bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modern 2D QSAR for drug discovery
Authors: Lewis Richard A. , Wood David 
Published: April 2014

2D QSAR is a powerful tool for explaining the relationships between chemical structure and experimental observations. Key elements of the method are the numerical descriptors used to translate a chemical structure into mathematical variables, the quality of the observed data and the statistical methods used to derive the relationships between the observations and the descriptors. There are some caveats to what is essentially a simple procedure: overfitting of the data, domain applicability to new structures and making good error estimates for each prediction. 2D QSAR models are used routinely during the process of optimization of a chemical series towards a candidate for clinical trials. As more knowledge is gained in this area, 2D QSARs will become acceptable surrogates for experimental observations. WIREs Comput Mol Sci 2014, 4:505–522. doi: 10.1002/wcms.1187This article is categorized under:

Structure and Mechanism > Molecular Structures
Computer and Information Science > Chemoinformatics
Scientific modeling with cellular automata
Authors: Schiff Joel L. 
Published: April 2014

Cellular automata provide a simple environment in which to discretize time and space in order to investigate natural phenomena. In a two‐dimensional scenario for example, the action usually takes place in a rectangular array of cells (although other cell shapes can be used) and each cell exists in one of several ‘states’. In discrete time‐steps all cells change their state in unison according to a locally prescribed rule that takes into account the state of each cell's neighbors at the previous time‐step. This elementary but powerful framework has been highly successful in modeling various scientific phenomena from a broad spectrum of disciplines, some of which are reviewed in this article. Both qualitative and quantitative data can be obtain by the cellular automata approach.This article is categorized under:

Algorithms and Computational Methods > Computational Complexity
Applications of Computational Statistics > Computational and Molecular Biology
Statistical Learning and Exploratory Methods of the Data Sciences > Modeling Methods
Mesh Fixation at Laparoscopic Inguinal Hernia Repair: A Meta‐Analysis Comparing Tissue Glue and Tack Fixation
Authors: Shah Nehal S. , Fullwood Catherine , Siriwardena Ajith K. , Sheen Aali J. 
Published: April 2014

AbstractBackgroundThe aim of this study was to conduct a comprehensive systematic review comparing tissue glue (TG) against tacks/staples for mesh fixation in laparoscopic (totally extra‐peritoneal and trans‐abdominal pre‐peritoneal) groin hernia repair with the incidence of post‐operative chronic pain as the primary outcome measure.
MethodsA computerized search of MEDLINE, EMBASE, and Cochrane databases for the period from 1 January 1,990 to 30 June 2013 produced 39 reports. The quality of reports was assessed according to criteria reported by the Cochrane communication review group.ResultsFive randomized controlled trials (RCTs, 491 patients) and five non‐RCTs (1,034 patients) fulfilled the selection criteria. A meta‐analysis of chronic pain from the five RCTs gave a statistically significant Peto odds ratio (OR) of 0.40 (0.21–0.76; p = 0.005) indicating that the TG group experience less chronic pain. Although the studies are underpowered to detect recurrence, the meta‐analysis of the recurrence rates from the RCTs identified no difference between tacks/staple and glue fixation (OR 2.36; 0.67–8.37). There were also no differences found in meta‐analysis of seroma and hematoma formation between the two methods of fixation. The wide variation in time points regarding pain score meant it was not possible to combine the studies and perform analysis for pain score with earlier time points.ConclusionsMeta‐analysis of RCTs comparing TG with tack fixation in laparoscopic inguinal hernia surgery depicts a significant reduction in chronic pain with no increase in recurrence rates. Early post‐operative outcome is similar after both methods of mesh fixation, although larger RCTs are required, with long‐term pain as the primary endpoint.
Yup'ik Culture and Context in Southwest Alaska: Community Member Perspectives of Tradition, Social Change, and Prevention
Authors: Ayunerak Paula , Alstrom Deborah , Moses Charles , Charlie James , Rasmus Stacy M. 
Published: April 2014

