bluuebunny/crossref_metadata_2025 huggingface dataset:
A small yet comprehensive subset of human experimental pain models emerging from correlation analysis with a clinical quantitative sensory testing protocol in healthy subjects
Authors: Lötsch J. , Dimova V. , Ultsch A. , Lieb I. , Zimmermann M. , Geisslinger G. , Oertel B.G.
Published: October 2015

Background

Picturing the complexity of pain in human experimental settings has increased the predictivity for clinical pain but requires increasingly complex test batteries. This raises problems in studies in which time is objectively limited, for example by the course of action of an analgesic drug. We addressed the selection of a small yet comprehensive set of pain tests for the use in such a situation.

Method

Nineteen different pain measures from ‘classical’ pain models (n = 9) and a clinically established QST‐pain test battery (n = 10), were obtained from 72 healthy volunteers (34 men). The nonparametric correlation structure among the various pain measures was analysed using Ward clustering.

Results

Four clusters emerged, each consisting of highly correlated pain measures. The pain model groups emerged comprised (I) pain thresholds and tolerances to blunt pressure or electrical pain; (II) pain thresholds to thermal stimuli; (III) pain measures obtained following application of punctate mechanical, intranasal CO2 chemical or cutaneous laser heat stimuli; and (IV) detection thresholds to thermal stimuli. The first three clusters agreed with an immediate mechanistic interpretation as reflecting C‐fibre mediated pain, thermal pain and Aδ‐fibre mediated pain, respectively, whereas the last cluster contained non‐painful measures and was disregarded.

Conclusions

When basing a selection of a small comprehensive set of pain models on the assumption that highly correlated pain measures account for redundant results and therefore, one member of each group suffices an economic yet comprehensive pain study, results suggest inclusion of established C‐fibre, Aδ‐fibre mediated and thermal pain measures.
Attenuation of pain behaviour by local administration of alpha‐2 adrenoceptor antagonists to dorsal root ganglia in a rat radiculopathy model
Authors: Ogon I. , Takebayashi T. , Miyakawa T. , Iwase T. , Tanimoto K. , Terashima Y. , Jimbo S. , Kobayashi T. , Tohse N. , Yamashita T.
Published: October 2015

Background

There were several reports suggesting α‐adrenoceptor antagonists are effective to treat neuropathic pain. The aims of this study were as follows: (1) to introduce drug delivery system for dorsal root ganglion (DRG) neurons; (2) to elucidate the effects of α‐adrenoceptor antagonists in acute, subacute or chronic phase and (3) to determine which subtype of adrenoceptor was mainly involved.

Method

We used 130 male Sprague‐Dawley rats. After root constriction, rats received three local injections of α‐adrenoceptor antagonists around DRG. We administered the non‐selective α‐adrenoceptor antagonist phentolamine for 3 consecutive days from day 0, 4 or 11 after the surgery, and the α1‐adrenoceptor antagonist prazosin, the α1‐adrenoceptor antagonist silodosin, the more preferred α1‐adrenoceptor than prazosin and the α2‐adrenoceptor antagonist yohimbine for 3 consecutive days from day 0 after the surgery.

Results

Phentolamine and yohimbine continually attenuated pain behaviour. Prazosin at high dose attenuated pain behaviour, however, prazosin at low dose did not attenuate pain behaviour every experimental day. Silodosin had no analgesic effect. Phentolamine injections from day 4 after surgery attenuated pain behaviour that had been established on the 3rd experimental day until the 28th post‐operative day, although effect of phentolamine wore off. Phentolamine injections from day 11 after surgery temporarily attenuated pain behaviour that had been established on the 3rd, 7th and 10th experimental days.

Conclusions

This study showed α‐adrenoceptor antagonists could suppress pain behaviour via α2‐adrenoceptor in acute phase and temporary attenuate pain behaviour in chronic phase. These findings presented potentials sympathetic nerve blockade contributed to treat neuropathic pain.
Markers of subsyndromal depression in very old persons
Authors: Ludvigsson Mikael , Marcusson Jan , Wressle Ewa , Milberg Anna
Published: October 2015

Objective

To investigate factors associated with subsyndromal depression (SSD) in very old persons, and to develop a model for prediction of SSD among very old persons.

Methods

A cross‐sectional, population‐based study was undertaken on 85‐year‐old persons in Sweden. Data were collected from a postal questionnaire, assessments in the participants' homes and at reception visits. Depressiveness was screened with GDS‐15 (Geriatric Depression Scale), and the results were classified into three outcome categories: non‐depression (ND), SSD and syndromal depression. Data were analysed with binary logistic, ordinal logistic and linear regression.

Results

With univariate logistic regression 20 factors associated with SSD were identified in very old persons, and the four hypothesized domains—sociodemographic factors, declining physical functioning, neuropsychiatric factors and existential factors—significantly related to SSD. The multivariate logistic model included seven independent factors that increase the likelihood of SSD instead of ND (lower self‐perceived health, life not meaningful, problems with self‐care, use of tranquilizing medication, no contact with neighbours, history of affective disorder and history of stroke). The ordinal logistic and the linear regression models resulted in seven partly different factors for predicting SSD and depressiveness, in the very old.

