bluuebunny/crossref_metadata_2025 huggingface dataset:
Adaptive quantum mechanics/molecular mechanics methods
Authors: Zheng Min , Waller Mark P.
Published: April 2016

Multiscale methods have enjoyed a well‐celebrated place in the computational chemists’ toolbox, while the next generation of so‐called adaptive quantum mechanics/molecular mechanics (QM/MM) methods were being developed on the fringe for the past 20 years. Adaptive QM/MM methods hold the promise of extending the range of applicability, currently at the expense of complexity and computational scaling. There are a number of challenges in the area; firstly, the ability to partition a system on the fly has led to the distance, number, density, and stress‐based approaches. Secondly, methods that smoothen the transition from a QM to an MM region using a single configuration include Hot‐Spot, ONIOM‐XS, and time‐adaptive. Alternatively, more computationally expensive methods that smoothen the transition region based on multiple configurations are the permuted and sorted adaptive permutation, difference‐based adaptive, and size‐consistent multipartitioning methods. There exist three alternative methods that avoid issues of smoothening altogether; they are the so‐called buffered force, ABRUPT, and the flexible inner restraint methods. In this advanced review, an overview on the available methods, a number of applications, and the remaining challenges are discussed. WIREs Comput Mol Sci 2016, 6:369–385. doi: 10.1002/wcms.1255

This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics

Electronic Structure Theory > Combined QM/MM Methods

Molecular and Statistical Mechanics > Molecular Dynamics and Monte-Carlo Methods
Yeast and mould dynamics in Caciofiore della Sibilla cheese coagulated with an aqueous extract of Carlina acanthifolia All.
Authors: Cardinali Federica , Taccari Manuela , Milanović Vesna , Osimani Andrea , Polverigiani Serena , Garofalo Cristiana , Foligni Roberta , Mozzon Massimo , Zitti Silvia , Raffaelli Nadia , Clementi Francesca , Aquilanti Lucia
Published: April 2016

Caciofiore della Sibilla is a speciality ewes' milk cheese traditionally manufactured in a foothill area of the Marche region (Central Italy) with a crude extract of fresh young leaves of Carlina acanthifolia All. subsp. acanthifolia as a coagulating agent. The fungal dynamics and diversity of this speciality cheese were investigated throughout the manufacturing and 20‐day ripening process, using a combined PCR–DGGE approach. The fungal biota of a control ewes' milk cheese, manufactured with the same batch of milk coagulated with a commercial animal rennet, was also monitored by PCR–DGGE, in order to investigate the contribution of the peculiar vegetable coagulant to the fungal diversity and dynamics of the cheese. Based on the overall results collected, the raw milk and the dairy environment represented the main sources of fungal contamination, with a marginal or null contribution of thistle rennet to the fungal diversity and dynamics of Caciofiore della Sibilla cheese. Copyright © 2016 John Wiley & Sons, Ltd.
Structures and Bonding Situation of Iron Complexes of Group‐13 Half‐Sandwich ECp* (E = B to Tl) Based on DFT Calculations
Authors: Nguyen Thi Ai Nhung , Huynh Thi Phuong Loan , Tran Thai Hoa , Pham Van Tat , Duong Tuan Quang , Dang Tan Hiep
Published: April 2016

Quantum chemical calculations at the BP86 level with various basis sets (SVP, TZVPP, and TZ2P+) were carried out for the Fe(CO)4 of group‐13 half‐sandwich ECp* [Fe(CO)4‐ECp*] (Fe4‐E) (E = B to Tl). The chemical bonding of the Fe(CO)4‐ECp* bond was analyzed with charge‐ and energy decomposition methods. The calculated equilibrium structures of complexes Fe4‐E show that the ligands ECp* are bonded in an end‐on way to the fragment Fe(CO)4 in Fe4‐E with E = B to Ga. The compound Fe4‐In has a distorted end‐on ligand InCp*. In contrast, Fe4‐Tl has a side‐on bonded ligand TlCp*. The calculated bond dissociation energies (BDEs) suggest that the bond in the iron group‐13 half‐sandwich complexes Fe4‐E decreases from Fe4‐B to Fe4‐Tl. Natural bond orbital (NBO) analysis of the bonding situation reveals that the Fe(CO)4←ECp* donation in Fe4‐E comes from the σ lone‐pair orbital of ECp*. Bonding analysis indicates that the ligand ECp* in complexes are strong σ donors and the NOCV pairs of the bonding show small π‐back donation from the Fe(CO)4 to the ECp* ligands.
Multi‐temporal ecological analysis of Jeffrey pine beetle outbreak dynamics within the Lake Tahoe Basin
Authors: Egan Joel M. , Sloughter J. McLean , Cardoso Tamre , Trainor Patrick , Wu Ke , Safford Hugh , Fournier Dave
Published: April 2016

