bluuebunny/crossref_metadata_2025 huggingface dataset:
Energy decomposition analysis of cation–π, metal ion–lone pair, hydrogen bonded, charge‐assisted hydrogen bonded, and π–π interactions
Authors: Sharma Bhaskar , Srivastava Hemant Kumar , Gayatri Gaddamanugu , Sastry Garikapati Narahari
Published: January 2015

This study probes the nature of noncovalent interactions, such as cation–π, metal ion–lone pair (M–LP), hydrogen bonding (HB), charge‐assisted hydrogen bonding (CAHB), and π–π interactions, using energy decomposition schemes—density functional theory (DFT)–symmetry‐adapted perturbation theory and reduced variational space. Among cation–π complexes, the polarization and electrostatic components are the major contributors to the interaction energy (IE) for metal ion–π complexes, while for onium ion–π complexes (,,, and) the dispersion component is prominent. For M–LP complexes, the electrostatic component contributes more to the IE except the dicationic metal ion complexes with H2S and PH3where the polarization component dominates. Although electrostatic component dominates for the HB and CAHB complexes, dispersion is predominant in π–π complexes.Copyright © 2015 Wiley Periodicals, Inc.
Accuracy assessment of the linear Poisson–Boltzmann equation and reparametrization of the OBC generalized Born model for nucleic acids and nucleic acid–protein complexes
Authors: Fogolari Federico , Corazza Alessandra , Esposito Gennaro
Published: January 2015

The generalized Born model in the Onufriev, Bashford, and Case (Onufriev et al., Proteins: Struct Funct Genet 2004, 55, 383) implementation has emerged as one of the best compromises between accuracy and speed of computation. For simulations of nucleic acids, however, a number of issues should be addressed: (1) the generalized Born model is based on a linear model and the linearization of the reference Poisson–Boltmann equation may be questioned for highly charged systems as nucleic acids; (2) although much attention has been given to potentials, solvation forces could be much less sensitive to linearization than the potentials; and (3) the accuracy of the Onufriev–Bashford–Case (OBC) model for nucleic acids depends on fine tuning of parameters. Here, we show that the linearization of the Poisson Boltzmann equation has mild effects on computed forces, and that with optimal choice of the OBC model parameters, solvation forces, essential for molecular dynamics simulations, agree well with those computed using the reference Poisson–Boltzmann model. © 2015 Wiley Periodicals, Inc.
Single‐ended transition state finding with the growing string method
Authors: Zimmerman Paul M.
Published: January 2015

Reaction path finding and transition state (TS) searching are important tasks in computational chemistry. Methods that seek to optimize an evenly distributed set of structures to represent a chemical reaction path are known as double‐ended string methods. Such methods can be highly reliable because the endpoints of the string are fixed, which effectively lowers the dimensionality of the reaction path search. String methods, however, require that the reactant and product structures are known beforehand, which limits their ability for systematic exploration of reactive steps. In this article, a single‐ended growing string method (GSM) is introduced which allows for reaction path searches starting from a single structure. The method works by sequentially adding nodes along coordinates that drive bonds, angles, and/or torsions to a desired reactive outcome. After the string is grown and an approximate reaction path through the TS is found, string optimization commences and the exact TS is located along with the reaction path. Fast convergence of the string is achieved through use of internal coordinates and eigenvector optimization schemes combined with Hessian estimates. Comparison to the double‐ended GSM shows that single‐ended method can be even more computationally efficient than the already rapid double‐ended method. Examples, including transition metal reactivity and a systematic, automated search for unknown reactivity, demonstrate the efficacy of the new method. This automated reaction search is able to find 165 reaction paths from 333 searches for the reaction of NH3BH3 and (LiH)4, all without guidance from user intuition. © 2015 Wiley Periodicals, Inc.
Regioselective and Stereoselective Synthesis of Pyridine‐Fused Benzoxepine Derivatives by Intramolecular Reductive Heck Cyclization[1]
Authors: Mondal Shovan , Debnath Sudarshan
Published: January 2015