Conclusions

The identified markers may help clinicians with the detection, prevention and treatment of SSD in very old persons. The findings indicate the importance of a comprehensive functional approach to diagnosing and treating depressiveness in this population, and the findings might be interpreted as offering support for the coexistence of a dimensional and a categorical view on depressive disorders. Copyright © 2015 John Wiley & Sons, Ltd.
The Test Your Memory cognitive screening tool: sociodemographic and cardiometabolic risk correlates in a population‐based study of older British men
Authors: Papachristou Efstathios , Ramsay Sheena E. , Papacosta Olia , Lennon Lucy T. , Iliffe Steve , Whincup Peter H. , Goya Wannamethee S.
Published: October 2015

Objective

This study aimed to examine the association of Test Your Memory (TYM)‐defined cognitive impairment groups with known sociodemographic and cardiometabolic correlates of cognitive impairment in a population‐based study of older adults.

Methods

Participants were members of the British Regional Heart Study, a cohort across 24 British towns initiated in 1978–1980. Data stemmed from 1570 British men examined in 2010–2012, aged 71–92 years. Sociodemographic and cardiometabolic factors were compared between participants defined as having TYM scores in the normal cognitive ageing, mild cognitive impairment (MCI) and severe cognitive impairment (SCI) groups, defined as ≥46 (45 if ≥80 years of age), ≥33 and <33, respectively.

Results

Among 1570 men, 636 (41%) were classified in the MCI and 133 (8%) in the SCI groups. Compared with participants in the normal cognitive ageing category, individuals with SCI were characterized primarily by lower socio‐economic position (odds ratio (OR) = 6.15, 95% confidence interval (CI) 4.00–9.46), slower average walking speed (OR = 3.36, 95% CI 2.21–5.10), mobility problems (OR = 4.61, 95% CI 3.04–6.97), poorer self‐reported overall health (OR = 2.63, 95% CI 1.79–3.87), obesity (OR = 2.59, 95% CI 1.72–3.91) and impaired lung function (OR = 2.25, 95% CI 1.47–3.45). A similar albeit slightly weaker pattern was observed for participants with MCI.

Conclusion

Sociodemographic and lifestyle factors as well as adiposity measures, lung function and poor overall health are associated with cognitive impairments in late life. The correlates of cognitive abilities in the MCI and SCI groups, as defined by the TYM, resemble the risk profile for MCI and Alzheimer's disease outlined in current epidemiological models. © 2016 The Authors. International Journal of Geriatric Psychiatry Published by John Wiley & Sons, Ltd.
Adolescents' co‐rumination and stress predict affective changes in a daily‐diary paradigm
Authors: Hruska Laura C. , Zelic Kate J. , Dickson Kelsey S. , Ciesla Jeffrey A.
Published: October 2015

Co‐rumination has been related to both high quality friendship and depressive symptoms. However, little is known regarding the extent to which co‐rumination may be detrimental, its distinction from rumination and potential gender differences in co‐rumination. This study used a modified version of Rose's Co‐rumination Questionnaire (Rose, 2002) to examine the behaviour of daily co‐rumination with daily stress and negative affect among adolescents. Results demonstrated that co‐rumination did not have a main effect in predicting negative affect, but did evidence a significant interaction with life stress. Additionally, co‐rumination demonstrated incremental utility above that of rumination. Finally, gender differences were not supported. In conclusion, this investigation revealed that co‐rumination exacerbates the effects of life stress and is predictive of increased internalising symptoms.
Deletion of Rac in Mature Osteoclasts Causes Osteopetrosis, an Age-Dependent Change in Osteoclast Number, and a Reduced Number of Osteoblasts In Vivo
Authors: Zhu Meiling , Sun Ben-hua , Saar Katarzyna , Simpson Christine , Troiano Nancy , Dallas Sarah L , Tiede-Lewis LeAnn M , Nevius Erin , Pereira João P , Weinstein Robert S , Tommasini Steven M , Insogna Karl L
Published: October 2015

Rac1 and Rac2 are thought to have important roles in osteoclasts. Therefore, mice with deletion of both Rac1 and Rac2 in mature osteoclasts (DKO) were generated by crossing Rac1flox/flox mice with mice expressing Cre in the cathepsin K locus and then mating these animals with Rac2-/- mice. DKO mice had markedly impaired tooth eruption. Bone mineral density (BMD) was increased 21% to 33% in 4- to 6-week-old DKO mice at all sites when measured by dual-energy X-ray absorptiometry (DXA) and serum cross-linked C-telopeptide (CTx) was reduced by 52%. The amount of metaphyseal trabecular bone was markedly increased in DKO mice, but the cortices were very thin. Spinal trabecular bone mass was increased. Histomorphometry revealed significant reductions in both osteoclast and osteoblast number and function in 4- to 6-week-old DKO animals. In 14- to 16-week-old animals, osteoclast number was increased, although bone density was further increased. DKO osteoclasts had severely impaired actin ring formation, an impaired ability to generate acid, and reduced resorptive activity in vitro. In addition, their life span ex vivo was reduced. DKO osteoblasts expressed normal differentiation markers except for the expression of osterix, which was reduced. The DKO osteoblasts mineralized normally in vitro, indicating that the in vivo defect in osteoblast function was not cell autonomous. Confocal imaging demonstrated focal disruption of the osteocytic dendritic network in DKO cortical bone. Despite these changes, DKO animals had a normal response to treatment with once-daily parathyroid hormone (PTH). We conclude that Rac1 and Rac2 have critical roles in skeletal metabolism. © 2015 American Society for Bone and Mineral Research.
Crataegus azarolus Leaves Induce Antiproliferative Activity, Cell Cycle Arrest, and Apoptosis in Human HT‐29 and HCT‐116 Colorectal Cancer Cells
Authors: Mustapha Nadia , Pinon Aline , Limami Youness , Simon Alain , Ghedira Kamel , Hennebelle Thierry , Chekir‐Ghedira Leila
Published: October 2015