From 1991 to 1996, Jeffrey pine beetles (Dendroctonus jeffreyi Hopkins) (JPB) caused tree mortality throughout the Lake Tahoe Basin during a severe drought. Census data were collected annually on 10,721 trees to assess patterns of JPB‐caused mortality. This represents the most extensive tree‐level, spatiotemporal dataset collected to‐date documenting bark beetle activity. Our study was an exploratory assessment of characteristics associated with the probability of successful JPB mass‐attack (PJPB) and group aggregation behavior that occurred throughout various outbreak phases. Numerous characteristics associated with PJPB varied by outbreak phase although population pressure and forest density had positive associations during all phases. During the incipient phase, JPBs caused mortality in individual trees and small groups within toeslope topographic positions and PJPB had a negative relationship with stem diameter. In the epidemic phase, JPB activity occurred in all topographic positions and caused mortality in spatially expanding clusters. PJPB had a curvilinear relationship with tree diameter and a negative relationship with proximity to nearest brood tree. Majority (92–96 %) of mass‐attacked trees were within 30 m of a brood tree during the peak epidemic years. During the post‐epidemic phase, mortality clusters progressively decreased while dispersal distances between mass‐attacked and brood trees increased. Post‐epidemic PJPB had a negative relationship with stem diameter and mortality was concentrated in the mid and upper‐slope topographic positions. Results indicate mortality predictions are reasonable for the epidemic phase but not for incipient and post‐epidemic phases. Ecological factors influencing JPB‐caused tree mortality, clustered mortality patterns, and transitions from environmental to dynamic determinism are discussed.
Análisis de la variación de la eficiencia en la producción de biocombustibles en América Latina
Authors: Morelos Gómez José
Published: April 2016

Este artículo de investigación tiene como objetivo realizar la medición de las variaciones de eficiencia de los países productores de biocombustibles en Latinoamérica. Se utilizó la metodología no paramétrica de análisis envolvente de datos (DEA), que permitió calcular la frontera de eficiencia de Brasil, Colombia, Argentina, Ecuador, México, Paraguay, Perú, Bolivia y Uruguay. La información analizada se obtuvo de la base de datos FAOSTAT a˜no 2010. Los resultados mostraron el liderazgo de Perú y Brasil, con eficiencias igual a 1 en la producción de biodiésel y bioetanol. De los 9 países analizados, 7 presentaron bajos niveles de eficiencia en la producción de biocombustibles y solo uno (Paraguay) mostró tener eficiencia media en la fabricación de bioetanol.
Who Am I? How Compelling Self-storytelling Builds Digital Personal Reputation
Authors: Pera Rebecca , Viglia Giampaolo , Furlan Roberto
Published: April 2016

The work explores whether self-storytelling is a powerful predictor of personal reputation in a collaborative community of the sharing economy realm. By proposing that powerful self-storytelling allows an attractive positioning in respect to potential others, the paper extends the literature of brand storytelling and brand archetypes shifting the perspective to a personal level. This study adopts a qualitative–quantitative approach to investigate the meanings and stories contained in personal profile descriptions and their relation with reputation. Personal descriptions are interpreted as storytelling activities, labels/glosses that allow members to access the services of the community by facilitating personal reputation building. The findings show that powerful storytelling structures have defined phases and are crucial in reputation building when the story evolves in a metaphoric, symbolic lesson. The presence of archetypes, in particular the Sage and the Ruler, also confers reputational power to the stories. The results reveal opportunities for peer-to-peer communities, traditional companies, and social businesses. Marketers should design tools and platforms able to trigger consumers’ desire to express their individuality through personal descriptions and suggest the drivers that affect reputation.
Opening Up the Black Box: Gender and Candidate Selection in a New Era
Authors: Kenny Meryl , Verge Tània
Published: April 2016

Recent global developments, including the feminization of parliaments and the rise of gender quotas, have transformed the ways in which parties and legislatures operate. This introduction to the special issue ‘Candidate Selection: Parties and Legislatures in a New Era’ puts these recent developments in context, making the case for revisiting the ‘secret garden’ of candidate selection in light of this ‘new era’ in politics. It sets out a critical dialogue between party politics and gender politics scholarship and points to the need for more research on how political parties facilitate or block women’s access to political office. Building on the burgeoning research on gender and political recruitment, it outlines how a gendered and institutional approach allows us to retheorize candidate selection processes and opens up new avenues for empirically examining the pathways prior to election. The article then introduces the papers in this special issue and concludes by evaluating the main implications of gendering analyses of candidate selection and party politics more broadly.
The Supply and Demand Model of Candidate Selection: Some Reflections
Authors: Lovenduski Joni
Published: April 2016

This contribution takes a look back at the supply and demand model of selection and recruitment, developed by Joni Lovenduski and Pippa Norris in Political Recruitment: Gender, Race and Class in the British Parliament (1995). The core understanding of this model was that candidate selection was an interactive process in which both selectors and aspirants affected outcomes that were organized in several sets of institutions. The model illuminates power in particular institutions – British political parties – and was designed to examine the various effects of the selection process. This contribution reflects on the model and puts forward ideas and arguments about what might be done differently, taking into account the theoretical and methodological innovations of the succeeding generation of scholars who have used the model. It also identifies remaining challenges for research on candidate selection and suggests that the supply and demand model is sufficiently flexible that it can still travel across national, system and party boundaries.
Partisans without Parties: Party Systems as Partisan Inhibitors?
Authors: Roy Jason , Esselment Anna Lennox
Published: April 2016

In this work we offer results drawn from a dataset of a post-provincial election survey in eight Canadian provinces to assess the impact of party system congruency on partisanship. We postulate that partisanship will be more likely and stronger in provinces that share a similar political party system to the federal level. We extend this preliminary analysis to test the underlying mechanism by examining the impact holding partisan ties at the provincial level has on the likelihood and strength of federal identification, according to party system similarity. Our results show very limited support for the party system congruency factor, raising further questions of its applicability in the Canadian context.
Strongyloidiasis in Latin American immigrants: a pilot study
Authors: Ostera G. , Blum J. , Cornejo C. , Burgula S. , Jeun R. , Bryan P.E. , Mejia R.
Published: April 2016