AbstractThis paper provides an introduction to key aspects of Yup'ik Inuit culture and context from both historical and contemporary community member perspectives. Its purpose is to provide a framework for understanding the development and implementation of a prevention initiative centered on youth in two communities in Southwest Alaska as part of collaboration with the University of Alaska Fairbanks and the National Institutes of Health. This paper is written from the perspective of elders and local prevention workers from each of the two prevention communities. The co‐authors discuss their culture and their community from their own perspectives, drawing from direct experience and from ancestral knowledge gained through learning and living the Yuuyaraq or the Yup'ik way of life. The authors of this paper identity key aspects of traditional Yup'ik culture that once contributed to the adaptability and survivability of their ancestors, particularly through times of hardship and social disruption. These key processes and practices represent dimensions of culture in a Yup'ik context that contribute to personal and collective growth, protection and wellbeing. Intervention development in Yup'ik communities requires bridging historical cultural frames with contemporary contexts and shifting focus from reviving cultural activities to repairing and revitalizing cultural systems that structure community.
Fertility preservation in men with cancer
Authors: Chiba Koji , Fujisawa Masato 
Published: April 2014

AbstractDue to recent advances in medical technologies, cancer has become more curable and chronic, and post‐treatment quality of life, including male fertility, has become an important issue. Cancer itself can affect spermatogenesis through complex interactions, and cancer treatment such as surgery, radiotherapy and chemotherapy, all have certain detrimental effects on spermatogenesis. Currently, sperm cryopreservation before cancer treatment is the mainstay of fertility preservation, and is recommended by numerous guidelines. Although fertility preservation should be discussed with all cancer patients before treatment, it still remains underused. Postpubertal patients who are unable to bank sperm may undergo testicular sperm extraction before treatment. For prepubertal boys, there is no clinically established guideline for fertility preservation. Investigations such as spermatogonial stem cell culture are ongoing, and may lead to clinical options for fertility preservation in the future.
Strategy compatibility: The time versus money effect on product evaluation strategies
Authors: Su Lei , Gao Leilei 
Published: April 2014

AbstractWe show that time priming leads consumers to adopt an alternative‐based evaluation strategy, whereas money priming elicits the use of an attribute‐based evaluation strategy. In Experiment 1, we used process tracing in Mouselab to test this proposition, and the results suggested that the effect of time versus money priming on the choice of product‐evaluation strategy was mediated by a holistic versus piecemeal information‐processing. The results of Experiments 2A and 2B showed that the use of time versus money priming to trigger the choice of an alternative‐based versus attribute‐based evaluation strategy may result in systematic preference reversals. Specifically, when time (versus money) was primed, the participants were found to be more likely to choose a product dominating on a verbally described (versus numerically described) attribute (Experiment 2A), and one dominating on a non‐alignable (versus alignable) attribute (Experiment 2B).
GOOD FAITH AND THE TRIPS AGREEMENT: PUTTING FLESH ON THE BONES OF THE TRIPS ‘OBJECTIVES’
Authors: Slade Alison 
Published: April 2014

AbstractThe WTO Panel decision inUnited States–Section 211 Omnibus Appropriations Act 1998provides an interesting, and as yet under-appreciated, explanation of the function of one of the most politically debated articles of the TRIPS Agreement—Article 7. This provision has received limited recognition from the Dispute Settlement Body of the WTO. Consequently, the Panel's interpretation of Article 7 as an expression of thegood faithprinciple is noteworthy, and is one that is not disavowed by the Appellate Body. Not only does the Panel acknowledge Article 7 as an effective source of law within the international intellectual property system, but in doing so it introduces into the TRIPS Agreement legal concepts that are not explicit within the text. This has implications for the function of this provision and also for the nature of the obligations arising under the Agreement for Member States. This article analyses the potential significance of this development by defining the scope of the good faith principle within the TRIPS Agreement. Particular reference will also be made to the role Article 7, as an expression of the good faith principle, may have in the forthcoming WTO dispute against Australia and its law on plain packaging for tobacco products.
Information and Self-Enforcing Democracy: The Role of International Election Observation
Authors: Hyde Susan D. , Marinov Nikolay 
Published: April 2014

