaturated fatty acid, to produce azelaic and pelargonic acids with a benign oxidant, H2O2. Excellent catalytic activities resulting in full conversion of initial oleic acid were obtained, particularly for CTAB‐capped molybdenum oxide (CTAB/Mo molar ratio of 1:3) that gave 83 and 68% yields of production of azelaic and pelargonic acids, respectively. These are the highest yields that have been obtained for this reaction by heterogeneous catalysts up to now. Moreover, the CTAB‐capped catalyst could be conveniently separated from the reaction mixture by simple centrifugation and reused without significant loss of activity up to at least four cycles.
Impaired self-agency inferences in schizophrenia: The role of cognitive capacity and causal reasoning style
Authors: Prikken M. , van der Weiden A. , Kahn R.S. , Aarts H. , van Haren N.E.M. 
Published: September 2017

AbstractBackgroundThe sense of self-agency, i.e., experiencing oneself as the cause of one's own actions, is impaired in patients with schizophrenia. Normally, inferences of self-agency are enhanced when actual outcomes match with pre-activated outcome information, where this pre-activation can result from explicitly set goals (i.e., goal-based route) or implicitly primed outcome information (i.e., prime-based route). Previous research suggests that patients show specific impairments in the prime-based route, implicating that they do not rely on matches between implicitly available outcome information and actual action-outcomes when inferring self-agency. The question remains: Why? Here, we examine whether neurocognitive functioning and self-serving bias (SSB) may explain abnormalities in patients’ agency inferences.MethodsThirty-six patients and 36 healthy controls performed a commonly used agency inference task to measure goal- and prime-based self-agency inferences. Neurocognitive functioning was assessed with the Brief Assessment of Cognition in Schizophrenia (BACS) and the SSB was assessed with the Internal Personal and Situational Attributions Questionnaire.ResultsResults showed a substantial smaller effect of primed outcome information on agency experiences in patients compared with healthy controls. Whereas patients and controls differed on BACS and marginally on SSB scores, these differences were not related to patients’ impairments in prime-based agency inferences.ConclusionsPatients showed impairments in prime-based agency inferences, thereby replicating previous studies. This finding could not be explained by cognitive dysfunction or SSB. Results are discussed in the context of the recent surge to understand and examine deficits in agency experiences in schizophrenia.
MiR‐194 is involved in morphogenesis of spiral ganglion neurons in inner ear by rearranging actin cytoskeleton via targeting RhoB
Authors: Du Jintao , Zhang Xuemei , Cao Hui , Jiang Di , Wang Xianren , Zhou Wei , Chen Kaitian , Zhou Jiao , Jiang Hongyan , Ba Luo 
Published: September 2017

AbstractMany microRNAs participate in the development, differentiation and function preservation of the embryonic and adult inner ear, but many details still need to be elucidated regarding the numerous microRNAs in the inner ear. Based on previous investigations on the microRNA profile in the inner ear, we confirmed that several microRNAs are expressed in the inner ear, and we detected the spatial expression of these microRNAs in the neonatal mouse inner ear. Then we focused on miR‐194 for its specific expression with a dynamic spatiotemporal pattern during inner ear development. Overexpression of miR‐194 in cultured spiral ganglion cells significantly affected the dendrites of differentiated neurons, with more branching and obviously dispersed nerve fibres. Furthermore, the cytoskeleton of cultured cells was markedly affected, as disordered actin filaments resulting from miR‐194 overexpression and enhanced filaments resulting from miR‐194 knockdown were observed. Together with the bioinformatic methods, the RT‐qPCR and western blot results showed that RhoB is a candidate target of miR‐194 in the morphogenesis of spiral ganglion neurons. Additionally, the double luciferase reporter system was used to identify RhoB as a novel target of miR‐194. Finally, the inhibition of RhoB activation by Clostridium difficile toxin B disturbed the organization of the actin filament, similar to the effects of miR‐194 overexpression. In summary, we investigated microRNA expression in the mouse inner ear, and demonstrated that miR‐194 is dynamically expressed during inner ear development; importantly, we found that miR‐194 affects neuron morphogenesis positively through Rho B‐mediated F‐actin rearrangement.
Spinal Implants can be Retained in Patients with Deep Spine Infection: A Cohort Study
Authors: Hey Hwee W.D. , Ng Li W.N. , Kumar Nishant , Lau Tze-Chun E. , Joseph Thambiah , Naresh Kumar , Leok-Lim Lau , Liu Ka-Po G. , Anupama Vasudevan , Dale Fisher , Hee-Kit Wong , Tambyah Paul A. 
Published: September 2017

Background/Purpose It is unclear whether implant removal is necessary when deep spine infection of spinal instrumentation occurs. This study compares mortality, relapse, and reoperation rates between such patients with and without removal of spine implants. Methods A total of 20 patients were retrospectively reviewed. Baseline characteristics of the implant removal and nonremoval groups were compared. Outcome measures between groups were compared using multivariable logistic regression and predictors of each outcome identified. Results There were no significant differences in mortality, relapse, or reoperation rates between groups. Multiple vertebral level involvement was common (85%), and the L4 (30%) and L5 (35%) levels were most commonly involved. The majority of patients had osteomyelitis/spondylodiscitis (50%) and Staphylococcus aureus infections (60%). Thoracic spine infection was associated with relapse (odds ratio = 1.26) and reoperation (odds ratio = 1.101). Conclusion Implant removal is not always necessary in cases of deep spine infection as retention of implants is not associated with higher mortality, relapse, or reoperation rates.
A Systematic Review of Exercise Systematic Reviews in the Cancer Literature (2005‐2017)
Authors: Stout Nicole L. , Baima Jennifer , Swisher Anne K. , Winters‐Stone Kerri M. , Welsh Judith 
Published: September 2017