The United States of America (USA) has the largest international population of any nation in the world. Immigrants from Latin American countries, where intestinal parasites are endemic, comprise more than half of this population. This study aims to determine the prevalence of strongyloidiasis, a potentially deadly parasitic infection, in foreign-born individuals. We conducted a cross-sectional study in Washington, DC, to determine the seroprevalence of Strongyloides stercoralis infection using an NIE-ELISA IgG antibody assay. Multi-parallel quantitative real-time polymerase chain reaction (qPCR) was performed in stool samples of NIE-ELISA-positive patients to investigate possible polyparasitism. The NIE-ELISA assay detected an S. stercoralis prevalence of 4.2% in a group of 119 volunteers. Combining NIE-ELISA and qPCR detected a parasite prevalence of 5.0%. Our results underscore the relevance of systematic testing for gastrointestinal parasites in individuals from endemic regions. It also makes a case for a survey in the USA to identify immigrants' risk for strongyloidiasis and other gastrointestinal parasitic infections.
Anti-tumour necrosis factor therapy is associated with certain subtypes of chronic rhinosinusitis
Authors: Leonard C G , Masih C , McDonald S , Taylor G , Maiden N , Leyden P J
Published: April 2016

Background:

Chronic rhinosinusitis has many risk factors; however, the effect of anti-tumour necrosis factor therapy has not been investigated in depth. Our experience points to a detrimental clinical effect in overall prevalence of chronic rhinosinusitis, despite its benefit in certain subtypes.

Method:

A telephone survey was performed to parallel the findings of the Global Allergy and Asthma European Network chronic rhinosinusitis screening survey. This was itself based on the widely recognised European Position Paper on Rhinosinusitis and Nasal Polyps criteria.

Results:

A total of 120 patients responded to the survey. The prevalence of chronic rhinosinusitis in the anti-tumour necrosis factor therapy population was 20 per cent (95 per cent confidence interval = 12.84–27.16). When compared using a chi-square test, for a two-by-two contingency table, this finding was significant against the prevalence recorded in the normal population.

Conclusion:

This is the first observational study indicating increased prevalence of chronic rhinosinusitis in patients treated with anti-tumour necrosis factor therapy. These clinical findings require investigation in greater depth to clarify the nature of pathologies currently diagnosed and treated as chronic rhinosinusitis.
Precarious Class Formations in the United States and South Africa
Authors: Paret Marcel
Published: April 2016

Recent scholarship highlights the global expansion of precarious layers of the working class. This article examines the growth and collective struggles of such precarious layers in two very different places: California, United States and Gauteng, South Africa. The comparison challenges and extends existing research in two ways. First, it shows that the spread of insecurity is far from uniform, taking different forms in different places. Lack of citizenship is more crucial for workers in California, whereas underemployment is more crucial for workers in Gauteng. Second, it shows that insecure segments of the working class are capable of developing collective agency. This agency may be rooted in identities that extend beyond precarious employment, and will reflect the particular forms of insecurity that are prevalent in the given context. Such diversity is illustrated by examining May Day protests in California and community protests around service delivery in Gauteng.
Capitalism and Slavery and the Civil War
Authors: Oakes James
Published: April 2016

They push in different directions, these two great debates. The first, on the relationship between capitalism and slavery, invites us to consider how closely the two systems were connected, to the point where more and more scholars argue that slavery itself was a form of capitalism. The second, on the origins of the American Civil War, highlights the fundamental difference and growing divergence between the free labor system of the North and the slave society of the South, to the point where some scholars see an irreconcilable conflict between the two. Can these competing tendencies be reconciled? Is it possible to define southern slavery as essentially “capitalist” without losing sight of the crucial distinctions between free and enslaved labor? A number of recent books suggest that scholars have begun to recognize the problem but have not quite figured out how to solve it.
Gesturing Indigenous Futurities Through the Remix
Authors: Recollet Karyn
Published: April 2016

This article explores Vancouver-based multi-media collective Skookum Sound System's Ay I Oh Stomp's (2012) mobilization of “decolonial gesturings” as they create a future imaginary attentive to the past, critiquing the present, and venturing into the beyond. These gestures activate Indigenous futurities through traditional style Kwakwaka'wakw dance and choreographies of sea travel, popping as a “street dance” of holds and releases, and the mobilization of digital polychromatic shifting and looping. I illustrate how the video is a form of radical imagination tantamount to social change, and how it remixes dance, movement and gestures that “jump scale” out of colonial cartographies.
Dee(a)r Spine: Dance, Dramaturgy, and the Repatriation of Indigenous Memory
Authors: Mitchell Sam , Burelle Julie
Published: April 2016

This dialogue between artist and dramaturg documents the creation of Dee(a)r Spine, Sam Mitchell's adaptation of the Yaqui Deer Dance, performed on Kumeyaay territory at the University of California, San Diego. Weaving reflections on dance, dramaturgy, and methodology, this article posits that dancing offers a pathway to the repatriation of Indigenous memory and kinship, a way to honor the trajectories of those whose connections with their communities have been interrupted by settler-colonialism. Dancing as a repatriation methodology, we argue, carves a healing space of sensate self-representation that centers on Indigenous forms of knowing and leaves no one behind.
Dancing Earth: Seeds Roots Plants and Foods, from Origi Nation to Re-Generation
Authors: Tangen Rulan
Published: April 2016