Limited success has been achieved in extending the survival of patients with metastatic colorectal cancer (CRC). There is a strong need for novel agents in the treatment and prevention of CRC. Therefore, in the present study we evaluated the antiproliferative and pro‐apoptotic potential of Crataegus azarolus ethyl acetate extract in HCT‐116 and HT‐29 human colorectal cancer cell lines. Moreover, we attempted to investigate the signaling pathways that should be involved in its cytotoxic effect. The Crataegus azarolus ethyl acetate extract‐induced growth inhibitory effect was associated with DNA fragmentation, sub‐G1 peak, loss of mitochondrial potential, and poly (ADP‐ribose) polymerase (PARP) cleavage. In addition, ethyl acetate extract of Crataegus azarolus induced the cleavage of caspase‐8. It has no effect on steady‐state levels of total Bcl‐2 protein. Whereas Bax levels decreased significantly in a dose‐dependent manner in both tested cell lines. Taken together, these findings confirm the involvement of the extrinsic pathway of apoptosis. The apoptotic cell death induced by ethyl acetate extract of Crataegus azarolus was accompanied by an enhancement of the p21 expression but not through p53 activation in human colorectal cancer cells. The above‐mentioned data provide insight into the molecular mechanisms of Crataegus azarolus ethyl acetate extract‐induced apoptosis in CRC. Therefore, this compound should be a potential anticancer agent for the treatment of CRC. J. Cell. Biochem. 117: 1262–1272, 2016. © 2015 Wiley Periodicals, Inc.
Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform
Authors: Peng Xiangda , Zhang Yuebin , Chu Huiying , Li Guohui
Published: October 2015

The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc.
Possible Involvement of Serum and Synovial Fluid Resistin in Knee Osteoarthritis: Cartilage Damage, Clinical, and Radiological Links
Authors: Song Yong‐zhou , Guan Jian , Wang Hua‐jun , Ma Wei , Li Feng , Xu Fang , Ding Luo‐bin , Xie Lei , Liu Bo , Liu Kai , Lv Zhe
Published: October 2015

Background

Resistin is an adipocytokine associated with inflammation and insulin resistance. Recent studies have shown that resistin plays an important role in the pathogenesis and progression in osteoarthritis (OA) patients. The current study was aimed at investigating the relationship between resistin in serum and synovial fluid (SF) and disease severity in patients with knee osteoarthritis.

Method

Seventy‐four patients diagnosed with knee OA and 79 healthy controls receiving regular body check in our hospital were recruited in the study. The Noyes score method was used to assess articular cartilage damage arthroscopically. The symptomatic severity was evaluated according to the Western Ontario McMaster University Osteoarthritis (WOMAC) scores. The radiographic disease severity of OA was assessed by the Kellgren‐Lawrence (K–L) grading system. The resistin levels in serum and SF were determined by enzyme‐linked immunosorbent assay. Cartilage degradation marker CTX–II in SF was also examined.

Results

SF but not serum resistin levels are positively associated with Noyes scores, K‐L grading scores WOMAC pain scores, physical functional scores and WOMAC total scores. In addition, SF resistin correlated positively with CTX‐II.

Conclusion

Resistin in SF might serve as a potential biomarker for reflecting the disease severity and cartilage degenerative extent of knee OA.
Diffusion weighted imaging for the differentiation of breast tumors: From apparent diffusion coefficient to high order diffusion tensor imaging
Authors: Teruel Jose R. , Goa Pål E. , Sjøbakk Torill E. , Østlie Agnes , Fjøsne Hans E. , Bathen Tone F.
Published: October 2015

Background

To compare “standard” diffusion weighted imaging, and diffusion tensor imaging (DTI) of 2nd and 4th‐order for the differentiation of malignant and benign breast lesions.

Methods

Seventy‐one patients were imaged at 3 Tesla with a 16‐channel breast coil. A diffusion weighted MRI sequence including b = 0 and b = 700 in 30 directions was obtained for all patients. The image data were fitted to three different diffusion models: isotropic model – apparent diffusion coefficient (ADC), 2nd‐order tensor model (the standard model used for DTI) and a 4th‐order tensor model, with increased degrees of freedom to describe anisotropy. The ability of the fitted parameters in the different models to differentiate between malignant and benign tumors was analyzed.

Results

Seventy‐two breast lesions were analyzed, out of which 38 corresponded to malignant and 34 to benign tumors. ADC (using any model) presented the highest discriminative ability of malignant from benign tumors with a receiver operating characteristic area under the curve (AUC) of 0.968, and sensitivity and specificity of 94.1% and 94.7% respectively for a 1.33 × 10−3 mm2/s cutoff. Anisotropy measurements presented high statistical significance between malignant and benign tumors (P < 0.001), but with lower discriminative ability of malignant from benign tumors than ADC (AUC of 0.896 and 0.897 for fractional anisotropy and generalized anisotropy respectively). Statistical significant difference was found between generalized anisotropy and fractional anisotropy for cancers (P < 0.001) but not for benign lesions (P = 0.87).

