bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spray pyrolysis deposition and characterization of highly c‐axis oriented hexagonal ZnS nanorod crystals
Authors: Dedova Tatjana , Gromyko Inga , Krunks Malle , Mikli Valdek , Grossberg Maarja , Sildos Ilmo , Utt Kathriin , Vessart Risto , Unt Tarmo 
Published: November 2014

Here we demonstrate that highly c‐axis oriented vertically aligned hexagonal ZnS nanorod‐like crystals have been synthesized via a facile and low‐cost spray pyrolysis method. ZnS layers were grown onto soda‐lime glass (SGL), glasses covered with transparent conductive oxides (TCOs: ITO and FTO) and silicon wafer substrates using zinc chloride and thiocarbamide precursors solution and air as carrier gas. The effect of main technological parameters on formation and properties of ZnS nanorods are studied. SEM, XRD, PL and UV‐VIS were applied to characterize the ZnS layers. Dimensions of the ZnS rods are mainly controlled by the deposition temperature, precursor concentration and substrate type. For instance, rods with d = 80–100 nm and l = 450 nm were obtained using ZnCl2 with c = 0.1 mol/L; whereas rods with d = ca. 80 nm and l = 250 nm were produced from ZnCl2 with c = 0.05 mol/L on glass. According to PL study, such defects as sulphur vacancies (Vs) are present in the ZnS samples, and concentration of Vs decreases with increasing the sulphur amount in solution.According to UV‐VIS, all ZnS layers possess high optical transmittance ca. 80% in the visible spectrum region; the Eg of ZnS is 3.7 eV independent of the deposition conditions, corresponding to wurtzite ZnS. ZnS rods produced at 550 and 580 °C show high haze factor values of ca. 90% at 320–350 nm revealing high light scattering ability. Vertically aligned, uniform in size ZnS rods can be directly grown onto glass, TCO and silicon substrates.
Direct Arylation of Benzo[b]furan and Other Benzo‐Fused Heterocycles
Authors: Dao‐Huy Toan , Haider Maximilian , Glatz Fabian , Schnürch Michael , Mihovilovic Marko D. 
Published: November 2014

AbstractThe direct arylation of benzo[b]furan, benzo[b]thiophene, and indole has been studied by using aromatic bromides as the aryl source. The protocol employing common reagents and a Pd catalyst has led to the regioselective arylation of these heterocycles at the 2‐position. A range of functional groups were tolerated, providing quick access to a variety of arylated benzo‐fused heterocycles that would be accessible more elaborately using classical synthetic strategies. This is the first systematic study of the direct arylation of benzo[b]furan.
The polarising effect of female leaders: Interest in politics and perceived leadership capability after a reminder of Australia's first female prime minister
Authors: Hunt Christopher John , Gonsalkorale Karen , Zadro Lisa 
Published: November 2014

AbstractThe current study examined the impact of observing successful women being attacked on gender lines through reactions to gender‐based criticism directed towards Australia's first female Prime Minister, Julia Gillard. Australian undergraduate students completed a measure of conformity to gender norms and then read statements about either: (a) generic difficulties for leaders; or (b) statements about gender‐based difficulties experienced by Gillard. Results showed that, relative to those who read the generic article, female participants high on conformity to feminine norms displayed lower desire to be involved in politics after reading about Gillard's gender‐based difficulties, while low conformers showed greater desire to be involved in politics. For male participants, those high on conformity to masculine norms showed greater belief in their own leadership capabilities after reading about Gillard's gender‐based difficulties than when reading about generic difficulties, while low conforming men showed the opposite pattern. Implications for achieving gender equality are discussed. Copyright © 2014 John Wiley & Sons, Ltd.
Quantitative Detection for Porphyromonas gingivalis in Tooth Pocket and Saliva by Portable Electrochemical DNA Sensor Linked with PCR
Authors: Yamanaka Keiichiro , Sekine Shinichi , Uenoyama Takahiro , Wada Masahiro , Ikeuchi Tomohiko , Saito Masato , Yamaguchi Yoshinori , Tamiya Eiichi 
Published: November 2014