To me, life is essentially movement, and much of my journey has been living so that I may dance. Now, as a woman of color confronting disabilities as well as heightened awarenesses in my post-cancer reality, I dance to live; my dance has become a functional ritual for the continuance of all of life. I believe that art in some of its highest forms can be healing, thus I create dances to sustain health, harmony, and balance of all forms of life and interconnected relationships—the dance of ecology.
Ko Mitimiti ahau, I Am (of) the Place, Mitimiti
Authors: Gray Jack
Published: April 2016

Kia ora, tenei te mihi kia koutou. Warm greetings to you all. My culture shares ‘tikanga’, a way of doing, a conceptual framework based on notions of ancestral continuum and the passing down of codes, which embed land, sea, and sky within our consciousness. As the descendants of oceanic navigators, we as contemporary Maori still follow ancient practices of mapping to situate and connect place to person. In our traditional greeting, I would recite my ‘pepeha’—an oratory statement that places my ‘mana’ (power, authority) beneath the status of a tribal mountain, of our river, of our canoe (from our first navigators) of our meeting house (acknowledging the name of our first ancestor). Finally after all of these many genealogical citations, only then would we say our own name. Our name is always last, because we humbly do not put ourselves first. The land and all that has come before us is first and so it shall be for the next generation and the one after that. When Maori greet each other we constantly listen to find connective histories. Most likely we are distantly related and in doing so, it balances the space between where we may find mutual cooperation. In times long gone, these recitations would sometimes mean the difference between life and death, love and war. Reciprocity went both ways, and intertribal trauma inflicted upon one generation could be rebalanced in the next, perhaps killing, perhaps intermarriage. Contemporary Maori now deal with balances of other torn and shredded histories. But we are blessed with the knowledge that what was broken before, can and should be restored for the next. Tihei Mauriora. Let there be life.
Personalized crime location prediction
Authors: TAYEBI MOHAMMAD A. , GLÄSSER UWE , ESTER MARTIN , BRANTINGHAM PATRICIA L.
Published: April 2016

Crime reduction and prevention strategies are vital for policymakers and law enforcement to face inevitable increases in urban crime rates as a side effect of the projected growth of urban population by the year 2030. Studies conclude that crime does not occur uniformly across urban landscapes but concentrates in certain areas. This phenomenon has drawn attention to spatial crime analysis, primarily focusing on crime hotspots, areas with disproportionally higher crime density. In this paper, we present CrimeTracer1, a personalized random walk-based approach to spatial crime analysis and crime location prediction outside of hotspots. We propose a probabilistic model of spatial behaviour of known offenders within their activity spaces. Crime Pattern Theory concludes that offenders, rather than venture into unknown territory, frequently select targets in or near places they are most familiar with as part of their activity space. Our experiments on a large real-world crime dataset show that CrimeTracer outperforms all other methods used for location recommendation we evaluate here.
Echoes of the Eurasian Steppe in the Daily Culture of Mamluk Military Society
Authors: AMITAI REUVEN
Published: April 2016

The Mamluk Sultanate of Egypt and Syria (1250–1517ce) was based on a military-political elite of Eurasian Steppe provenance, brought to the Eastern Mediterranean as youths. In the early decades of the Sultanate, most of these were Qipchaq Turks, but additional groups of Turks, Mongols and others were also well represented. The impact of the Eurasian military tradition has been long noted by scholars. However, some other aspects of the Inner Asian legacy have not been fully explored. In this paper I will look at a few characteristics of this cultural heritage: names, daily language, drinking habits, sports, hunting, religious rituals, and cultural awareness. The question of identity of the ruling strata of the Dawlat al-Turk/al-Atrak (“The Dynasty/State of the Turks), as the Mamluk Sultanate was then known in Arabic, will be broached at the end of the paper.
Maternal and infant correlates of maternal feeding beliefs and practices in a multi-ethnic Asian population: the GUSTO (Growing Up in Singapore Towards healthy Outcomes) study
Authors: Quah Phaik Ling , Cheng Tuck Seng , Cheung Yin Bun , Yap Fabian , Saw Seang-Mei , Godfrey Keith M , Gluckman Peter D , Chong Yap-Seng , Chong Mary Foong-Fong
Published: April 2016

Objective

Little is known about the influences of maternal and infant correlates on maternal feeding beliefs and practices in the first 2 years of life, despite its important role in early obesogenic eating behaviours and weight gain.

Design

Cross-sectional study using demographic data of mothers and infants obtained at 26–28 weeks of gestation, and postnatally from birth to 15 months, respectively. The Infant Feeding Questionnaire was administered at 15 months postpartum. The associations between maternal and infant characteristics with seven maternal feeding beliefs and practices subscales were evaluated using multivariate linear regression analysis.

Setting

Data obtained from the Singapore GUSTO (Growing Up in Singapore Towards healthy Outcomes) mother–offspring birth cohort.

Subjects

Mothers and infants (n 1237).

Results

Among other maternal correlates such as age, education, BMI, income and milk feeding practices, ethnicity was a consistent factor associated with six subscales, including concern about infant overeating/undereating and weight status, concern and awareness about infants’ hunger and satiety cues, social interaction during feeding and feeding an infant on schedule. Similarly, among infant correlates such as gender and birth order, infant body size gain (reflected by BMI Z-score change from 0 to 15 months) was significantly associated with all subscales except feeding an infant on schedule. Overall, maternal correlates had greater influence on all subscales compared with infant correlates except for the maternal concern about infant undereating or becoming underweight subscale.