Conclusion

While anisotropy parameters have the potential to provide additional value for breast applications as demonstrated in this study, ADC exhibited the highest differentiation power between malignant and benign breast tumors. J. Magn. Reson. Imaging 2016;43:1111–1121.
Measles in Italy: Co‐circulation of B3 variants during 2014
Authors: Magurano Fabio , Baggieri Melissa , Bordi Licia , Lalle Eleonora , Chironna Maria , Lazzarotto Tiziana , Amendola Antonella , Baldanti Fausto , Ansaldi Filippo , Filia Antonietta , Declich Silvia , Iannazzo Stefania , Pompa Maria Grazia , Bucci Paola , Marchi Antonella , Nicoletti Loredana
Published: October 2015

In 2013, the majority of the WHO/EUR countries reported an annual incidence of >1 case per one million population indicating that the elimination target is far from being met. Thus, there is the urgent need to uncover and analyze chains of measles virus (MV) transmission with the objective to identify vulnerable groups and avoid possible routes of introduction of MV variants in the European population. The analysis of molecular epidemiology of MV B3 strains identified in 2014 has shown that four different variants co‐circulated in Italy, including the strain that caused a cruise‐line ship outbreak at the beginning of the year. J. Med. Virol. 88:1081–1085, 2016. © 2015 Wiley Periodicals, Inc.
The use of boron isotopes to evaluate boron uptake by rape grown in acid soil treated with boron containing goethite
Authors: He Jun , Cui Jingzhen , Zhu Duanwei , Zhou Wenbing , Liao Shuijiao , Geng Mingjian
Published: October 2015

Boron (B), taken up by plants, comes mainly from boron adsorbed by soil constituents, in particular by metal hydrous oxides, organic matter, and edges of clay minerals. The extent and availability of B adsorbed or occluded by soil minerals is unknown due to the lack of a methodology for probing activity of this type of boron. In this study, 10B labeled boron‐containing goethites, i.e., goethite with adsorbed B (ad‐B‐goethite) and occluded B (oc‐B‐goethite), were added individually to an Ultisol for pot experiments to probe soil B bioavailability. The fraction of soil B extracted from B‐containing goethite showed a sigmoidal extraction pattern similar to that of B adsorbed on soil minerals. The rape seedling uptake of B from ad‐B‐goethite treatment of soil was close to that from soil background (50%), while that from oc‐B‐goethite treatment of soil was about 66%. The B absorbed from both B‐containing goethite and soil was mainly accumulated in the shoot; less than a tenth of the B was accumulated in the root. In summary, the behavior of B in B‐containing goethite was generally similar to that of soil B, indicating that B containing goethite can be used to probe migration of B from soil to plant.
Antioxidant, immunomodulatory and antiproliferative effects of gelatin hydrolysate from unicorn leatherjacket skin
Authors: Karnjanapratum Supatra , O'Callaghan Yvonne C , Benjakul Soottawat , O'Brien Nora
Published: October 2015

BACKGROUND

The in vitro cellular bioactivities including, antioxidant, immunomodulatory and antiproliferative effects of a gelatin hydrolysate (GH) prepared from unicorn leatherjacket skin, using partially purified glycyl endopeptidase, were investigated in order to optimize the use of fish skin waste products as functional food ingredients.

RESULTS

GH under the tested concentrations (750–1500 µg mL−1) protected against H2O2‐induced DNA damage in U937 cells. GH also protected against the H2O2‐induced reduction in cellular antioxidant enzyme activities, superoxide dismutase and catalase, in HepG2 cells. GH demonstrated immunomodulatory potential by reducing pro‐inflammatory cytokine (interleukin‐6 (IL‐6) and IL‐1β) production and nitric oxide production in lipopolysaccharide‐stimulated RAW 264.7 macrophage cells. Cell proliferation in human colon cancer (Caco‐2) cells was significantly reduced in a dose‐dependent manner following incubation with GH.

CONCLUSION

These results indicate that GH has several bioactivities which support its potential as a promising functional food ingredient with various health benefits. © 2015 Society of Chemical Industry
Prognostic impact of extra‐nodal extension in thyroid cancer: A meta‐analysis
Authors: Veronese Nicola , Luchini Claudio , Nottegar Alessia , Kaneko Takuma , Sergi Giuseppe , Manzato Enzo , Solmi Marco , Scarpa Aldo
Published: October 2015

Background and Objectives

Lymph node involvement is common in thyroid cancer, but the system of staging does not consider the histological features of lymph node metastases. We conducted a meta‐analysis to investigate the prognostic role of extranodal extension (ENE) in thyroid cancer patients.

Methods

We ran PubMed and SCOPUS searches without language restrictions. Prospective studies reporting data on overall mortality, cancer‐specific mortality, or disease recurrence including thyroid cancer patients, in which cases with ENE (ENE+) were compared with those with only intranodal disease (ENE−) were eligible. Data were summarized using risk ratios (RR) for number of deaths/recurrences, and hazard ratios (HR) for time‐dependent risks related to ENE+ status, adjusted for potential confounders.

Results

Of 414 hits, 23 studies were eligible and included. Compared to ENE−, patients who were ENE+ had significantly higher rates of all‐cause mortality (studies = 8; RR = 3.25; 95%CI: 1.35–2.64, I2 = 83%) and recurrence (studies = 17; RR = 2.64, 95%CI: 1.93–3.60, I2 = 73%). Using HRs adjusted for potential confounders, ENE+ status carried a significantly higher risk of all‐cause and cancer‐specific mortality and disease recurrence.