An efficient method for the synthesis of 6,11‐dihydro[2]benzoxepino[4,3‐b]pyridine derivatives via Pd(0) catalyzed intramolecular reductive Heck cyclization is reported. The method offers the regioselective and stereoselective synthesis of highly functionalized pyridine‐fused benzoxepine derivatives in 75–85% yields under mild conditions. Chemoselective Sonogashira coupling is utilized for the synthesis of cyclization precursors. The stereochemistry of the exocyclic double bond of 6,11‐dihydro[2]benzoxepino[4,3‐b]pyridine derivatives is confirmed from single crystal X‐ray diffraction. The absence of N–Pd(II) interaction results in a reverse stereochemistry of the exocyclic double bond of dibenzoxepine derivative.
Improved pre‐characterization method for the random walk based capacitance extraction of multi‐dielectric VLSI interconnects
Authors: Zhang Bolong , Yu Wenjian , Zhang Chao
Published: January 2015

Accurately extracting capacitances among the interconnects in modern multi‐dielectric technology of integrated circuits is a challenging task. The floating random walk (FRW) algorithm is advantageous for capacitance extraction and has been extended by W. Yu et al. to accurately handle multi‐dielectric structures with a pre‐characterization approach. In this paper, we improve this pre‐characterization approach by permitting the cubic transition domains with three or four‐dielectric layers. The techniques of pre‐characterizing and utilizing these multi‐dielectric transition cubes are proposed. Experiments on the test cases under actual manufacture technologies show that the proposed method brings 13× speedup on average, with affordable memory overhead. The experiments also validate the accuracy of the proposed method and reveal the significant error caused by the dielectric homogenization approach in a commercial FRW solver. Finally, on a machine with 12‐core CPU, the parallel FRW algorithm equipped with the proposed pre‐characterization method demonstrates more than 10× speedup of parallelization. Copyright © 2015 John Wiley & Sons, Ltd.
The alleviating trend of drought in the Huang‐Huai‐Hai Plain of China based on the dailySPEI
Authors: Wang Qianfeng , Shi Peijun , Lei Tianjie , Geng Guangpo , Liu Jinghui , Mo Xinyu , Li Xiaohan , Zhou Hongkui , Wu Jianjun
Published: January 2015

Drought is a major natural hazard that can have devastating impacts on regional agriculture, water resources and the environment. To assess the variability and pattern of drought characteristics in the Huang‐Huai‐Hai (HHH) Plain, the daily Standardized Precipitation Evapotranspiration Index (SPEI) is developed based on daily meteorological data in this study. The dailySPEIdata are used, including Annual Total Drought Severity (ATDS), Annual Total Drought Duration (ATDD) and Annual Drought Frequency (ADF), which were calculated from 1981 to 2010 at 28 meteorological stations. We used the indices (ATDS,ATDDandADF), Hovmöller diagrams and the reliable no parameter statistical methods of the Mann–Kendall test to assess the variability and pattern of drought characteristics for the period from 1981 to 2010 in theHHHplain. The results suggested that severe drought occurred in the 1980s, the late 1990s and the early 2000s, severe drought events occurred in 1981, 1986, 1997 and 2002. Decreasing trends for bothATDSandATDDwere found, and the drought situation did not worsen under global warming during the past 30 years, and the drought situation is alleviating in the entireHHHplain. The northeast and southwest regions of theHHHplain have suffered from more severe drought, and the north region is prone to drought. The results of the study can provide a scientific understanding for the adoption of countermeasures of regional defence against drought and also may serve as a reference point for drought hazard vulnerability analysis.
Synthesis of a graphene‐based nanocomposite for the dispersive solid‐phase extraction of vancomycin from biological samples
Authors: Khalilian Faezeh , Hanzaki Somayeh Amiri , Yousefi Mohammad
Published: January 2015