AbstractHere, a quantitative electrochemical analysis of periodontal bacteria in gingival crevicular fluid (GCF) and saliva by direct polymerase chain reaction (PCR) is presented. The electrochemical measurement was performed by mixing with PCR products and electrochemical indicator (bisbenzimidazole trihydrochloride). The peak current of indicator is reduced due to slower diffusion when the dye intercalates into the amplified DNA, and the degree of reduction in the peak current is correlates with the quantity of amplified DNA. Therefore, a quantitative analysis is possible by using our electrochemical method at the end point of PCR. In the GCF testing, The number of Porphyromonas gingivalis (Pg) detected by our electrochemical method at the end point of PCR were almost same compared with that were calculated by the conventional method of quantitative realtime PCR. In the saliva testing, the relationship between number of Pg in saliva and average pocket depth, and age‐dependence were also clearly observed. Since the saliva sample is obtained in a non‐invasive manner, this method is useful for the primary screening of periodontal disease. Moreover, our detection method is simple and uses a hand‐held potentiostat making it suitable for development of an on‐site periodontal diagnosis system.
Will mercury impurities impact CO2 injectivity in deep sedimentary formations? II. Mineral dissolution and precipitation
Authors: Spycher Nicolas , Oldenburg Curtis M. 
Published: November 2014

AbstractNumerical simulations of carbon dioxide (CO2) injection into a sandstone reservoir (∼2 km depth) were used to investigate the geochemical effects of trace amounts of mercury (Hg, 7 and 190 ppbV), with and without hydrogen sulfide (H2S, 200 ppm). Geochemical reaction‐path modeling shows that cinnabar precipitates as soon as the Hg‐bearing CO2 reacts with the formation. Mercury does not condense to liquid, and the net volume change from mineral dissolution and precipitation is found to be negligible. Two‐dimensional radial reactive transport simulations of CO2 injection at a rate of 14.5 kg/s (∼0.5 Mt/y) into a 400‐m‐thick formation at 106°C and 215 bar, with varying amounts of Hg and H2S, show that porosity changes only by about ±0.05% absolute (i.e., new porosity% = initial porosity% ±0.05), and that Hg readily precipitates as cinnabar in a zone mostly coinciding with the single‐phase CO2 plume. This essentially negligible porosity change is not expected to affect permeability and CO2 injectivity. The precipitation of minerals other than cinnabar dominates the evolution of porosity. Although the predicted porosity change is small, the dissolution and precipitation predicted for individual minerals is not negligible. The main reactions include the replacement of primarily Fe‐chlorite by siderite, of calcite by dolomite, and of K‐feldspar by muscovite. Chalcedony is also predicted to precipitate from the dissolution of feldspars. Except for some replacement of pyrite by ankerite when H2S is deficient, the cases with and without H2S show similar results. Experimental measurements are needed to decrease uncertainty in simulation results.
Quantifying evolutionary development using non‐model organisms: Integrating morphology, metrical frameworks, and gene expression
Authors: Wilson Laura A.B. , Werneburg Ingmar 
Published: November 2014

AbstractKeeping pace with the forward progression of evolutionary developmental studies and their trajectory toward ever‐more integrative and broad‐scale study presents a challenge for researchers from diverse disciplines. Increasing the capacity for discourse and opening opportunity to further interdisciplinary work is highly desirable, and one way that activities can be hindered is through a lack of communication between those developing new methods and those applying methods to new data sets. The goal of this special issue, which brings together contributions from a recent symposium at the 10th International Congress for Vertebrate Morphology (ICVM 10, Barcelona, July 2013) along with select additions, was to integrate methodological developments with molecular and morphological data to present a broad spectrum of avenues for investigating ontogeny in land vertebrates. A balance between methods‐focused papers and papers presenting novel data and perspectives from molecular and morphological approaches in evo‐devo was sought with the hope of promoting greater interchange between each side, and drawing attention to new opportunities for future research on non‐model organisms. J. Exp. Zool. (Mol. Dev. Evol.) 322B: 555–557, 2014. © 2014 Wiley Periodicals, Inc.
Methodologies for the study of organizational behavior processes: How to find your keys in the dark
Authors: Spector Paul E. , Meier Laurenz L. 
Published: November 2014