Conclusion

It becomes mandatory to consider ENE in the histopathological examination of surgical samples in thyroid cancer patients, and this factor should be included in future oncological staging systems. J. Surg. Oncol. 2015;112:828–833. © 2015 Wiley Periodicals, Inc.
Molt migration and migratory connectivity of the long‐billed dowitcher
Authors: Barbaree Blake A. , Reiter Matthew E. , Hickey Catherine M. , Page Gary W.
Published: October 2015

Effective conservation of migratory shorebirds requires information on their stopover ecology and migratory connectivity in areas such as the Great Basin and interior California, USA, where freshwater is highly managed and maintenance of wetland networks requires planning across multiple regions. We captured long‐billed dowitchers (Limnodromus scolopaceus; hereafter dowitchers) to study their molt patterns and length of stay in the Klamath Basin during fall migration and their migratory connectivity and over‐winter space use in California's Central Valley. Most dowitchers were in active primary molt when captured (83%, n = 116), and molt stage increased during August and September. Radio‐tagged dowitchers had an average length of stay after capture of 31.9 days (n = 54). After departing the Klamath Basin, we located 57% of 81 radio‐tagged dowitchers in the Central Valley from December to February; most of the 228 detections occurred in the Sacramento Valley (39%) or Grasslands Ecological Area in the San Joaquin Basin (47%). Space use by radio‐tagged dowitchers differed among the Sacramento Valley, San Joaquin Basin, and Sacramento‐San Joaquin Delta sub‐regions, which demonstrated the influence of varying amounts and distributions of habitat. We recommend that managers in the Klamath Basin provide shallow‐water wetlands to support migrant dowitchers for ≥30 days beginning around 1 August, but ideally wetlands should be maintained until 30 September if freshwater supplies are available. We also recommend coordinated management of shallow‐water wetlands within and between the Klamath Basin and Central Valley to optimize the use of freshwater, a limited and unreliable resource. © 2015 The Wildlife Society.
A quantitative blueness index for oligotrophic waters: Application to Lake Tahoe, California–Nevada
Authors: Watanabe Shohei , Vincent Warwick F. , Reuter John , Hook Simon J. , Schladow S. Geoffrey
Published: October 2015

The perceived blue color of a lake often contributes to its aesthetic appeal, and changes in blueness can be indicative of major shifts in water quality. We developed a quantitative blue water index (Bw) for natural waters, and used it to evaluate spatial and seasonal variations in ultraoligotrophic Lake Tahoe, where clarity and blueness are of ecological and economic value and a focus for lake management strategies. Spectral reflectance was measured using a profiling hyperspectral radiometer, and the values were converted to the axis values of a color space: the International Commission on Illumination L*a*b*, where L* is the lightness of color, a* ranges from green to magenta, and b* ranges from blue to yellow. The blue water index Bw, defined as negative b*, was similarly high at two offshore monitoring sites in Lake Tahoe, but much lower in a semienclosed bay and a small adjacent lake. Seasonal variations of Bw were determined using a hyperspectral radiometer attached to a buoy in the middle of Lake Tahoe. The Bw values were highest in summer, and there was a strong inverse correlation between Bw and phytoplankton concentrations as measured by in vivo chlorophyll a fluorescence. However, there was no significant correlation between Bw and Secchi depth. Blueness and visual clarity are complementary measures of the perceived optical state of natural waters, and for many lakes may provide a powerful combination of indicators for conveying water quality to the public.
Comparative Analysis of QSAR‐based vs. Chemical Similarity Based Predictors of GPCRs Binding Affinity
Authors: Luo Man , Wang Xiang S. , Tropsha Alexander
Published: October 2015

Ligand based virtual screening (LBVS) approaches could be broadly divided into those relying on chemical similarity searches and those employing Quantitative Structure‐Activity Relationship (QSAR) models. We have compared the predictive power of these approaches using some datasets of compounds tested against several G‐Protein Coupled Receptors (GPCRs). The k‐Nearest Neighbors (kNN) QSAR models were built for known ligands of each GPCR target independently, with a fraction of tested ligands for each target set aside as a validation set. The prediction accuracies of QSAR models for making active/inactive calls for compounds in both training and validation sets were compared to those achieved by the Prediction of Activity Spectra for Substances’ (PASS) and the Similarity Ensemble Approach (SEA) tools both available online. Models developed with the kNN QSAR method showed the highest predictive power for almost all tested GPCR datasets. The PASS software, which incorporates multiple end‐point specific QSAR models demonstrated a moderate predictive power, while SEA, a chemical similarity based approach, had the lowest prediction power. Our studies suggest that when sufficient amount of data is available to develop and rigorously validate QSAR models such models should be chosen as the preferred virtual screening tool in ligand‐based computational drug discovery as compared to chemical similarity based approaches.
A new stabilized finite element method for advection‐diffusion‐reaction equations
Authors: Duan Huoyuan , Qiu Fengjuan
Published: October 2015

In this article, a new stabilized finite element method is proposed and analyzed for advection‐diffusion‐reaction equations. The key feature is that both the mesh‐dependent Péclet number and the mesh‐dependent Damköhler number are reasonably incorporated into the newly designed stabilization parameter. The error estimates are established, where, up to the regularity‐norm of the exact solution, the explicit‐dependence of the diffusivity, advection, reaction, and mesh size (or the dependence of the mesh‐dependent Péclet number and the mesh‐dependent Damköhler number) is revealed. Such dependence in the error bounds provides a mathematical justification on the effectiveness of the proposed method for any values of diffusivity, advection, dissipative reaction, and mesh size. Numerical results are presented to illustrate the performance of the method. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 616–645, 2016
Concept and demonstration of an intermediate band tandem device for solar energy conversion
Authors: Sippel Philipp , Heitz Simon , Elagin Mikaela , Semtsiv Mykhaylo P. , Eichberger Rainer , Masselink W. Ted , Hannappel Thomas , Schwarzburg Klaus
Published: October 2015