The approach of this work was to study the capability of graphene‐based materials in the field of biological sample preparation. A polypyrrole/graphene composite was synthesized and characterized. The potential of the nanocomposite was investigated as a sorbent in dispersive solid‐phase extraction followed by high‐performance liquid chromatography with UV detection for vancomycin as a model drug. The effect of different parameters influencing extraction efficiency such as sample pH and sample volume, ionic strength, extraction time, type, and volume of desorption solvent and desorption time were investigated. A comparison study was also conducted between polypyrrole/graphene and some different novel and classic sorbents. Under optimized conditions, the calibration curve for vancomycin showed linearity in the range of 0.05–10 μg/mL. In addition, limits of detection, and quantification were 0.003 and 0.01 μg/mL, respectively. The intraday and interday relative standard deviations at a concentration of 0.05 μg/mL (n = 3) were 1.6 and 2.1%, respectively. Furthermore, the proposed method was successfully applied for the determination of vancomycin in plasma and urine samples. The relative recoveries indicated the feasibility of graphene‐based sorbents in biological sample analysis.
Characterization of quinoa seed proteome combining different protein precipitation techniques: Improvement of knowledge of nonmodel plant proteomics
Authors: Capriotti Anna Laura , Cavaliere Chiara , Piovesana Susy , Stampachiacchiere Serena , Ventura Salvatore , Zenezini Chiozzi Riccardo , Laganà Aldo
Published: January 2015

A shotgun proteomics approach was used to characterize the quinoa seed proteome. To obtain comprehensive proteomic data from quinoa seeds three different precipitation procedures were employed: MeOH/CHCl3/double‐distilled H2O, acetone either alone or with trichloroacetic acid; the isolated proteins were then in‐solution digested and the resulting peptides were analyzed by nano‐liquid chromatography coupled to tandem mass spectrometry. However, since quinoa is a nonmodel plant species, only a few protein sequences are included in the most widely known protein sequence databases. To improve the data reliability a UniProt subdatabase, containing only proteins of Caryophillales order, was used. A total of 352 proteins were identified and evaluated both from a qualitative and quantitative point of view. This combined approach is certainly useful to increase the final number of identifications, but no particular class of proteins was extracted and identified in spite of the different chemistries and the different precipitation protocols. However, with respect to the other two procedures, from the relative quantitative analysis, based on the number of spectral counts, the trichloroacetic acid/acetone protocol was the best procedure for sample handling and quantitative protein extraction. This study could pave the way to further high‐throughput studies on Chenopodium Quinoa.
On sequentially closed subsets of the real line in
Authors: Keremedis Kyriakos
Published: January 2015

We show:

iff every countable product of sequential metric spaces (sequentially closed subsets are closed) is a sequential metric space iff every complete metric space is Cantor complete.

Every infinite subset X of has a countably infinite subset iff every infinite sequentially closed subset of includes an infinite closed subset.

The statement “ is sequential” is equivalent to each one of the following propositions:

Every sequentially closed subset A of includes a countable cofinal subset C,

for every sequentially closed subset A of , is a meager subset of ,

for every sequentially closed subset A of , ,

every sequentially closed subset of is separable,

every sequentially closed subset of is Cantor complete,

every complete subspace of is Cantor complete.
Numerical Verification of Analytical Results for Statistical Description of Polymer Chains in Nematic Systems
Authors: Walasek Janusz , Jedynak Radosław
Published: January 2015

The statistical description of a polymer chain within the nematic system of many chains is considered. The chain entropy and free energy are numerically calculated on the basis of fundamental definitions. No constraints are imposed on the elongation of the chain end‐to‐end distance, which can change from zero to a value for maximally stretched chains, or on the strength of the internal nematic interactions within the system. Obtained results are compared with those calculated by approximate formulas for varying strength of interactions and length of chains.
A slowly progressive form of limb‐girdle muscular dystrophy type 2C associated with founder mutation in the SGCG gene in Puerto Rican Hispanics
Authors: Al‐Zaidy Samiah A. , Malik Vinod , Kneile Kelley , Rosales Xiomara Q. , Gomez Ana Maria , Lewis Sarah , Hashimoto Sayaka , Gastier‐Foster Julie , Kang Peter , Darras Basil , Kunkel Louis , Carlo Jose , Sahenk Zarife , Moore Steven A. , Pyatt Robert , Mendell Jerry R.
Published: January 2015