Conclusions

The present study highlights that maternal feeding beliefs and practices can be influenced by both maternal correlates and infant correlates at 15 months of age.
Dietary acculturation among the South-Asian Surinamese population in the Netherlands: the HELIUS study
Authors: Raza Qaisar , Nicolaou Mary , Snijder Marieke B , Stronks Karien , Seidell Jacob C
Published: April 2016

Objective

To test Koctürk’s model of dietary change among South-Asian Surinamese in the Netherlands. The model categorizes foods into staple, complementary and accessory foods and postulates that dietary change after migration begins with accessory foods while foods associated with ethnic identity (staple foods) change at a slower rate.

Design

Cross-sectional data from the HELIUS study. Dietary intake was assessed with an FFQ. Acculturation was based on social contacts and sense of belonging and was translated into four strategies of acculturation: assimilation, integration, separation and marginalization. Other indicators of acculturation included residence duration, age at migration and migration generation status.

Setting

Amsterdam, the Netherlands.

Subjects

Participants of Dutch (n 1456) and South-Asian Surinamese origin (n 968).

Results

Across all acculturation strategies, South-Asian Surinamese participants reported significantly higher intakes of rice (staple food) and chicken (complementary food) and significantly lower intakes of red meat and vegetables (complementary foods) and cookies and sweets (accessory food) than Dutch participants. Men, second-generation and assimilated South-Asian Surinamese were inclined towards Dutch foods such as potato, pasta and red meat. Accessory foods like fruits showed variation across acculturation strategies.

Conclusions

Consistent with the Koctürk model, the intake of staple foods was stable among South-Asian Surinamese irrespective of acculturation strategy while the intake of accessory foods like fruit varied. Contrary to expectations, South-Asian Surinamese showed consistently high intakes of complementary foods like chicken and fish irrespective of acculturation strategy. Public health practitioners should take into consideration the complex and dynamic nature of dietary acculturation.
Ergebnisorientierte Klassifikation Alkoholabhängiger zu Beginn einer stationären Behandlung
Authors: Vollmer Heinz C. , Domma-Reichart Julia
Published: April 2016

Zusammenfassung. Fragestellung: Gestattet die Kombination von Patienten-Merkmalen eine ergebnisorientierte Klassifikation Alkoholabhängiger? Methode: Naturalistische Feldstudie, in der retrospektiv mittels binärer logistischer Regression Unterschiede in Patienten-Merkmalen zwischen zur Ein-Jahres-Katamnese durchgehend abstinenten (N = 431) vs. rückfällig gewordenen Alkoholabhängigen (N = 382) analysiert wurden. Anhand der identifizierten Prognose-Merkmale wurden vier Klassen gebildet. Getrennt für die vier Klassen wurden mittels geschichteter Chi Quadrat Tests weitere Merkmale auf ihre prognostische Valenz geprüft. Ergebnisse: Mit den beiden stärksten Prognosemerkmalen Therapieerfahrung und Depressivität konnten vier Klassen gebildet werden, die sich in ihren Rückfallquoten (30 bis 65 %) signifikant unterschieden. Die Behandlungsdauer korrelierte nur bei den therapieerfahrenen nicht-depressiven Patienten (N = 239) mit späterer Abstinenz. Nur therapieerfahrene, depressive Patienten (N = 50) hatten bei Vorliegen einer Persönlichkeitsstörung höhere Rückfallquoten. Alter, Geschlecht, Schulbildung, Arbeitslosigkeit, Familienstand, Partnersituation und suchtspezifische Komorbiditäten waren für die gesamte Stichprobe und für die vier Klassen prognostisch nicht relevant. Schlussfolgerungen: Die Validität von Prädiktoren ist abhängig von der prozentualen Verteilung der Patientenmerkmale einer Stichprobe, der Therapie, der Stichprobengröße und der Erfolgsquote. Eine ergebnisorientierte Klassifikation gestattet die Ableitung verbesserter therapeutischer Strategien für hoch rückfallgefährdete Patienten. Verbesserte Therapiepläne werden die ergebnisorientierte Klassifikation im Rahmen des lernenden Kliniksystems verändern, so dass nicht von einer Zeitstabilität und Allgemeingültigkeit der klinikspezifischen Prädiktoren ausgegangen werden kann.
Wie social media den beruflichen Wissensaustausch fördern können
Authors: Utz Sonja
Published: April 2016

Zusammenfassung. Im Berufsleben spielt Wissensaustausch eine zentrale Rolle. In diesem Beitrag wird dargestellt, welche Rolle social media – sowohl unternehmensinterne Enterprise Social Networks als auch öffentlich zugängliche social media wie Xing oder Twitter – dabei spielen können. Social media erleichtern die Pflege eines großen und diversen Netzwerks und schaffen damit eine Voraussetzung für den Wissensaustausch. Für den tatsächlichen Wissensaustausch spielen die Lokalisierung von Expertise und Vertrauen eine wichtige Rolle. Zunächst werden generelle Befunde zur Eindrucksbildung und Beziehungspflege auf social media berichtet, bevor darauf eingegangen wird, wie Kommunikation via social media speziell dazu beitragen kann, Experten zu identifizieren und Vertrauen aufzubauen. Erste Ergebnisse zur Überprüfung dieser Prozesse werden vorgestellt und die Desiderate der bisherigen Forschung identifiziert.
Adding Emulsified Isoflurane to Cardioplegia Solution Produces Cardiac Protection in a Dog Cardiopulmonary Bypass Model
Authors: Huang Han , Zhou Cheng , Liu Jin , Song Haibo , Qiu Yan
Published: April 2016