AbstractThis article argues that when democracy is not yet institutionalized, leaders have little incentive to push for clean elections, in part because they are likely to face accusations of fraud from domestic opposition groups regardless of their true behavior. Reputable international election observers can facilitate self-enforcing democracy by providing credible information about the quality of elections, thus increasing citizens’ ability to coordinate against the regime when election fraud occurs, and discrediting “sore loser” protests. Patterns of postelection protests are consistent with the argument, including that postelection protests are more likely and last longer following negative reports from international observers. International election observers help promote democracy by making postelection protest more accurate in the short term, thereby increasing incentives for leaders to hold democratic elections in the long term.
Wheat seedlings growth response to water deficiency and how it correlates with adult plant tolerance to drought
Authors: DODIG D. , ZORIĆ M. , JOVIĆ M. , KANDIĆ V. , STANISAVLJEVIĆ R. , ŠURLAN-MOMIROVIĆ G. 
Published: April 2014

SUMMARYImproving resistance to water and osmotic stresses at the seedling stage is becoming a much more important target for wheat breeders due to an increase in the frequency and severity of drought occurrences at the crop establishment and tillering phases in many wheat growing areas of the world. Ninety-six diverse wheat genotypes were laboratory tested for germination and growth response under osmotic stress induced by polyethylene glycol (PEG). Germination percentage, mean germination time, coleoptile length, shoot length and shoot growth rate were compared under stress (−0·4 MPa) and control (0·0 MPa) conditions. The same genotypes were previously grown in field trials exposed to drought stress during the anthesis and/or grain filling growth stage along with control (optimum) conditions. Grain yield (GY) and 19 other traits of agronomic importance (earliness, stem-related traits, number of kernels, mass of 1000 grains, etc.) were recorded. All seedling traits under PEG-induced water stress showed the highest relationship with the stem and stem-related traits of adult plants. To study the correlation between stress tolerance in the seedling and reproductive stages, three stress indices (tolerance index (TOL), stress susceptibility index (SSI) and stress tolerance index (STI)) for the seedling traits and GY under pre- and post-anthesis drought stress were calculated, based on a mean trait value obtained under stress and the corresponding trait value under control conditions. The ranking of the genotypes based on TOL and STI from seedling traits was found in most cases to be significantly correlated with the ranking of genotypes based on TOL and STI from GY, respectively.
Effects of the vertical and horizontal availability of food resources: the diet selection of sheep grazing on natural grassland
Authors: CHEN W. Q. , WANG X. Y. , ZHANG Y. J. , HUANG D. 
Published: April 2014

SUMMARYThe relationship between sheep diet selection and the vertical/horizontal availability of plant species on complex natural Leymus chinensis grassland was investigated. Two plots (low and high stocking rate plots) with different vegetation availabilities, created by adjusting sheep numbers, were studied for 3 months (June, July and August). In each month, the sheep's diet composition was estimated using n-alkanes in combination with long-chain alcohols and/or fatty acid markers. Vertical (sward surface height) and horizontal food availability (proportion cover of individual plant species) were determined simultaneously. The results revealed that sheep diet composition varied greatly according to seasonal variations in vegetation availability, and that sheep diet selection was related to the vertical and horizontal availability of plant species on both plots. Horizontal availability, which turned out to be the main influencing factor, was strongly and positively correlated with sheep diet composition in each month on both plots. On the low stocking rate plot, vertical availability affected sheep consumption in June, July and August. In contrast, a significant correlation between diet composition and vertical availability was only observed in July on the high stocking rate plot. These results suggest that the relative importance of vertical and horizontal availability differed between plots depending on vegetation availability. Horizontal availability played a more important role than vertical availability when sheep grazed freely on natural L. chinensis grassland. Finally, the changing selectivity index for each plant species in each grazing period on both plots indicated different grazing impacts on vegetation communities when vegetation availability differed.
Seasonal changes in size, sex-ratio and body condition of the damselfishChromis chromisin the central Mediterranean Sea
Authors: Bracciali Claudia , Piovano Susanna , Sarà Gianluca , Giacoma Cristina 
Published: April 2014