Limb‐girdle muscular dystrophy type 2C (LGMD2C) is considered one of the severe forms of childhood‐onset muscular dystrophy. The geographical distribution of founder mutations in the SGCG gene has a prominent effect on the prevalence of LGMD2C in certain populations. The aim of this study was to confirm the hypothesis that the c.787G>A (p.E263K) mutation in the SGCG gene is a founder mutation among Puerto Rican Hispanics and to characterize the associated clinical and immunohistochemical phenotype. Genotyping of six polymorphic microsatellite markers internal to (D13S232) and flanking (D13S175, D13S292, D13S787, D13S1243, D13S283) the SGCG gene was performed on four unrelated Puerto Rican patients with LGMD2C. Preserved ambulation to the second decade of life was observed in at least two subjects. Immunostaining of skeletal muscle demonstrated absence of γ‐sarcoglycan in all affected subjects. Two markers, D13S232 and D13S292, were highly informative and confirmed that all four families share the haplotype of the mutant allele. Our findings confirm that the E263K missense mutation in the SGCG gene is a founder mutation in Puerto Rican Hispanics. A slowly progressive disease course with prolonged preservation of ambulation can be seen in association with this mutation, providing evidence for phenotypic variability.
Sensitivity analysis using anchored ANOVA expansion and high‐order moments computation
Authors: Tang Kunkun , Congedo Pietro M. , Abgrall Rémi
Published: January 2015

An anchored analysis of variance (ANOVA) method is proposed in this paper to decompose the statistical moments. Compared to the standard ANOVA with mutually orthogonal component functions, the anchored ANOVA, with an arbitrary choice of the anchor point, loses the orthogonality if employing the same measure. However, an advantage of the anchored ANOVA consists in the considerably reduced number of deterministic solver's computations, which renders the uncertainty quantification of real engineering problems much easier. Different from existing methods, the covariance decomposition of the output variance is used in this work to take account of the interactions between non‐orthogonal components, yielding an exact variance expansion and thus, with a suitable numerical integration method, provides a strategy that converges. This convergence is verified by studying academic tests. In particular, the sensitivity problem of existing methods to the choice of anchor point is analyzed via the Ishigami case, and we point out that covariance decomposition survives from this issue. Also, with a truncated anchored ANOVA expansion, numerical results prove that the proposed approach is less sensitive to the anchor point. The covariance‐based sensitivity indices (SI) are also used, compared to the variance‐based SI. Furthermore, we emphasize that the covariance decomposition can be generalized in a straightforward way to decompose higher‐order moments. For academic problems, results show the method converges to exact solution regarding both the skewness and kurtosis. Finally, the proposed method is applied on a realistic case, that is, estimating the chemical reactions uncertainties in a hypersonic flow around a space vehicle during an atmospheric reentry. Copyright © 2015 John Wiley & Sons, Ltd.
Decreased Low Back Pain Intensity and Differential Gene Expression Following Calmare®: Results From a Double‐Blinded Randomized Sham‐Controlled Study
Authors: Starkweather Angela R. , Coyne Patrick , Lyon Debra E. , Elswick R. K. , An Kyungeh , Sturgill Jamie
Published: January 2015

