bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermodynamical transcription of the density functional theory with constant temperature
Authors: Nagy Ágnes 
Published: April 2017

AbstractThe thermodynamical interpretation of the density functional theory for an electronic ground state is revisited. Ghosh et al. invented the thermodynamical transcription of the ground‐state density functional theory into a local thermodynamics. They introduced the idea of the local temperature that varies from point to point. The local temperature is defined via the kinetic energy density. The kinetic energy density is not uniquely defined, usually the everywhere positive gradient form is applied. Now we prove that it is possible selecting the kinetic energy density so that the local temperature be a constant for the whole system under consideration. The kinetic energy density is proportional to the electron density and the temperature is proportional to the kinetic energy. Furthermore, the kinetic energy density corresponding to the constant temperature, maximizes the information entropy.
New cascarosides from Rhamnus purshiana and fragmentation studies of the class by ion trap mass spectrometry
Authors: Demarque Daniel P. , Pinho Danielle R. , Callejon Daniel R. , de Oliveira Gibson G. , Silva Denise B. , Carollo Carlos A. , Lopes Norberto P. 
Published: April 2017

RationaleAnthrone and oxanthrone are important anthraquinone derivatives present in medicinal plants which are used in therapeutics as laxatives. Some of these plants need to be stored at least one year before they can be used in order to oxidize anthrones into oxanthrones, so to avoid severe diarrhea and dehydration. Therefore, this work aimed to characterize fragmentation reactions between these anthraquinones to provide an easy way to differentiate between the two classes, since it is necessary and important to discriminate and identify these derivatives in laxative plants and phytotherapic drugs.MethodsAnthrone (cascarosides A–D) and oxanthrone (10‐hydroxycascaroside A and B) derivatives were isolated and identified by NMR (1H, 13C, DEPT, NOESY) and used for fragmentation study by direct infusion on an electrospray ionization (ESI) ion trap mass spectrometer (AmazonSL, Bruker) in positive and negative mode.ResultsThe additional hydroxyl at C‐10 in oxanthrones allowed McLafferty‐type rearrangements to form the quinone group in positive mode, while in negative mode the second sugar loss infringed the odd‐electron rule and formed a radical fragment. No differences in fragmentation reactions were found between diastereoisomeric pairs, although the additional oxygen at C‐10 of oxanthrones allowed a different fragmentation pattern.ConclusionsThe proposed fragmentation patterns can be used to differentiate anthrones from oxanthrones in both ion modes. In addition, they can be applied to differentiate these compounds in anthraquinone‐rich plants and phytotherapic drugs. Finally, herein, the strategy applied allowed us to identify new natural products. Copyright © 2017 John Wiley & Sons, Ltd.
Mass spectrometric characterization of the selective androgen receptor modulator (SARM) YK‐11 for doping control purposes
Authors: Thevis Mario , Piper Thomas , Dib Josef , Lagojda Andreas , Kühne Dirk , Packschies Lars , Geyer Hans , Schänzer Wilhelm 
Published: April 2017

RationaleSelective androgen receptor modulators (SARMs) represent an emerging class of therapeutics targeting inter alia conditions referred to as cachexia and sarcopenia. Due to their anabolic properties, the use of SARMs is prohibited in sports as regulated by the World Anti‐Doping Agency (WADA), and doping control laboratories test for these anabolic agents in blood and urine. In order to accomplish and maintain comprehensive test methods, the characterization of new drug candidates is critical for efficient sports drug testing. Hence, in the present study the mass spectrometric properties of the SARM YK‐11 were investigated.MethodsYK‐11 was synthesized according to literature data and three different stable‐isotope‐labeled analogs were prepared to support the mass spectrometric studies. Using high‐resolution/high‐accuracy mass spectrometry following electrospray ionization as well as electron ionization, the dissociation pathways of YK‐11 were investigated, and characteristic features of its (product ion) mass spectra were elucidated. These studies were flanked by density functional theory (DFT) computation providing information on proton affinities of selected functional groups of the analyte.Results and ConclusionsThe steroidal SARM YK‐11 was found to readily protonate under ESI conditions followed by substantial in‐source dissociation processes eliminating methanol, acetic acid methyl ester, and/or ketene. DFT computation yielded energetically favored structures of the protonated species resulting from the aforementioned elimination processes particularly following protonation of the steroidal D‐ring substituent. Underlying dissociation pathways were suggested, supported by stable‐isotope labeling of the analyte, and diagnostic product ions for the steroidal nucleus and the D‐ring substituent were identified. Further, trimethylsilylated YK‐11 and its deuterated analogs were subjected to electron ionization high‐resolution/high‐accuracy mass spectrometry, complementing the dataset characterizing this new SARM. The obtained fragment ions resulted primarily from A/B‐ and C/D‐ring structures of the steroidal nucleus, thus supporting future studies e.g. concerning metabolic pathways of the substance. Copyright © 2017 John Wiley & Sons, Ltd.
Geomorphic diversity as a river management tool and its application to the Ganga River, India
Authors: Sinha R. , Mohanta H. , Jain V. , Tandon S. K. 
Published: April 2017