Chromis chromisis one of the most abundant fish species on the Mediterranean rocky shores. Acting as a by-pass of nutrients from the pelagic to the rocky littoral system, it plays an important role as a resource provider and has a relevant function in the community assemblage.Chromis chromishas many of the characteristics required of an indicator species (e.g. it is easy to recognize in the field, small sized, widespread and abundant). In this study we focused on individual size, sex-ratio and body condition in a damselfish population occurring in a central Mediterranean marine protected area. Fishing trials on a monthly basis (April–November) allowed us to assess seasonal changes in population structure. Fish were measured and weighed and a subsample was aged and sexed. On average, males were larger than females. The allometric coefficient,b, for the whole population was 2.99; the maximum age recorded was 7.5 yr. Before reproduction sex-ratio was close to parity (M:F 1:0.78), while a larger proportion of females was captured during the reproductive period. In conclusion, our results show that the population dynamics ofC. chromisis influenced by both sex and size. Since males and females have different behavioural strategies, and since the length of the spawning period is shorter in the smaller than in the larger-sized individuals, this is reflected in temporal changes observed in the population structure.
Mechanisms underpinning inattention and hyperactivity: neurocognitive support for ADHD dimensionality
Authors: Salum G. A. , Sonuga-Barke E. , Sergeant J. , Vandekerckhove J. , Gadelha A. , Moriyama T. S. , Graeff-Martins A. S. , Manfro G. G. , Polanczyk G. , Rohde L. A. P. 
Published: April 2014

Background.Taxometric and behavioral genetic studies suggest that attention deficit hyperactivity disorder (ADHD) is best modeled as a dimension rather than a category. We extended these analyses by testing for the existence of putative ADHD-related deficits in basic information processing (BIP) and inhibitory-based executive function (IB-EF) in individuals in the subclinical and full clinical ranges. Consistent with the dimensional model, we predicted that ADHD-related deficits would be expressed across the full spectrum, with the degree of deficit linearly related to the severity of the clinical presentation.Method.A total of 1547 children (aged 6–12 years) participated in the study. The Development and Well-Being Assessment (DAWBA) was used to classify children into groups according to levels of inattention and hyperactivity independently: (1) asymptomatic, (2) subthreshold minimal, (3) subthreshold moderate and (4) clinical ADHD. Neurocognitive performance was evaluated using a two-choice reaction time task (2C-RT) and a conflict control task (CCT). BIP and IB-EF measures were derived using a diffusion model (DM) for decomposition of reaction time (RT) and error data.Results.Deficient BIP was found in subjects with minimal, moderate and full ADHD defined in terms of inattention (in both tasks) and hyperactivity/impulsivity dimensions (in the 2C-RT). The size of the deficit increased in a linear manner across increasingly severe presentations of ADHD. IB-EF was unrelated to ADHD.Conclusions.Deficits in BIP operate at subclinical and clinical levels of ADHD. The linear nature of this relationship provides support for a dimensional model of ADHD in which diagnostic thresholds are defined in terms of clinical and societal burden rather than representing discrete pathophysiological states.
Cognitive–behavioural therapy augments the effects of deep brain stimulation in obsessive–compulsive disorder
Authors: Mantione M. , Nieman D. H. , Figee M. , Denys D. 
Published: April 2014

Background.Deep brain stimulation (DBS) is a promising new treatment for patients with treatment-refractory obsessive–compulsive disorder (OCD). However, since most DBS patients only show a partial response, the treatment still needs to be improved. In this study we hypothesized that cognitive–behavioural therapy (CBT) could optimize the post-operative management in DBS and we evaluated the efficacy of CBT as augmentation to DBS targeted at the nucleus accumbens.Method.A total of 16 patients with treatment-refractory OCD were treated with DBS targeted at the nucleus accumbens. After stabilization of decline in OCD symptoms, a standardized 24-week CBT treatment programme was added to DBS in an open-phase trial of 8 months. Changes in obsessive–compulsive, anxiety and depressive symptoms were evaluated using the Yale–Brown Obsessive Compulsive Scale, Hamilton Anxiety Scale and Hamilton Rating Scale for Depression.Results.Following the addition of CBT to DBS, a significant decrease in obsessive–compulsive symptoms was observed, but not in anxiety and depressive symptoms. In a subsequent double-blind phase, in which stimulation was discontinued, OCD symptoms returned to baseline (relapse) and anxiety and depressive symptoms worsened (rebound) compared with baseline.Conclusions.The results of this explorative study suggest that a combined treatment of accumbens DBS and CBT may be optimal for improving obsessive–compulsive symptoms in treatment-refractory OCD. However, a subsequent randomized controlled trial is necessary to draw firm conclusions. It seems that DBS results in affective changes that may be required to enable response prevention in CBT. This may indicate that DBS and CBT act as two complementary treatments.
Longitudinal epigenetic variation of DNA methyltransferase genes is associated with vulnerability to post-traumatic stress disorder
Authors: Sipahi L. , Wildman D. E. , Aiello A. E. , Koenen K. C. , Galea S. , Abbas A. , Uddin M. 
Published: April 2014