SummaryThe field of organizational behavior is very much concerned with process—the temporal sequence by which conditions, events, and states unfold. Such processes are implied in tests of mediation and more complex causal chains. The popular approach of analyzing data from cross‐sectional designs with complex statistics is not particularly helpful in understanding process. The optimal way to investigate process involves the proper use of a combination of qualitative and quantitative, experimental and nonexperimental methods that allow us to assess variables in a temporal sequence with appropriate lags informed by how long it takes for one step to lead to the next. Two general approaches are possible: take observations before and after each step in a process to show how a variable changes from before to after an event, or continuously monitor a variable to see how it changes as events occur. A variety of nonexperimental approaches can be used including content analysis of archival materials, direct observation, panel designs, retrospective event histories, and sequence analysis. With the quantitative approach, daily diary and experience sampling approaches can be particularly useful in studying processes that occur within‐person. Copyright © 2014 John Wiley & Sons, Ltd.
Exploring alternate states and oligomerization preferences of coiled‐coils by de novo structure modeling
Authors: Rämisch Sebastian , Lizatović Robert , André Ingemar 
Published: November 2014

ABSTRACTHomomeric coiled‐coils can self‐assemble into a wide range of structural states with different helix topologies and oligomeric states. In this study, we have combined de novo structure modeling with stability calculations to simultaneously predict structure and oligomeric states of homomeric coiled‐coils. For dimers an asymmetric modeling protocol was developed. Modeling without symmetry constraints showed that backbone asymmetry is important for the formation of parallel dimeric coiled‐coils. Collectively, our results demonstrate that high‐resolution structure of coiled‐coils, as well as parallel and antiparallel orientations of dimers and tetramers, can be accurately predicted from sequence. De novo modeling was also used to generate models of competing oligomeric states, which were used to compare stabilities and thus predict the native stoichiometry from sequence. In a benchmark set of 33 coiled‐coil sequences, forming dimers to pentamers, up to 70% of the oligomeric states could be correctly predicted. The calculations demonstrated that the free energy of helix folding could be an important factor for determining stability and oligomeric state of homomeric coiled‐coils. The computational methods developed here should be broadly applicable to studies of sequence‐structure relationships in coiled‐coils and the design of higher order assemblies with improved oligomerization specificity. Proteins 2015; 83:235–247. © 2014 Wiley Periodicals, Inc.
Spin‐restricted ensemble‐referenced Kohn–Sham method: basic principles and application to strongly correlated ground and excited states of molecules
Authors: Filatov Michael 
Published: November 2014

Ensemble density functional theory (DFT) is a novel theoretical approach that is capable of exact treatment of non‐dynamic electron correlation in the ground and excited states of many‐body fermionic systems. In contrast to ordinary DFT, ensemble DFT has not found so far a way to the repertoire of methods of modern computational chemistry, probably owing to the lack of practically affordable implementations of the theory. The spin‐restricted ensemble‐referenced Kohn–Sham (REKS) method represents perhaps the first computational scheme that makes ensemble DFT calculations feasible. The REKS method is based on the rigorous ensemble representation of the energy and the density of a strongly correlated system and provides for an accurate and consistent description of molecular systems the electronic structure of which is dominated by the non‐dynamic correlation. This includes the ground and excited states of molecules undergoing bond breaking/bond formation, the low‐spin states of biradicals and polyradicals, symmetry forbidden chemical reactions and avoided crossings of potential energy surfaces, real intersections between the energy surfaces of the ground and excited states (conical intersections), and many more. The REKS method can be employed in connection with any local, semi‐local and hybrid (global and range‐separated) functional and affords calculations of large and very large molecular systems at a moderate mean‐field cost. WIREs Comput Mol Sci 2015, 5:146–167. doi: 10.1002/wcms.1209This article is categorized under:

Structure and Mechanism > Molecular Structures
Electronic Structure Theory > Density Functional Theory
Theoretical and Physical Chemistry > Spectroscopy
Two birds, one stone? Positive mood makes products seem less useful for multiple‐goal pursuit
Authors: Pocheptsova Anastasiya , Petersen Francine Espinoza , Etkin Jordan 
Published: November 2014