In this double‐blinded, randomized controlled trial we evaluated the effects of Calmare®, a non‐invasive neurocutaneous electrical pain intervention, on lower back pain intensity as measured by the “worst” pain score and on pain interference using the Brief Pain Inventory‐Short Form, on measures of pain sensitivity assessed by quantitative sensory testing, and on mRNA expression of pain sensitivity genes. Thirty participants were randomized to receive up to 10 sessions of Calmare® treatment (n = 15) or a sham treatment (n = 15) using the same device at a non‐therapeutic threshold. At 3 weeks after conclusion of treatment, compared with the sham group, the Calmare® group reported a significant decrease in the “worst” pain and interference scores. There were also significant differences in pain sensitivity and differential mRNA expression of 17 pain genes, suggesting that Calmare® can be effective in reducing pain intensity and interference in individuals with persistent low back pain by altering the mechanisms of enhanced pain sensitivity. Further study of long‐term pain outcomes, particularly functional status, analgesic use and health care utilization, is warranted. © 2015 Wiley Periodicals, Inc.
Proteomics of a conundrum: Thoughts on addressing the aetiology versus progression of multiple sclerosis
Authors: Partridge Melissa A. , Myers Simon J. , Gopinath Sumana , Coorssen Jens R.
Published: January 2015

Currently in the field of multiple sclerosis (MS) research there is an ongoing debate concerning the cause of the disease. MS is widely considered to begin with an autoimmune dysregulation. The disease does have a prominent autoimmune component however this may be representative of a secondary effect. There is growing evidence that the disease may be initiated by an underlying degeneration of oligodendrocytes. In our viewpoint, we discuss the potential differences between the aetiology and progression of MS. For the most part, proteomic analysis has focused on the autoimmune component of the disease. We suggest that proteomic analysis should be applied to investigating oligodendrocyte degeneration. We discuss the potential of the cuprizone animal model of demyelination and its usefulness in understanding oligodendrocyte degeneration. Immune suppressive therapies are effective at reducing clinical symptoms and improving quality of life. However, a cure is still lacking and as such the disease does still progress. We suggest that if the initiating cause is poorly understood, then curing MS is unlikely.
Crystal structure of (4S)‐aminoproline: conformational insight into a pH‐responsive proline derivative
Authors: Siebler Christiane , Trapp Nils , Wennemers Helma
Published: January 2015

The crystal structure of a (4S)‐configured ammoniumproline derivative is presented. The trifluoroacetic acid salt of the acetylated methylester of (4S)‐aminoproline (Ac‐(4S)Amp‐OMe) crystallized as the trans conformer with a C(4)‐endo ring pucker. The high‐resolution structure shows typical parameters for a transannular H‐bond and an n → π* interaction between the adjacent amide and ester groups. The structure corroborates previous findings of solution phase studies on the importance of these two interactions in acidic and neutral aqueous environments for the conformation of this pH‐responsive proline derivative. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.
Polarization dilution in a Ga‐polar UV‐LED to reduce the influence of polarization charges
Authors: Yasuda Toshiki , Hayashi Kento , Katsuno Syouta , Takeuchi Tetsuya , Kamiyama Satoshi , Iwaya Motoaki , Akasaki Isamu , Amano Hiroshi
Published: January 2015

We investigated the influence of polarization charges in nitride‐based semiconductors. The influence due to polarization charges was calculated excluding the influences of the band offset. We found that the polarization charges (1 × 1013 cm−2) resulted in an energy spike of more than 100 meV at the location of the charges, which is a similar value to the band offset. We then proposed the concept of polarization dilution to suppress the energy spike for better hole transport by using a graded Mg‐doped AlGaN layer in UV‐LEDs. Device simulation results indicate lower operating voltage and higher injection efficiency by using the polarization dilution. So far, our actual 350 nm LED with the polarization dilution showed lower operating voltage. These results suggested such polarization‐charge management is important in the design of the nitride semiconductors.
Team THOR's Entry in the DARPA Robotics Challenge Trials 2013
Authors: Yi Seung‐Joon , McGill Stephen G. , Vadakedathu Larry , He Qin , Ha Inyong , Han Jeakweon , Song Hyunjong , Rouleau Michael , Zhang Byoung‐Tak , Hong Dennis , Yim Mark , Lee Daniel D.
Published: January 2015