AbstractBackgroundEvidence supports the benefits of exercise for patients with cancer; however, specific guidance for clinical decision making regarding exercise timing, frequency, duration, and intensity is lacking. Efforts are needed to optimize clinical recommendations for exercise in the cancer population.ObjectivesTo aggregate information regarding the benefit of exercise through a systematic review of existing systematic reviews in the cancer exercise literature.Data SourcesPubMed, CINAHL Plus, Scopus, Web of Science, and EMBASE.Study Eligibility CriteriaSystematic reviews and meta‐analyses of the impact of movement‐based exercise on the adult cancer population.MethodsTwo author teams reviewed 302 abstracts for inclusion with 93 selected for full‐text review. A total of 53 studies were analyzed. A Measurement Tool to Assess Systematic Reviews (AMSTAR) was used as a quality measure of the reviews. Information was extracted using the PICO format (ie, participants, intervention, comparison, outcomes). Descriptive findings are reported.ResultsMean AMSTAR score = 7.66/11 (±2.04) suggests moderate quality of the systematic reviews. Exercise is beneficial before, during, and after cancer treatment, across all cancer types, and for a variety of cancer‐related impairments. Moderate‐to‐vigorous exercise is the best level of exercise intensity to improve physical function and mitigate cancer‐related impairments. Therapeutic exercises are beneficial to manage treatment side effects, may enhance tolerance to cancer treatments, and improve functional outcomes. Supervised exercise yielded superior benefits versus unsupervised. Serious adverse events were not common.LimitationsMovement‐based exercise intervention outcomes are reported. No analysis of pooled effects was calculated across reviews due to significant heterogeneity within the systematic reviews. Findings do not consider exercise in advanced cancers or pediatric populations.ConclusionsExercise promotes significant improvements in clinical, functional, and in some populations, survival outcomes and can be recommended regardless of the type of cancer. Although generally safe, patients should be screened and appropriate precautions taken. Efforts to strengthen uniformity in clinical trial reporting, develop clinical practice guidelines, and integrate exercise and rehabilitation services into the cancer delivery system are needed.
Episodic deposition of Illinois Valley Peoria silt in association with Lake Michigan Lobe fluctuations during the last glacial maximum
Authors: Nash Thomas A. , Conroy Jessica L. , Grimley David A. , Guenthner William R. , Curry Ben Brandon 
Published: September 2017

AbstractThe chronology and cause of millennial depositional oscillations within last glacial loess of the Central Lowlands of the United States are uncertain. Here, we present a new age model that indicates the Peoria Silt along the Illinois River Valley accumulated episodically from ~28,500 to 16,000 cal yr BP, as the Lake Michigan Lobe margin fluctuated within northeastern Illinois. The age model indicates accelerated loess deposition coincident with regional glacial advances during the local last glacial maximum. A weakly developed paleosol, the Jules Geosol, represents a period of significantly slower deposition, from 23,700 to 22,000 cal yr BP. A gastropod assemblage-based reconstruction of mean July temperature shows temperatures 6–10°C cooler than modern during Peoria Silt deposition. Stable oxygen and carbon isotope values (δ18O and δ13C) of gastropod carbonate do not vary significantly across the pedostratigraphic boundary of the Jules Geosol, suggesting slower loess accumulation was a result of reduced glacial sediment supply rather than direct climatic factors. However, a decrease in δ18O values occurred between 26,000 and 24,000 cal yr BP, synchronous with the Lake Michigan Lobe’s southernmost advance. This δ18O decrease suggests a coupling of regional summer hydroclimate and ice lobe position during the late glacial period.
Molecular characterization and distribution of Plasmodium matutinum, a common avian malaria parasite
Authors: VALKIŪNAS GEDIMINAS , ILGŪNAS MIKAS , BUKAUSKAITĖ DOVILĖ , PALINAUSKAS VAIDAS , BERNOTIENĖ RASA , IEZHOVA TATJANA A. 
Published: September 2017

SUMMARYSpecies of Plasmodium (Plasmodiidae, Haemosporida) are widespread and cause malaria, which can be severe in avian hosts. Molecular markers are essential to detect and identify parasites, but still absent for many avian malaria and related haemosporidian species. Here, we provide first molecular characterization of Plasmodium matutinum, a common agent of avian malaria. This parasite was isolated from a naturally infected thrush nightingale Luscinia luscinia (Muscicapidae). Fragments of mitochondrial, apicoplast and nuclear genomes were obtained. Domestic canaries Serinus canaria were susceptible after inoculation of infected blood, and the long-lasting light parasitemia developed in two exposed birds. Clinical signs of illness were not reported. Illustrations of blood stages of P. matutinum (pLINN1) are given, and phylogenetic analysis identified the closely related avian Plasmodium species. The phylogeny based on partial cytochrome b (cyt b) sequences suggests that this parasite is most closely related to Plasmodium tejerai (cyt b lineage pSPMAG01), a common malaria parasite of American birds. Both these parasites belong to subgenus Haemamoeba, and their blood stages are similar morphologically, particularly due to marked vacuolization of the cytoplasm in growing erythrocytic meronts. Molecular data show that transmission of P. matutinum (pLINN1) occurs broadly in the Holarctic, and the parasite likely is of cosmopolitan distribution. Passeriform birds and Culex mosquitoes are common hosts. This study provides first molecular markers for detection of P. matutinum.