AbstractNegotiating the pursuit of multiple goals often requires making difficult trade‐offs between goals. In these situations, consumers can benefit from using products that help them pursue several goals at the same time. But do consumers always prefer these multipurpose products? We propose that consumers' incidental mood state alters perceptions of products in a multiple‐goal context. Four studies demonstrate that being in a positive mood amplifies perceptions of differences between multiple conflicting goals. As a consequence, consumers are less likely to evaluate multipurpose products as being able to serve multiple distinct goals simultaneously. We conclude by discussing implications of these findings for marketers of multipurpose products.
Unilateral vocal fold paralysis: can laryngoscopy predict recovery? A prospective study
Authors: Menon J K R , Nair R M , Priyanka S 
Published: November 2014

AbstractObjective:To determine the prognostic value of laryngoscopy in predicting the recovery of unilateral vocal fold paralysis.Method:A prospective study was carried out of all patients with unilateral vocal fold paralysis without a progressive lesion or arytenoid dislocation.Results:Among the 66 candidates, 15 recovered. Patients with interarytenoid paralysis (p < 0.001) or posterolateral tilt of the arytenoid (p = 0.028) had less chance of recovery. Among 51 patients who did not recover, 25.49 per cent regained phonatory function by compensatory movement of the normal side; the rest required an intervention. Intervention requirement was significantly less for those patients who had isolated glottic level compensation. The paralysed vocal fold was at the same level in 32.35 per cent of patients, higher in 38.23 per cent and lower in 29.42 per cent. In those in whom vocal folds were in the abducted position (46.67 per cent), the affected vocal fold was at a lower position on phonation. Inter-observer reliability assessment revealed excellent to good agreement for all criteria.Conclusion:Interarytenoid paralysis and posterolateral tilt of the arytenoid were predictors of poor recovery.
CORONARY BYPASS SURGERY VERSUS PERCUTANEOUS CORONARY INTERVENTION: COST-EFFECTIVENESS IN IRAN: A STUDY IN PATIENTS WITH MULTIVESSEL CORONARY ARTERY DISEASE
Authors: Javanbakht Mehdi , Bakhsh Razieh Yazdani , Mashayekhi Atefeh , Ghaderi Hossein , Sadeghi Masoumeh 
Published: November 2014

Objectives: The aim of this study was to evaluate cost effectiveness of coronary artery bypass graft (CABG) versus percutaneous coronary intervention (PCI) with stenting from Iran society perspective.Methods: A retrospective study was carried out to estimate the annual cost and health related quality of life (HRQoL) of 109 patients who underwent coronary revascularization (PCI [n = 75] and CABG [n = 34]). A Markov model has been developed to determine the cost effectiveness of CABG compared with PCI. We used the model to calculate lifetime costs, life-years (LYs), and quality-adjusted life-years (QALYs) of each strategy. We also used probabilistic sensitivity analysis to test model robustness.Results: We found that discounted QALY lived per person in CABG versus PCI group in 5 years, 10 years, and lifetime time horizon were (3.8 ± 0.13 versus 3.88 ± 0.14), (6.4 ± 0.23 versus 6.33 ± 0.22), and (8.74 ± 0.29 versus 8.33 ± 0.27), respectively. The estimated medical cost of CABG and PCI per patient in 5 years, 10 years, and lifetime time horizon were (USD 6,819 ± 765 versus 9,011 ± 1,816), (USD 8,852 ± 1,348 versus 12,034 ± 2,375), and (USD 14,037± 4,201 versus 18,798 ± 5,821), respectively. The incremental cost-effectiveness ratio results showed CABG is a dominate alternative in 10 years and lifetime time horizon.Conclusions: This study demonstrated that despite higher initial cost and lower HRQoL, CABG is a cost-effective revascularization strategy compared with PCI for patients with multivessel coronary artery disease in long-term.
Treatment of depression in an adolescent with cardiomyopathy and arrhythmia
Authors: Tanidir Canan , Tanidir Ibrahim C. , Tuzcu Volkan 
Published: November 2014

AbstractPatients with cardiomyopathy have a higher incidence of mood and anxiety disorders, resulting in greater probability for hospitalisation and increased risk for arrhythmia and death. We report a case of a 16-year-old boy with Danon disease, Wolff–Parkinson–White syndrome, and hypertrophic cardiomyopathy, who later developed depression and significant weight loss. The patient was successfully treated for his anxiety and depression with mirtazapine without any adverse cardiac effects.
Neurogenic Shock Immediately following Posterior Lumbar Interbody Fusion: Report of Two Cases
Authors: Matsumoto Tomiya , Okuda Shinya , Haku Takamitsu , Maeda Kazuya , Maeno Takafumi , Yamashita Tomoya , Yamasaki Ryoji , Kuratsu Shigeyuki , Iwasaki Motoki 
Published: November 2014