This study investigated whether caridoplegia solution with Emulsified Isoflurane (EI) could improve cardiaoprotection in a dog CPB model of great similarity to clinical settings. Adult dogs were randomly assigned to receive one of the following cardioplegia solutions: St. Thomas with EI (group ST+EI), St. Thomas with 30% Intralipid (group ST+EL) and St. Thomas alone (group ST). The aorta was cross-clamped for two hours followed by reperfusion for another two hours, during which cardiac output was measured and dosages of positive inotropic agent to maintain normal hemodynamics were recorded. Serum level of cardiac troponin I (cTnI) and CK-MB were measured. Deletion of cardiac mitochondrial DNA was examined at the end of reperfusion. Compared with ST, ST+EI decreased the requirement of dopamine support while animals receiving ST+EI had a significantly larger cardiac output. ST+EI reduced post-CPB release of cTnI and CK-MB. Mitochondrial DNA loss was observed in only one of the tested animals from group ST+EI while it was seen in all the tested animals from group ST+EL and ST. Addition of emulsified isoflurane into cardioplegia solution protects against myocardial ischemia reperfusion injury. This protective effect might be mediated by preserving mitochondrial ultrastructure and DNA integrity.
Interaction of Caveolin-3 and HCN is involved in the pathogenesis of diabetic cystopathy
Authors: Dong Xingyou , Song Qixiang , Zhu Jingzhen , Zhao Jiang , Liu Qian , Zhang Teng , Long Zhou , Li Jia , Wu Chao , Wang Qingqing , Hu Xiaoyan , Damaser Margot , Li Longkun
Published: April 2016

A growing body of research suggests that impaired bladder Cajal-like interstitial cells (ICCs) are a important component in the pathogenesis of diabetes-induced bladder dysfunction, although the molecular mechanisms have not been illustrated completely. The purpose of this study was to examine whether the hyperpolarization-activated cyclic nucleotide-gated (HCN) channels in ICCs-DM were responsible for the detrusor weak contractility of Diabetic cystopathy (DCP) and to study the possible mechanism of regulating the expression and function of HCN channels. HCN channels expression were decreased at the mRNA and protein levels. Forskolin (FSK), which can elevate intracellular cAMP levels, increased the density of the hyperpolarization-activated current and intracellular calcium concentration in both normal control (NC) rats and DCP rats, but the sensitivity of FSK on HCN channels was clearly down-regulated in DCP rats. The loss of caveolae and caveolin was in accordance with the decrease in HCN channels. Caveolin-3 co-localizes with and affects the expression and function of HCN. Taken together, these results indicate that the loss of caveolae and HCN channels in ICCs-DM is important in the pathogenesis of DCP. Increasing the number of caveolae to enhance the function of HCN channels may represent a viable target for the pharmacological treatment of DCP.
A PARP1-ERK2 synergism is required for the induction of LTP
Authors: Visochek L. , Grigoryan G. , Kalal A. , Milshtein-Parush H. , Gazit N. , Slutsky I. , Yeheskel A. , Shainberg A. , Castiel A. , Seger R. , Langelier M. F. , Dantzer F. , Pascal J. M. , Segal M. , Cohen-Armon M.
Published: April 2016

Unexpectedly, a post-translational modification of DNA-binding proteins, initiating the cell response to single-strand DNA damage, was also required for long-term memory acquisition in a variety of learning paradigms. Our findings disclose a molecular mechanism based on PARP1-Erk synergism, which may underlie this phenomenon. A stimulation induced PARP1 binding to phosphorylated Erk2 in the chromatin of cerebral neurons caused Erk-induced PARP1 activation, rendering transcription factors and promoters of immediate early genes (IEG) accessible to PARP1-bound phosphorylated Erk2. Thus, Erk-induced PARP1 activation mediated IEG expression implicated in long-term memory. PARP1 inhibition, silencing, or genetic deletion abrogated stimulation-induced Erk-recruitment to IEG promoters, gene expression and LTP generation in hippocampal CA3-CA1-connections. Moreover, a predominant binding of PARP1 to single-strand DNA breaks, occluding its Erk binding sites, suppressed IEG expression and prevented the generation of LTP. These findings outline a PARP1-dependent mechanism required for LTP generation, which may be implicated in long-term memory acquisition and in its deterioration in senescence.
Sessile multidroplets and salt droplets under high tangential electric fields
Authors: Xie Guoxin , He Feng , Liu Xiang , Si Lina , Guo Dan
Published: April 2016

Understanding the interaction behaviors between sessile droplets under imposed high voltages is very important in many practical situations, e.g., microfluidic devices and the degradation/aging problems of outdoor high-power applications. In the present work, the droplet coalescence, the discharge activity and the surface thermal distribution response between sessile multidroplets and chloride salt droplets under high tangential electric fields have been investigated with infrared thermography, high-speed photography and pulse current measurement. Obvious polarity effects on the discharge path direction and the temperature change in the droplets in the initial stage after discharge initiation were observed due to the anodic dissolution of metal ions from the electrode. In the case of sessile aligned multidroplets, the discharge path direction could affect the location of initial droplet coalescence. The smaller unmerged droplet would be drained into the merged large droplet as a result from the pressure difference inside the droplets rather than the asymmetric temperature change due to discharge. The discharge inception voltages and the temperature variations for two salt droplets closely correlated with the ionization degree of the salt, as well as the interfacial electrochemical reactions near the electrodes. Mechanisms of these observed phenomena were discussed.
Real-time two- and three-dimensional imaging of monocyte motility and navigation on planar surfaces and in collagen matrices: roles of Rho
Authors: Bzymek Robert , Horsthemke Markus , Isfort Katrin , Mohr Simon , Tjaden Kerstin , Müller-Tidow Carsten , Thomann Marlies , Schwerdtle Tanja , Bähler Martin , Schwab Albrecht , Hanley Peter J.
Published: April 2016