AbstractUnderstanding of geomorphic processes and the determination of geomorphic diversity in catchments are prerequisites for the sustainable rehabilitation of river systems and for reach‐scale assessment of river health. The Ganga River system in India is a large, complex system consisting of several long tributaries, some >1,000 km, originating from 2 distinct hinterlands—the Himalaya to the north and the cratons to the south. Traversing through a diverse climatic regime across the Plain and through precipitation zones ranging from 600 mm/year near Delhi to 1,200 mm/year in the eastern plains, the Ganga River system has formed very diverse landform assemblages in 3 major geomorphic domains. We have recognized 10 different river classes for the trunk river from Gangotri (source) to Farakka (upstream of its confluence with the Brahmaputra) based on (a) landscape setting, (b) channel and active floodplain properties, and (c) channel planform parameters. The mountainous stretch is characterized by steep valleys and bedrock channels and is dominated by large‐scale sediment production and transport through hill slope processes. The alluvial part of the river is characterized by 8 different river classes of varying reach lengths (60–300 km) many of which show sharp transitions in landscape setting. We have highlighted the application of this approach for the assessment of habitat suitability, environmental flows, and flood risk all of which have been significantly modified during the last few decades due to large‐scale anthropogenic disturbances. We suggest that the diversity embedded in this geomorphic framework can be useful for developing a sustainable river management programme to “work with” the contemporary character and behaviour of rivers.
A Qualitative Look into Israeli Genetic Experts’ Insights Regarding Culturally Competent Genetic Counseling and Recommendations for Its Enhancement
Authors: Siani Merav , Ben‐Zvi Assaraf Orit 
Published: April 2017

AbstractThe aim of this study is to describe the perceptions and recommendations of Israeli genetic experts in regard to culturally competent genetic counseling. Qualitative data was collected from 15 semi‐structured interviews with Israeli genetics experts. Recurring themes were identified using “thematic analysis” and coded by means of “grounded theory”. Our analysis divides data from the genetic experts' interviews into four main themes: Why is culturally competent genetic counseling important? (Describing its contribution to individuals and to society); who is the recipient of culturally competent genetic counseling? (Differentiating the needs of counselees based on genetic education, cultural/religious characteristics and geographic location); what should we include in culturally competent genetic counseling? (Addressing the contents that counseling should convey);how should we perform culturally competent genetic counseling? (Addressing the methods that counseling should employ). In light of the study, we recommend lengthening the genetic counseling session so that counselors will be able to truly gauge all the prior knowledge of the counselees, their religious beliefs, norms, values and attitudes towards genetic testing. We further recommend that students continue to study genetics further into high school. Finally, we suggest adding a preparation session, similar to a prenatal course, to the genetic counseling of lay people so that their genetic knowledge, attitudes and perceptions will be enhanced, leading to more efficient genetic counseling and more informed decisions.
Fat tissue is not a reservoir for radiocesium in wild boars
Authors: Steinhauser Georg , Knecht Christian , Sipos Wolfgang 
Published: April 2017