Study Design Case report. Objective To present two cases of neurogenic shock that occurred immediately following posterior lumbar interbody fusion (PLIF) and that appeared to have been caused by the vasovagal reflex after dural injury and incarceration of the cauda equina. Case Report We present two cases of neurogenic shock that occurred immediately following PLIF. One patient had bradycardia, and the other developed cardiac arrest just after closing the surgical incision and opening the drainage tube. Cardiopulmonary resuscitation was performed immediately, and the patients recovered successfully, but they showed severe motor loss after awakening. The results of laboratory data, chest X-ray, electrocardiogram, computed tomography, and echocardiography ruled out pulmonary embolism, hemorrhagic shock, and cardiogenic shock. Although the reasons for the postoperative shock were obscure, reoperation was performed to explore the cause of paralysis. At reoperation, a cerebrospinal fluid collection and the incarceration of multiple cauda equina rootlets through a small dural tear were observed. The incarcerated cauda equina rootlets were reduced, and the dural defect was closed. In both cases, the reoperation was uneventful. From the intraoperative findings at reoperation, it was thought that the pathology was neurogenic shock via the vasovagal reflex. Conclusion Incarceration of multiple cauda equina rootlets following the accidental dural tear by suction drainage caused a sudden decrease of cerebrospinal fluid pressure and traction of the cauda equina, which may have led to the vasovagal reflex.
Changes in Cervical Sagittal Alignment after Single-Level Posterior Percutaneous Endoscopic Cervical Diskectomy
Authors: Kim Chi Heon , Shin Kyung-Hyun , Chung Chun Kee , Park Sung Bae , Kim Jung Hee 
Published: November 2014

Study Design Case series. Objective Posterior percutaneous endoscopic cervical diskectomy (PECD) can preserve the disk in patients with a foraminal disk herniation. However, progressive angulation at the operated segment is a concern, especially for patients with cervical lordosis < 10 degrees. The change in cervical lordosis after posterior PECD was analyzed. Methods Medical records were reviewed of 32 consecutive patients (22 men, 10 women; mean age, 49 ± 12 years) who had single-level foraminal soft disk herniation. The operation levels were as follows: C4–5 in 1 patient, C5–6 in 12, C6–7 in 18, and C7–T1 in 1. All patients were discharged the day after the operation, and neck motion was encouraged. All patients were followed for 30 ± 7 months (range, 24 to 46 months), and 21/32 patients (66%) had radiographs taken at 25 ± 11 months (range, 12 to 45 months). Radiologic parameters were assessed, including cervical curvature (C2–7), segmental Cobb's angle (SA), and anterior and posterior disk height (AH and PH, respectively) at the operative level. Results At the last follow-up, 29/32 patients (91%) had no or minimal pain, and 3/32 patients had occasional pain. SA, AH, and PH were not significantly changed. Cervical lordosis < 10 degrees was present in 10/21 patients preoperatively and in 3/21 patients at the last follow-up. For patients with cervical lordosis < 10 degrees, cervical curvature changed from −2.5 ± 8.0 to −11.3 ± 9.3 degrees ( p = 0.01). For patients with cervical lordosis ≥ 10 degrees, cervical curvature changed from −17.5 ± 5.8 to −19.9 ± 5.7 degrees ( p = 0.24). Conclusions Cervical curvature does not worsen after posterior PECD.
Effect of near-infrared irradiation on photoconversion of the water-soluble chlorophyll-binding protein ofChenopodium album
Authors: Takahashi Shigekazu , Uchida Akira , Nakayama Katsumi , Satoh Hiroyuki 
Published: November 2014

AbstractWe investigated the effects of near-infrared irradiation on the photoconversion of Chenopodium album water-soluble chlorophyll-binding protein (CaWSCP) in the presence of sodium hydrosulfite and found a further photoconversion from CP742 to CP763, a novel form of CaWSCP. Interestingly, one-third of the absorption peak at 668 nm was recovered in CP763, but re-irradiation under oxidative conditions eliminated the photo convertibility of CaWSCP.