We recently found that macrophages from RhoA/RhoB double knockout mice had increased motility of the cell body, but severely impaired retraction of the tail and membrane extensions, whereas RhoA- or RhoB-deficient cells exhibited mild phenotypes. Here we extended this work and investigated the roles of Rho signaling in primary human blood monocytes migrating in chemotactic gradients and in various settings. Monocyte velocity, but not chemotactic navigation, was modestly dependent on Rho-ROCK-myosin II signaling on a 2D substrate or in a loose collagen type I matrix. Viewed by time-lapse epi-fluorescence microscopy, monocytes appeared to flutter rather than crawl, such that the 3D surface topology of individual cells was difficult to predict. Spinning disk confocal microscopy and 3D reconstruction revealed that cells move on planar surfaces and in a loose collagen matrix using prominent, curved planar protrusions, which are rapidly remodeled and reoriented, as well as resorbed. In a dense collagen type I matrix, there is insufficient space for this mode and cells adopt a highly Rho-dependent, lobular mode of motility. Thus, in addition to its role in tail retraction on 2D surfaces, Rho is critical for movement in confined spaces, but is largely redundant for motility and chemotaxis in loose matrices.
Interaction between V-ATPase B2 and (Pro) renin Receptors in Promoting the progression of Renal Tubulointerstitial Fibrosis
Authors: Liu Yun , Zuo Sujun , Li Xiaoyan , Fan Jinjin , Cao Xueqin , Yu Xueqing , Yang Qiongqiong
Published: April 2016

To investigate the levels of (Pro) renin receptor [(P) RR], α-smooth muscle actin (α-SMA), fibronectin (FN), and vacuolar H+-ATPase (V-ATPase) subunits (B2, E, and c) in rat unilateral ureteral obstruction (UUO) models and rat proximal tubular epithelial cells (NRK-52E) treated with prorenin to elucidate the role of V-ATPase in these processes by activating the (P) RR. UUO significantly upregulated (P) RR, V-ATPase subunits, α-SMA and FN expression in tubulointerstitium or tubular epithelial cells. A marked colocalization of (P) RR and the B2 subunit was also observed. Prorenin treatment upregulated α-SMA, FN, (P) RR, and V-ATPase subunits and activity in NRK52E cell in a dose- and time-dependent manner. The V-ATPase inhibitor bafilomycin A1 partially blocked prorenin-induced (P) RR, FN, and α-SMA expression. Co-immunoprecipitate and immunofluorescence results demonstrated that the V-ATPase B2 subunit bound to the (P) RR, which was upregulated after prorenin stimulation. Either siRNA-mediated (P) RR or B2 subunit knockdown partially reduced V-ATPase activity and attenuated prorenin-induced FN and α-SMA expression. From the data we can assume that activation of (P) RR and V-ATPase may play an important role in tubulointerstitial fibrosis with possible involvement of interaction of V-ATPase B2 subunit and (P)RR.
Role of time delay on intracellular calcium dynamics driven by non-Gaussian noises
Authors: Duan Wei-Long , Zeng Chunhua
Published: April 2016

Effect of time delay (τ) on intracellular calcium dynamics with non-Gaussian noises in transmission processes of intracellular Ca2+ is studied by means of second-order stochastic Runge-Kutta type algorithm. By simulating and analyzing time series, normalized autocorrelation function, and characteristic correlation time of cytosolic and calcium store’s Ca2+ concentration, the results exhibit: (i) intracellular calcium dynamics’s time coherence disappears and stability strengthens as τ → 0.1s; (ii) for the case of τ < 0.1s, the normalized autocorrelation functions of cytosolic and calcium store’s Ca2+ concentration show damped motion when τ is very short, but they trend to a level line as τ → 0.1s, and for the case of τ > 0.1s, they show different variation as τ increases, the former changes from underdamped motion to a level line, but the latter changes from damped motion to underdamped motion; and (iii) at the moderate value of time delay, reverse resonance occurs both in cytosol and calcium store.
Substoichiometric inhibition of transthyretin misfolding by immune-targeting sparsely populated misfolding intermediates: a potential diagnostic and therapeutic for TTR amyloidoses
Authors: Galant Natalie J. , Bugyei-Twum Antoinette , Rakhit Rishi , Walsh Patrick , Sharpe Simon , Arslan Pharhad Eli , Westermark Per , Higaki Jeffrey N. , Torres Ronald , Tapia José , Chakrabartty Avijit
Published: April 2016

Wild-type and mutant transthyretin (TTR) can misfold and deposit in the heart, peripheral nerves, and other sites causing amyloid disease. Pharmacological chaperones, Tafamidis® and diflunisal, inhibit TTR misfolding by stabilizing native tetrameric TTR; however, their minimal effective concentration is in the micromolar range. By immune-targeting sparsely populated TTR misfolding intermediates (i.e. monomers), we achieved fibril inhibition at substoichiometric concentrations. We developed an antibody (misTTR) that targets TTR residues 89–97, an epitope buried in the tetramer but exposed in the monomer. Nanomolar misTTR inhibits fibrillogenesis of misfolded TTR under micromolar concentrations. Pan-specific TTR antibodies do not possess such fibril inhibiting properties. We show that selective targeting of misfolding intermediates is an alternative to native state stabilization and requires substoichiometric concentrations. MisTTR or its derivative may have both diagnostic and therapeutic potential.
Generation of siRNA Nanosheets for Efficient RNA Interference
Authors: Kim Hyejin , Lee Jae Sung , Lee Jong Bum
Published: April 2016