Background.Epigenetic differences exist between trauma-exposed individuals with and without post-traumatic stress disorder (PTSD). It is unclear whether these epigenetic differences pre-exist, or arise following, trauma and PTSD onset.Method.In pre- and post-trauma samples from a subset of Detroit Neighborhood Health Study participants, DNA methylation (DNAm) was measured at DNA methyltransferase 1 (DNMT1),DNMT3A, DNMT3BandDNMT3L. Pre-trauma DNAm differences and changes in DNAm from pre- to post-trauma were assessed between and within PTSD cases (n = 30) and age-, gender- and trauma exposure-matched controls (n = 30). Pre-trauma DNAm was tested for association with post-trauma symptom severity (PTSS) change. Potential functional consequences of DNAm differences were explored via bioinformatic search for putative transcription factor binding sites (TFBS).Results.DNMT1DNAm increased following trauma in PTSD cases (p = 0.001), but not controls (p = 0.067).DNMT3AandDNMT3BDNAm increased following trauma in both cases (DNMT3A:p = 0.009;DNMT3B:p < 0.001) and controls (DNMT3A:p = 0.002;DNMT3B:p < 0.001). In cases only, pre-trauma DNAm was lower at aDNMT3BCpG site that overlaps with a TFBS involved in epigenetic regulation (p = 0.001); lower pre-traumaDNMT3BDNAm at this site was predictive of worsening of PTSS post-trauma (p = 0.034). Some effects were attenuated following correction for multiple hypothesis testing.Conclusions.DNAm among trauma-exposed individuals shows both longitudinal changes and pre-existing epigenetic states that differentiate individuals who are resilientversussusceptible to PTSD. These distinctive DNAm differences withinDNMTloci may contribute to genome-wide epigenetic profiles of PTSD.
The role of oxytocin in empathy to the pain of conflictual out-group members among patients with schizophrenia
Authors: Abu-Akel A. , Fischer-Shofty M. , Levkovitz Y. , Decety J. , Shamay-Tsoory S. 
Published: April 2014

Background.Oxytocin (OT) is associated with our ability to empathize and has been shown to play a major role in mediating social behaviors within the context of intergroup dynamics. Schizophrenia is associated with impaired empathy, and with a dysfunctional oxytocinergic system. The effect of OT on the empathic responses of patients with schizophrenia within the context of intergroup relationships has not been studied. The present study examined the effect of OT on the patients' empathic responses to pain experienced by in-group, conflictual out-group and neutral out-group members.Method.In a double-blind, placebo-controlled, within-subject cross-over design, the responses on the Pain Evaluation Task of 28 male patients with schizophrenia were compared to 27 healthy male controls. All participants received a single intranasal dose of 24 IU OT or placebo, 1 week apart.Results.OT induced an empathy bias in the healthy controls towards the conflictual out-group members. Although this effect was absent in the patient group, OT seems to heighten an empathic bias in the patient group towards the in-group members when rating non-painful stimuli.Conclusions.The study demonstrates that the administration of OT can result in empathic bias towards adversary out-group members in healthy controls but not in patients with schizophrenia. However, the OT-induced bias in both the patients (in the no-pain condition towards the in-group members) and the healthy controls (in the no-pain and pain conditions towards the adversary out-group) suggests that OT enhances the distinction between conflictual in-group and out-group members.