This paper describes the technical approach, hardware design, and software algorithms that have been used by Team THOR in the DARPA Robotics Challenge (DRC) Trials 2013 competition. To overcome big hurdles such as a short development time and limited budget, we focused on forming modular components—in both hardware and software—to allow for efficient and cost‐effective parallel development. The hardware of THOR‐OP (Tactical Hazardous Operations Robot–Open Platform) consists of standardized, advanced actuators and structural components. These aspects allowed for efficient maintenance, quick reconfiguration, and most importantly, a relatively low build cost. We also pursued modularity in the software, which consisted of a hybrid locomotion engine, a hierarchical arm controller, and a platform‐independent remote operator interface. These modules yielded multiple control options with different levels of autonomy to suit various situations. The flexible software architecture allowed rapid development, quick migration to hardware changes, and multiple parallel control options. These systems were validated at the DRC Trials, where THOR‐OP performed well against other robots and successfully acquired finalist status.
The Value of SAT Scores and High School Grades in the Selection of Honors Program Candidates from the Perspective of Honors Students and Graduates
Authors: Roszkowski Michael J. , Nigro Richard A.
Published: January 2015

Admission to honors programs is competitive and typically relies heavily on the applicant's high school grades and SAT scores. Research shows that of the two criteria, the stronger predictor of performance in an honors curriculum is the high school record, which would imply that grades should receive the greater emphasis. We surveyed current students (109 respondents) and the graduates (203 respondents) of an honors program at a private university to determine their views about how high school grades and SAT scores should be treated in the honors admission decision. The majority in both groups indicated stronger support for a minimum high school GPA (74% of the current students and 72% of the alumni) than for a minimum SAT (49% of the students and 43% of the alumni). Similarly, a majority (74% of students, 67% of alumni) agreed that in the admissions process, a high GPA score should be allowed to override a nonqualifying SAT score. Conversely, only a minority (36% of students, 23% of alumni) supported the proposition that a good SAT score should be permitted to override a poor high school GPA. In cases where a discrepancy exists between the two criteria, the overwhelming view (84% of the students and 90% of the alumni) was that the high school GPA should receive the greater weight.

A two‐step cluster analysis of the five items revealed the presence of two segments in both samples. The major differentiator between the two clusters was opinion about whether a high SAT score should be allowed to override a nonqualifying GPA. Since the defining feature of each cluster was whether or not good SAT scores should be allowed to override poor high school grades, we explored the relationship of opinion on this issue to motivation to enroll in an honors program and the perceived personality of the typical honors student. Surprisingly, very few of these items correlated to respondents’ position on this matter, and even the significant correlations were small in magnitude. The survey showed that irrespective of opinion about the SAT overriding GPA, honors students’ motivation to enroll in an honors program rests mainly on wanting to be with students who share both their ability and work ethic. In terms of personality, the typical honors student is viewed by honors participants themselves as someone who is more likely than the non‐honors student to be intellectually curious, highly motivated, possessing good study habits, and having a tendency to be compulsively driven to work hard. On the other hand, honors participants consider the typical honors student to be less likely than the non‐honors student to be extraverted, social, athletic, and to enjoy working in teams.
Interaction Between Deformation‐Induced and Thermal Martensite in High‐Manganese TRIP Steel
Authors: Yang Haiyan , Li Jing , Yang Ping
Published: January 2015

The interaction between deformation‐induced and thermal martensite during tensile deformation in high‐manganese transformation induced plasticity steel was studied through in situ observation and electron backscattering diffraction. The specimen, which was composed of metastable austenite, ε‐martensite, and α′‐martensite, was uniaxially stretched at room temperature at a rate of 0.1 mm min−1 by using a scanning electron microscope installed with an in situ deformation stage. The interaction under study was distinctly demonstrated by the formation means of α′‐martensite under external stress. The thermal ε‐martensite plates could hardly thicken during deformation. Deformation‐induced α′‐martensite developed in ε‐martensite in two means, namely, nucleation in the intersection of two thin ε‐martensite plates and direct growth of preexisting thermal α′‐martensite on thick ε‐martensite plates. Good content consistency was observed between thermal and deformation‐induced martensite; this result quantitatively demonstrates the significant interaction between the two.
Kososan, but not milnacipran, elicits antidepressant‐like effects in a novel psychological stress‐induced mouse model of depression
Authors: Hori Atsushi , Ito Naoki , Oikawa Tetsuro , Hanawa Toshihiko
Published: January 2015

Aim

Mild or moderate depressive symptoms are often resistant to treatment with currently available antidepressants. We constructed a novel animal model of depression induced by the exposure of mice to psychological stress and evaluated the antidepressant efficacy of kososan and milnacipran.