After the discovery of small interference RNA (siRNA), nanostructured siRNA delivery systems have been introduced to achieve an efficient regulation of the target gene expression. Here we report a new siRNA-generating two dimensional nanostructure in a formation of nanosized sheet. Inspired by tunable mechanical and functional properties of the previously reported RNA membrane, siRNA nanosized sheets (siRNA-NS) with multiple Dicer cleavage sites were prepared. The siRNA-NS has two dimensional structure, providing a large surface area for Dicer to cleave the siRNA-NS for the generation of functional siRNAs. Furthermore, downregulation of the cellular target gene expression was achieved by delivery of siRNA-NS without chemical modification of RNA strands or conjugation to other substances.
Moonlighting transcriptional activation function of a fungal sulfur metabolism enzyme
Authors: Levati Elisabetta , Sartini Sara , Bolchi Angelo , Ottonello Simone , Montanini Barbara
Published: April 2016

Moonlighting proteins, including metabolic enzymes acting as transcription factors (TF), are present in a variety of organisms but have not been described in higher fungi so far. In a previous genome-wide analysis of the TF repertoire of the plant-symbiotic fungus Tuber melanosporum, we identified various enzymes, including the sulfur-assimilation enzyme phosphoadenosine-phosphosulfate reductase (PAPS-red), as potential transcriptional activators. A functional analysis performed in the yeast Saccharomyces cerevisiae, now demonstrates that a specific variant of this enzyme, PAPS-red A, localizes to the nucleus and is capable of transcriptional activation. TF moonlighting, which is not present in the other enzyme variant (PAPS-red B) encoded by the T. melanosporum genome, relies on a transplantable C-terminal polypeptide containing an alternating hydrophobic/hydrophilic amino acid motif. A similar moonlighting activity was demonstrated for six additional proteins, suggesting that multitasking is a relatively frequent event. PAPS-red A is sulfur-state-responsive and highly expressed, especially in fruitbodies and likely acts as a recruiter of transcription components involved in S-metabolism gene network activation. PAPS-red B, instead, is expressed at low levels and localizes to a highly methylated and silenced region of the genome, hinting at an evolutionary mechanism based on gene duplication, followed by epigenetic silencing of this non-moonlighting gene variant.
Consequences of point mutations in melanoma-associated antigen 4 (MAGE-A4) protein: Insights from structural and biophysical studies
Authors: Hagiwara Yoshio , Sieverling Lina , Hanif Farina , Anton Jensy , Dickinson Eleanor R. , Bui Tam T. T. , Andreeva Antonina , Barran Perdita E. , Cota Ernesto , Nikolova Penka V.
Published: April 2016

The Melanoma-Associated Antigen A4 (MAGE-A4) protein is a target for cancer therapy. The function of this protein is not well understood. We report the first comprehensive study on key cancer-associated MAGE-A4 mutations and provide analysis on the consequences of these mutations on the structure, folding and stability of the protein. Based on Nuclear Magnetic Resonance and Circular Dichroism, these mutations had no significant effects on the structure and the folding of the protein. Some mutations affected the thermal stability of the protein remarkably. Native mass spectrometry of wild-type MAGE-A4 showed a broad charge state distribution suggestive of a structurally dynamic protein. Significant intensity was found in relatively low charge states, indicative of a predominantly globular form and some population in more extended states. The latter is supported by Ion Mobility measurements. The MAGE-A4 mutants exhibited similar features. These novel molecular insights shed further light on better understanding of these proteins, which are implicated in a wide range of human cancers.
Identification of a Potential Regulatory Variant for Colorectal Cancer Risk Mapping to 3p21.31 in Chinese Population
Authors: Ke Juntao , Lou Jiao , Zhong Rong , Chen Xueqin , Li Jiaoyuan , Liu Cheng , Gong Yajie , Yang Yang , Zhu Ying , Zhang Yi , Chang Jiang , Gong Jing
Published: April 2016

Genome-wide association studies (GWAS) have established chromosome 3p21.31 as a susceptibility locus for colorectal cancer (CRC) that lacks replication and exploration in the Chinese population. We searched potentially functional single nucleotide polymorphisms (SNPs) in the linkage disequilibrium (LD) block of 3p21.31 with chromatin immunoprecipitation-sequencing (ChIP-seq) data of histone modification and tested their association with CRC via a case-control study involving 767 cases and 1397 controls in stage 1 and 528 cases and 678 controls in stage 2. In addition to the tag SNP rs8180040 (odds ratio (OR) = 0.875, 95% confidence interval (95% CI) = 0.793−0.966, P = 0.008, P-FDR (false discovery rate) = 0.040), rs1076394 presented consistently significant associations with CRC risk at both stages with OR = 0.850 (95% CI = 0.771−0.938, P = 0.001, P-FDR = 0.005) under the additive model in combined analyses. Supported by the analyses of data from The Cancer Genome Atlas (TCGA) and Gene Expression Omnibus (GEO), it was suggested that rs1076394 served as an expression Quantitative Trait Loci (eQTL) for gene CCDC12 and NME6, while NME6’s expression was obviously higher in CRC tissues. Using biofeature information such as ChIP-seq and RNA sequencing (RNA-seq) data might help researchers to interpret GWAS results and locate functional variants for diseases in the post-GWAS era.