Abstract
Meat of wild boars is not only known for high 137Cs activity concentrations but also for the remarkable constancy of these levels. Even decades after the Chernobyl accident, the 137Cs levels in wild boar meat in Central Europe have not declined but even partly increased. In the present study, we investigated an unusual hypothesis for this very unusual phenomenon: may the boars’ fat tissue act as a reservoir for radiocesium? We investigated fat and muscle tissues of four wild boars in Western Germany and found that the 137Cs concentrations in fat were in the range of 10–30% of the respective activities in muscle tissue. Hence, the hypothesis was refuted.
Current Concepts in Noninvasive Prenatal Screening (NIPS)
Authors: Leonard Samantha 
Published: April 2017

AbstractNoninvasive prenatal screening (NIPS) represents a significant advance in prenatal screening for trisomy 21 and other conditions. Like any new and rapidly developing technology, it is important for healthcare providers to keep up to date with current and developing issues to help ensure that users of tests such as NIPS are well informed. This review intends to outline and explain some of the main current issues with regards to NIPS and to look ahead to the future, in order to increase understanding and inform debate.
Low, fixed dose defibrotide in management of hepatic veno-occlusive disease post stem cell transplantation
Authors: Bagal Bhausaheb , Chandrasekharan Arun , Chougle Aliya , Khattry Navin 
Published: April 2017

Objective/background:
Hepatic veno-occlusive disease (VOD) is well recognized potentially serious regimen-related toxicity seen after stem cell transplantation. Severe VOD is associated with poor long-term outcomes with very high mortality. Besides supportive care, only defi-brotide has been found to be effective in the management of VOD. The recommended dose of defibrotide is 25 mg/kg/d but there has been no classical dose finding study done for this drug. A higher dose of defibrotide is associated with increased risk of bleeding and this drug is prohibitively expensive. We report our experience of using fixed low dose of defibrotide in patients with VOD.

Methods:
We retrospectively evaluated 511 patients who underwent stem cell transplant at our center from November 2007 and December 2015. All patients received ursodeoxycholic acid as VOD prophylaxis. Modified Seattle criterion was used for diagnosis and severity grading of VOD. Patients developing VOD were initially treated with furosemide and adequate analgesia. Defibrotide was started within 12 to 24 hours of diagnosis of VOD. All adult patients received defibrotide at a fixed dose of 200 mg twice daily while two children were given dose of 100 mg and 50 mg twice daily.

Results:
Nine (1.7%) of our patients developed VOD. Daily dose of defibrotide ranged from 5 mg/kg/d to 20 mg/kg/d till resolution of VOD. All patients had complete resolution of VOD. None of our patients required ventilator support or dialysis. No episodes of bleeding were observed. No dose response relationship was observed between defibrotide dose and time to resolution of VOD.

Conclusion:
Low fixed dose defibrotide initiated early seems to be effective and safe in treatment of VOD. This is relevant in a resource limited setting and warrants prospective evaluation.
Much Ado About Nothing: RDD and the Incumbency Advantage
Authors: Erikson Robert S. , Rader Kelly 
Published: April 2017

An influential paper by Caughey and Sekhon (2011a) suggests that the outcomes of very close US House elections in the postwar era may not be as-if random, thus calling into question this application of regression discontinuity for causal inference. We show that while incumbent party candidates are more likely to win close House elections, those who win are no different on observable characteristics from those who lose. Further, all differences in observable characteristics between barely winning Democrats and barely winning Republicans vanish conditional on which party is the incumbent. Any source of a special incumbent party advantage in close elections must be due to variables that cannot be observed. This finding supports the conclusion of Eggers et al. (2015) that Caughey and Sekhon’s discovery of lopsided wins by incumbents in close races is a mere statistical fluke.
Real-Life Impact of Executive Function Impairments in Adults Who Were Born Very Preterm
Authors: Kroll Jasmin , Karolis Vyacheslav , Brittain Philip J. , Tseng Chieh-En Jane , Froudist-Walsh Sean , Murray Robin M. , Nosarti Chiara 
Published: April 2017