We have realized a tandem solar cell design that combines a pin‐junction with a photovoltaic intersubband absorber. This concept allows harvesting light in the visible range and the near‐ and mid‐infrared at the same time, and theoretically, energy conversion efficiencies beyond the Shockley–Queisser‐limit could be achieved. A test structure was grown, and the operation of this concept could be confirmed, in principal with an optical two‐beam experiment. The basic characteristics of the device can be explained with an equivalent circuit design that consists of three individual cells, and we find an obvious analogy to the concept of the intermediate band solar cell with noteworthy advantages at some points. Our results show, that for a working device it is crucial to adjust the properties of the photovoltaic intersubband absorber for optimal charge separating performance at the working point of the solar cell. Copyright © 2015 John Wiley & Sons, Ltd.
Petro‐based and bio‐based plasticizers: Chemical structures to plasticizing properties
Authors: Bocqué Maëva , Voirin Coline , Lapinte Vincent , Caillol Sylvain , Robin Jean‐Jacques
Published: October 2015

Polymeric materials, in particular PVC, can find various industrial utilizations thanks to the use of plasticizers added during their processing. The most famous applications include wires and cables, coatings, flooring, paintings, packaging… After some generalities concerning plasticization theories and the description of plasticized petro‐ and bio‐based polymers, this review details the well‐known different petro‐based plasticizers and more particularly phthalates which represent the most important category of PVC plasticizers. Owing to migration problems, impact on the human health and the environment, alternative candidates have been developed by researchers. Renewable resources and their wastes offer a large platform for the design of bio‐based plasticizers using polysaccharidic or lipidic structures. In an in‐depth analysis, the bio‐based plasticizer structures, their groups and substituents (ester groups, alkyl chains, aromatic rings…) are gathered and examined in order to be able to predict their plasticizing efficiency and design new molecular and macromolecular plasticizers from natural resources. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 11–33
Design and synthesis of 9,9‐dioctyl‐9H‐fluorene based electrochromic polymers
Authors: Jiang Qinglin , Zhen Shijie , Mo Daize , Lin Kaiwen , Ming Shouli , Wang Zhipeng , Liu Congcong , Xu Jingkun , Yao Yuanyuan , Duan Xuemin , Zhu Danhua , Shi Hui
Published: October 2015

Two novel heterocycle‐fluorene‐heterocycle monomers, 2,2′‐(9,9‐dioctyl‐9H‐fluorene‐2,7‐diyl)dithiophene (Th‐F‐Th) and 5,5′‐(9,9‐dioctyl‐9H‐fluorene‐2,7‐diyl)bis(2,3‐dihydrothieno[3,4‐b][1,4]dioxine) (EDOT‐F‐EDOT), were synthesized via Stille coupling reaction and electropolymerized to form corresponding polymers P(Th‐F‐Th) and P(EDOT‐F‐EDOT). Furthermore, the optoelectronic properties of the obtained monomers and polymers were explored using cyclic voltammetry (CV), UV–vis, and emission spectra and in situ spectroelectrochemical techniques. The band gap values of monomers calculated by DFT were 3.75 eV for EDOT‐F‐EDOT and 4.03 eV for Th‐F‐Th, while that of P(EDOT‐F‐EDOT) and P(Th‐F‐Th) were brought down to 1.70 and 2.10 eV, respectively. Both polymers exhibited excellent redox activity and electrochromic performance. P(EDOT‐F‐EDOT) exhibited a maximum optical contrast of 25.8% at 500 nm in visible region with a response time of 1.2 s. In addition, the coloration efficiency of P(EDOT‐F‐EDOT) was calculated to be 220 cm2 C−1. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 325–334
Low thresholds for a nonconventional polymer blend—Amplified spontaneous emission and lasing in F81−x:SYx system
Authors: Hassan Muhammad Umair , Liu Yee‐Chen , Butt Haider , Hasan Kamran ul , Chang Jui‐Fen , Olawoyin Ayooye Abigael , Friend Richard Henry
Published: October 2015

A mixture of two polymer materials, poly (9,9‐dioctylfluorene) (F8), and one of the poly(para‐phenylenevinylene) derivatives, superyellow (SY) have been used to make F81−x:SYx polymer blend system. Under a 3–5 ns pulsed‐laser excitation, this system showed excellent optical properties with low threshold values of ≈14 µJ/cm2 and ≈8 µJ/cm2 for amplified spontaneous emission and optically pumped lasing, respectively. The proposed system was also electroluminescent and an interesting candidate for future research on polymer injection lasers. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016, 54, 15–21
Solar signals in CMIP‐5 simulations: effects of atmosphere–ocean coupling
Authors: Misios S. , Mitchell D. M. , Gray L. J. , Tourpali K. , Matthes K. , Hood L. , Schmidt H. , Chiodo G. , Thiéblemont R. , Rozanov E. , Krivolutsky A.
Published: October 2015