Methods

Depressive state was elicited in mice by repeated rat‐exposure stress over 10 days. Kososan or milnacipran were administered orally during the stress paradigm. Alterations in behavioral indices (evaluated using forced swimming test and open‐field test), cell proliferation (evaluated on bromodeoxyuridine immunohistochemistry), and orexin‐A production were evaluated.

Results

Mice exposed to psychological stress had increased immobility time on forced swimming test, and elevated serum corticosterone. Additionally, decreased bodyweight gain during the stress exposure and reduced food or water intake following the stress were observed. Although oral kososan improved the immobility time on forced swimming test without affecting the locomotor activity in open‐field test, treatment with milnacipran did not alter the immobility time. The number of cells staining positive for bromodeoxyuridine in the dentate gyrus or for orexin‐A in the lateral hypothalamic area was not affected by the stress exposure.

Conclusion

Psychological stress‐induced mouse model of depression was successfully implemented, with animals exhibiting symptoms of mild or moderate depressive state. This model differs from previous physical stress‐based models, as evidenced by bromodeoxyuridine or orexin‐A staining. Kososan, but not milnacipran, was found to elicit antidepressant‐like effects in this model.
Photoluminescence and Gas Sorption Properties of a New Zinc(II) Coordination Polymer Constructed from Biphenyl‐3,3′,5,5′‐tetracarboxylate Ligand
Authors: Zhou Pingping , Li Xiaohui , Dong Yanli
Published: January 2015

A new zinc(II) coordination polymer, namely [Zn3(Hbptc)2(e‐urea)2]n·2n(e‐urea) (1) (H4bptc = biphenyl‐3,3′,5,5′‐tetracarboxylic acid, e‐urea = ethyleneurea), was assemblied by H4bptc and Zn(NO3)2·6H2O under urothermal conditions. Single crystal X‐ray diffraction analysis reveals that compound 1 features a 3D complicated framework with 1D nanotubes, which are occupied by the coordinated and lattice e‐urea molecules. Compound 1 displays strong luminescence emission ability and high thermal stability. In addition, the gas storage properties of N2, H2, and CO2 for the desolvated framework of 1a were also investigated.
Boron Clusters with a Ferrocenylalkynyl Group Bonded to Boron: Synthesis, Characterization, and Electrochemical Trends
Authors: Schäfer Marius , Krummenacher Ivo , Braunschweig Holger , Finze Maik
Published: January 2015

The 12‐vertex closo‐boron clusters [1‐FcC≡C‐closo‐B12H11]2– (1), [12‐FcC≡C‐closo‐1‐CB11H11]– (2), [1‐H2N‐12‐FcC≡C‐closo‐1‐CB11H10]– (3), and [9‐FcC≡C‐closo‐1, 2‐C2B10H11] (5) were synthesized from the corresponding iodinated derivatives and Me3SiC≡CMgBr by a Pd‐catalyzed Kumada‐type cross‐coupling reaction. Anion 3 was converted into the inner salt [1‐Me3N‐12‐FcC≡C‐closo‐1‐CB11H10] (4). The nido‐derivative [5‐FcC≡C‐nido‐7, 8‐C2B9H11]– (6) was obtained from 5 via a deboronation reaction. The tetraethylammonium salts of the anions 2, 3, and 6 as well as compound 5 were characterized by single‐crystal X‐ray diffraction. The redox properties of the ferrocenylalkynyl‐substituted derivatives 1–6 were studied by cyclic voltammetry. An increasing negative charge of the cluster fragment results in a shift of the redox potential of the ferrocene moiety to more negative values. The experimental studies are supported by density functional calculations (DFT).
Resilience in Community: A Social Ecological Development Model for Young Adult Sexual Minority Women
Authors: Zimmerman Lindsey , Darnell Doyanne A. , Rhew Isaac C. , Lee Christine M. , Kaysen Debra
Published: January 2015