AbstractObjectives: Children and adolescents who were born very preterm (≤32 weeks’ gestation) are vulnerable to experiencing cognitive problems, including in executive function. However, it remains to be established whether cognitive deficits are evident in adulthood and whether these exert a significant effect on an individual’s real-lifeachievement. Methods: Using a cross-sectional design, we tested a range of neurocognitive abilities, with a focus on executive function, in a sample of 122 very preterm individuals and 89 term-born controls born between 1979 and 1984. Associations between executive function and a range of achievement measures, indicative of a successful transition to adulthood, were examined. Results: Very preterm adults performed worse compared to controls on measures of intellectual ability and executive function with moderate to large effect sizes. They also demonstrated significantly lower achievement levels in terms of years spent in education, employment status, and on a measure of functioning in work and social domains. Results of regression analysis indicated a stronger positive association between executive function and real-life achievement in the very preterm group compared to controls. Conclusions: Very preterm born adults demonstrate executive function impairments compared to full-term controls, and these are associated with lower achievement in several real-life domains. (JINS, 2017, 23, 381–389)
Energy drinks available in Ireland: a description of caffeine and sugar content
Authors: Keaver Laura , Gilpin Susannah , Fernandes da Silva Joana Caldeira , Buckley Claire , Foley-Nolan Cliodhna 
Published: April 2017

AbstractObjectiveTo describe the caffeine and sugar content of all energy drinks available on the island of Ireland.DesignTwo retail outlets were selected from each of: multinational, convenience and discount stores in Northern Ireland and the Republic of Ireland, and all available single-serve energy drinks were purchased. The cross-sectional survey was conducted in February 2015 and brand name, price, volume, caffeine and sugar content were recorded for each product. Descriptive analysis was performed.ResultsSeventy-eight products were identified on the island of Ireland (regular, n 59; diet/sugar-free/light, n 19). Caffeine and sugar content was in the range of 14–35 mg and 2·9–15·6 g per 100 ml, respectively. Mean caffeine content of 102·2 mg per serving represents 25·6 % of the maximum intake advised for adults by the European Food Safety Authority. Per serving, mean sugar content of regular energy drinks was 37 g. This exceeds WHO recommendations for maximum daily sugar intake of <5 % of total energy intake (25 g for adults consuming 8368 kJ (2000 kcal) diet). If displaying front-of-pack labelling, fifty-seven of the fifty-nine regular energy drinks would receive a Food Standards Agency ‘red’ colour-coded label for sugar.ConclusionsEnergy drinks are freely available on the island of Ireland and all products surveyed can be defined as highly caffeinated products. This has potential health issues particularly for children and adolescents where safe limits of caffeine have not been determined. Energy drinks surveyed also contained high levels of sugar and could potentially contribute to weight gain and adverse dental health effects.
Courting peace: Judicial review and peace jurisprudence
Authors: SAPIANO JENNA 
Published: April 2017

Abstract:The current debate measuring the trade-offs between democracy and judicial review is unable to analyse the influence of courts in post-conflict states. However, a court with authority over constitutional review is commonplace in new constitutions, including those that have been drafted (or revised) as part of a political settlement. This article suggests that judicial institutions are as important as political institutions in sustaining a political settlement. As this article sets out, the parties to a peace process are required to make numerous compromises to negotiate new (or revised) institutional arrangements. Several cases are considered which illustrate how domestic constitutional courts were asked to mediate between tensions inside the political settlement. In all of the examples, the courts interpreted peace to be the most important constitutional value, or the primary purpose of the constitution. The judiciary played a role in maintaining the constitutional link to the elite pacts of the peace agreement, while acknowledging that the link should not preserve elite pacts permanently or without limit. The article argues, first, that these cases constitute evidence of an emergent global ‘peace jurisprudence’ based on purposive interpretation and a principle of proportionality that protects the foundations of the political settlement, and, second, questions the extent to which international courts are willing or able to adopt this jurisprudence.
Genetic hurdles limit the arms race betweenProchlorococcusand the T7-like podoviruses infecting them
Authors: Schwartz Daniel A , Lindell Debbie 
Published: April 2017