The surface response to the 11 year solar cycle is assessed in ensemble simulations of the twentieth century climate performed in the framework of the fifth phase of the Coupled Model Inter‐Comparison Project (CMIP5). A lead/lag multiple linear regression analysis identifies a multi‐model mean (MMM) global mean surface warming of about 0.07 K, lagging the solar cycle by 1–2 years on average. The anomalous warming penetrates to approximately the first 80–100 m depth in the ocean. Solar signals in the troposphere show a similar time lag of 1–2 years and the strongest MMM warming is simulated in the Tropics above 300 hPa. At the surface, the MMM response in a subset of models that show statistically significant global mean warming (CMIP5‐SIG95) is characterized by an anomalous warming in the west equatorial Pacific Ocean and the Arctic, at 1–2 years after solar maximum. The Arctic warming is twice as strong as the global mean response and appears in the winter months only. The surface warming in the equatorial Pacific Ocean is related to dynamical/thermodynamical processes. Different increase rates of global mean precipitation and atmospheric water vapour in response to a warmer surface lead to a weaker Walker circulation and anomalous westerly winds over the equatorial Pacific in the years following the solar maximum. Owing to atmosphere–ocean coupling, the anomalous westerly winds cool the subsurface and warm the surface in the western equatorial Pacific by ∼0.14 K. The CMIP5‐SIG95 MMM surface warming in the equatorial Pacific and Arctic is weak but qualitatively similar compared with solar signals in the HadCRUT4 dataset.
The development of upper‐tropospheric geopotential height anomaly in the Western Hemisphere during MJO convective initiations
Authors: Sakaeda Naoko , Roundy Paul E.
Published: October 2015

This study uses geopotential height budget and composite analysis of reanalysis data to examine the driving dynamics and structural evolution of intraseasonal upper‐tropospheric circulation over the Western Hemisphere (WH) prior to and during the convective initiation of the Madden–Julian Oscillation (MJO) over the Indian basin. Previous studies by the authors showed that, during most of MJO convective initiation events over the Indian basin, upper‐tropospheric equatorial easterly wind anomaly initially develops in association with subtropical and midlatitude Rossby ridges over the east Pacific basin. As the easterly wind continues to amplify and propagate farther eastward, a negative upper‐tropospheric geopotential height anomaly develops over tropical South America and couples with the easterly wind anomaly, forming a structure consistent with theoretical Kelvin waves. This study shows that the development of the negative geopotential height anomaly over South America is driven by net tropospheric adiabatic cooling induced by updraughts. The convection associated with the updraughts is triggered by the intrusion of a midlatitude wave train from the Southern Hemisphere, suggesting that the interaction with midlatitude circulation is a part of the dynamics driving the formation of upper‐tropospheric Kelvin wave structure over the WH.

During some MJO convective initiation events, the upper‐tropospheric zonal wind anomaly is positive over the east Pacific basin and the formation of Kelvin wave structure is weak or absent over South America. Those events subsequently develop weaker MJO convective envelopes over the Indian basin, apparently due to the absence of upper‐tropospheric divergence induced by the incoming Kelvin wave circulation that enhances convective updraughts over the region of initiating convection. The results suggest that the formation of the upper‐tropospheric Kelvin wave over the WH partly determines the subsequent development of MJO convection over the Indian basin.
Direct ab‐initio molecular dynamics study on the radiation effects on catalytic triad composed of Ser‐His‐Glu residues
Authors: Tachikawa Hiroto , Kawabata Hiroshi
Published: October 2015

High energy irradiation to the hydrogen bonded system is important in relevance with the initial process of DNA and enzyme damages. In the present study, the effects of radiation to catalytic triad have been investigated by means of direct ab‐initio molecular dynamics (AIMD) calculation. As a model of the catalytic triad, Ser‐His‐Glu residue, which is one of the important enzymes in the acylation reaction, was examined. The ionization and electron attachment processes in Ser‐His‐Glu were investigated as the radiation effects. The direct AIMD calculation showed that a proton of His is spontaneously transferred to carbonyl oxygen of Glu after the ionization. However, the whole structure of catalytic triad was essentially kept after the ionization. On the other hand, in the case of the electron capture in the model catalytic triad Ser‐His‐Glu, the dissociation of Glu residue from [Ser‐His]− was found as a product channel. The mechanism of ionization and electron capture process in the catalytic triad was discussed on the basis of theoretical results. © 2015 Wiley Periodicals, Inc.
The effect of fluphenazine decanoate on glucocorticoid production, reproductive cyclicity, and the behavioral stress response in the Persian onager (Equus hemionus onager)
Authors: Wagman Jason D. , Wolfe Barbara A. , Schook Mandi W.
Published: October 2015

Artificial insemination, performed to maximize genetic diversity in populations of zoo‐housed animals, requires intensive management and has been associated with low success rates in fractious species. In these species, stressors, such as frequent handling, may impact fertility. Long‐acting neuroleptic pharmaceuticals (LANs) can attenuate the stress response to handling, but may also disrupt ovulation in some species, compromising their use for artificial insemination. Therefore, the goal of this study was to determine whether LANs may be used to mitigate stress during reproductive management in wild equids without inhibiting ovulation. Six female Persian onagers (Equus hemionus onager) were treated with fluphenazine decanoate (FD; 0.1 mg/kg IM) or saline control in a random crossover design study. Urinary cortisol, progesterone, estrogen metabolites and behavior were monitored, and follicular dynamics were examined using ultrasonography until ovulation. Onagers demonstrated significantly lower cortisol concentrations (P = 0.03) when treated with FD (6.61 ± 3.26 ng/mg creatinine) compared to saline (9.73 ± 3.19 ng/mg creatinine). Overall, there were no differences in peak estrogen (P = 0.51) or progesterone (P = 0.38) concentrations between the two groups, and all animals ovulated within the expected time frame following FD treatment. However, some onagers exhibited only minor reductions in cortisol secretion and one treated female demonstrated a suppressed luteal progesterone peak, indicating a possible reproductive cost to FD administration. While FD may be useful for highly fractious equids for which the stress of handling delays or inhibits ovulation, these results warrant further investigation of dosing. Zoo Biol. 34:525–534, 2015. © 2015 Wiley Periodicals, Inc.
Drivers of bacterial beta diversity in two temperate forests
Authors: Wang Xugao , Li Hui , Bezemer T. Martijn , Hao Zhanqing
Published: October 2015