AbstractPhages and hosts coexist in nature with a high degree of population diversity. This is often explained through coevolutionary models, such as the arms race or density-dependent fluctuating selection, which differ in assumptions regarding the emergence of phage mutants that overcome host resistance. Previously, resistance in the abundant marine cyanobacterium, Prochlorococcus, was found to occur frequently. However, little is known about the ability of phages to overcome this resistance. Here we report that, in some cases, T7-like cyanophage mutants emerge to infect resistant Prochlorococcus strains. These resistance-breaking phages retained the ability to infect the wild-type host. However, fitness of the mutant phages differed on the two hosts. Furthermore, in one case, resistance-breaking was accompanied by costs of decreased fitness on the wild-type host and decreased adsorption specificity, relative to the wild-type phage. In two other cases, fitness on the wild-type host increased. Whole-genome sequencing revealed mutations in probable tail-related genes. These were highly diverse in isolates and natural populations of T7-like cyanophages, suggesting that antagonistic coevolution enhances phage genome diversity. Intriguingly, most interactions did not yield resistance-breaking phages. Thus, resistance mutations raise genetic barriers to continuous arms race cycles and are indicative of an inherent asymmetry in coevolutionary capacity, with hosts having the advantage. Nevertheless, phages coexist with hosts, which we propose relies on combined, parallel action of a limited arms race, fluctuating selection and passive host-switching within diverse communities. Together, these processes generate a constantly changing network of interactions, enabling stable coexistence between hosts and phages in nature.
Gold nanoclusters-assisted delivery of NGF siRNA for effective treatment of pancreatic cancer
Authors: Lei Yifeng , Tang Lixue , Xie Yangzhouyun , Xianyu Yunlei , Zhang Lingmin , Wang Peng , Hamada Yoh , Jiang Kai , Zheng Wenfu , Jiang Xingyu 
Published: April 2017

AbstractPancreatic cancer is one of the deadliest human cancers, whose progression is highly dependent on the nervous microenvironment. The suppression of gene expression of nerve growth factor (NGF) may have great potential in pancreatic cancer treatment. Here we show that gold nanocluster-assisted delivery of siRNA of NGF (GNC–siRNA) allows efficient NGF gene silencing and pancreatic cancer treatment. The GNC–siRNA complex increases the stability of siRNA in serum, prolongs the circulation lifetime of siRNA in blood and enhances the cellular uptake and tumour accumulation of siRNA. The GNC–siRNA complex potently downregulates the NGF expression in Panc-1 cells and in pancreatic tumours, and effectively inhibits the tumour progression in three pancreatic tumour models (subcutaneous model, orthotopic model and patient-derived xenograft model) without adverse effects. Our study constitutes a straightforward but effective approach to inhibit pancreatic cancer via NGF knockdown, suggesting a promising therapeutic direction for pancreatic cancer.
KDM3 epigenetically controls tumorigenic potentials of human colorectal cancer stem cells through Wnt/β-catenin signalling
Authors: Li Jiong , Yu Bo , Deng Peng , Cheng Yingduan , Yu Yongxin , Kevork Kareena , Ramadoss Sivakumar , Ding Xiangming , Li Xinmin , Wang Cun-Yu 
Published: April 2017

AbstractHuman colorectal cancer stem cells (CSCs) are tumour initiating cells that can self-renew and are highly tumorigenic and chemoresistant. While genetic mutations associated with human colorectal cancer development are well-known, little is known about how and whether epigenetic factors specifically contribute to the functional properties of human colorectal CSCs. Here we report that the KDM3 family of histone demethylases plays an important role in tumorigenic potential and survival of human colorectal CSCs by epigenetically activating Wnt target gene transcription. The depletion of KDM3 inhibits tumorigenic growth and chemoresistance of human colorectal CSCs. Mechanistically, KDM3 not only directly erases repressive H3K9me2 marks, but also helps to recruit histone methyltransferase MLL1 to promote H3K4 methylation, thereby promoting Wnt target gene transcription. Our results suggest that KDM3 is a critical epigenetic factor in Wnt signalling that orchestrates chromatin changes and transcription in human colorectal CSCs, identifying potential therapeutic targets for effective elimination of CSCs.