Although the consequences of changes in microbial diversity have received increasing attention, our understanding of processes that drive spatial variation in microbial diversity remains limited. In this study, we sampled bacterial communities in early and late successional temperate forests in Northeast China, and used distance‐based redundancy analysis to examine how different processes influence bacterial beta diversity and phylogeny‐based beta diversity using the Bray–Curtis and UniFrac metrics, respectively. After controlling for sampling effects, bacterial beta diversity in both forests was higher than expected by chance, which indicates that the bacterial community showed strong intraspecific aggregation. Both environmental filtering and dispersal limitation contributed to bacterial beta diversity and phylogeny‐based beta diversity in the two forests. However, the relative importance of these different processes varied between the two forests. In the early successional forest, dispersal limitation played a dominant role in structuring the bacterial community, whereas the effects of environmental filtering were more important in the late successional forest. Our study revealed that bacterial beta diversity and phylogeny‐based beta diversity in forest communities from the same region are regulated by different forces and that the relative importance of different forces varies over succession.
3‐Deoxyschweinfurthin B Lowers Cholesterol Levels by Decreasing Synthesis and Increasing Export in Cultured Cancer Cell Lines
Authors: Kuder Craig H. , Weivoda Megan M. , Zhang Ying , Zhu Junjia , Neighbors Jeffrey D. , Wiemer David F. , Hohl Raymond J.
Published: October 2015

The schweinfurthins have potent antiproliferative activity in multiple glioblastoma multiforme (GBM) cell lines; however, the mechanism by which growth is impeded is not fully understood. Previously, we demonstrated that the schweinfurthins reduce the level of key isoprenoid intermediates in the cholesterol biosynthetic pathway. Herein, we describe the effects of the schweinfurthins on cholesterol homeostasis. Intracellular cholesterol levels are greatly reduced in cells incubated with 3‐deoxyschweinfurthin B (3dSB), an analog of the natural product schweinfurthin B. Decreased cholesterol levels are due to decreased cholesterol synthesis and increased cholesterol efflux; both of these cellular actions can be influenced by liver X‐receptor (LXR) activation. The effects of 3dSB on ATP‐binding cassette transporter 1 levels and other LXR targets are similar to that of 25‐hydroxycholesterol, an LXR agonist. Unlike 25‐hydroxycholesterol, 3dSB does not act as a direct agonist for LXR α or β. These data suggest that cholesterol homeostasis plays a significant role in the growth inhibitory activity of the schweinfurthins and may elucidate a mechanism that can be targeted in human cancers such as GBM.
Student-directed retrieval practice is a predictor of medical licensing examination performance
Authors: Deng Francis , Gluckstein Jeffrey A. , Larsen Douglas P.
Published: October 2015

Introduction A large body of evidence indicates that retrieval practice (test-enhanced learning) and spaced repetition increase long-term information retention. Implementation of these strategies in medical curricula is unfortunately limited. However, students may choose to apply them autonomously when preparing for high-stakes, cumulative assessments, such as the United States Medical Licensing Examination Step 1.

Methods Seventy-two medical students at one institution completed a survey concerning their use of user-generated (Anki) or commercially-available (Firecracker) flashcards intended for spaced repetition and of boards-style multiple-choice questions (MCQs). Other information collected included Step 1 score, past academic performance (Medical College Admission Test [MCAT] score, preclinical grades), and psychological factors that may have affected exam preparation or performance (feelings of depression, burnout, and test anxiety).

Results All students reported using practice MCQs (mean 3870, SD 1472). Anki and Firecracker users comprised 31 and 49 % of respondents, respectively. In a multivariate regression model, significant independent predictors of Step 1 score included MCQs completed (unstandardized beta coefficient [B] = 2.2 × 10− 3, p < 0.001), unique Anki flashcards seen (B = 5.9 × 10− 4, p = 0.024), second-year honours (B = 1.198, p = 0.002), and MCAT score (B = 1.078, p = 0.003).

Conclusions Medical students engage extensively in self-initiated retrieval practice, often with spaced repetition. These practices are associated with superior performance on a medical licensing examination and should be considered for formal support by educators.
Transcriptional analysis of the dachsous gene uncovers novel isoforms expressed during development in Drosophila
Authors: Revilla-Yates Eva , Varas Laura , Sierra Javier , Rodriguez Isabel
Published: October 2015

The Drosophila cadherin‐related protein Dachsous (Ds) plays a prominent role in planar cell polarity (PCP) and growth. The regulation of these two processes is based on the interaction between Ds and Fat proteins, generating an intracellular response required for tissue polarization and modulation of Hippo pathway activity. Here we have performed a comprehensive molecular study of the ds gene during larval development that has shown an unexpected complexity in its transcriptional regulation and revealed the expression of hitherto unsuspected transcripts. Also, knockdown of several isoforms provides new evidence on the importance of the cytoplasmic domain in the mechanism of action of Ds during development.