Family support and rejection are associated with health outcomes among sexual minority women (SMW). We examined a social ecological development model among young adult SMW, testing whether identity risk factors or outness to family interacted with family rejection to predict community connectedness and collective self‐esteem. Lesbian and bisexual women (N = 843; 57 % bisexual) between the ages of 18–25 (M = 21.4; SD = 2.1) completed baseline and 12‐month online surveys. The sample identified as White (54.2 %), multiple racial backgrounds (16.6 %), African American (9.6 %) and Asian/Asian American (3.1 %); 10.2 % endorsed a Hispanic/Latina ethnicity. Rejection ranged from 18 to 41 % across family relationships. Longitudinal regression indicated that when outness to family increased, SMW in highly rejecting families demonstrated resilience by finding connections and esteem in sexual minority communities to a greater extent than did non‐rejected peers. But, when stigma concerns, concealment motivation, and other identity risk factors increased over the year, high family rejection did not impact community connectedness and SMW reported lower collective self‐esteem. Racial minority SMW reported lower community connectedness, but not lower collective self‐esteem. Families likely buffer or exacerbate societal risks for ill health. Findings highlight the protective role of LGBTQ communities and normative resilience among SMW and their families.
Observation of O2:CO2 exchange ratio for net turbulent fluxes and its application to forest carbon cycles
Authors: Ishidoya Shigeyuki , Murayama Shohei , Kondo Hiroaki , Saigusa Nobuko , Kishimoto‐Mo Ayaka W. , Yamamoto Susumu
Published: January 2015

An average O2:CO2 exchange ratio for net turbulent O2 and CO2 fluxes in a cool temperate deciduous forest in central Japan was obtained based on an aerodynamic method using continuous measurements of atmospheric O2/N2 ratio and CO2 concentration. The average daily mean O2:CO2 exchange ratio was 0.86 during summer, 2013, a value significantly lower than the 1.1 used as a globally averaged terrestrial biospheric O2:CO2 exchange ratio in a CO2 budget analysis. Using the value of 0.86, along with the O2:CO2 exchange ratio of 1.11 for the ecosystem respiration (RE) and 1.00 for the gross primary production (GPP), the net ecosystem production (NEP) measured with an eddy covariance method was separated into GPP and RE using a one‐box canopy O2/CO2 budget model. The estimated average daily‐mean GPP and RE values were consistent, within estimation errors, with those estimated from an empirical function of air temperature; the RE values were also comparable to the soil CO2 efflux observed using an open‐flow soil chamber method. These results suggest that the simultaneous observation of O2 and CO2 concentrations in a forest has potential as a new tool to evaluate the forest CO2 budget.
Legal Recognition of Same-Sex Couples and Family Formation
Authors: Trandafir Mircea
Published: January 2015

It has long been debated how legalizing same-sex marriage would affect (different-sex) family formation. In this article, I use data on OECD member countries for the period 1980–2009 to examine the effects of the legal recognition of same-sex couples (through marriage or an alternative institution) on different-sex marriage, divorce, and extramarital births. Estimates from difference-in-difference models indicate that the introduction of same-sex marriage or of alternative institutions has no negative effects on family formation. These findings are robust to a multitude of specification checks, including the construction of counterfactuals using the synthetic control method. In addition, the country-by-country case studies provide evidence of homogeneity of the estimated effects.
The impact of men's magazines on adolescent boys' objectification and courtship beliefs
Authors: Ward L. Monique , Vandenbosch Laura , Eggermont Steven
Published: January 2015

Although much attention concerning the potential impact of sexualized media has focused on girls and women, less is known about how this content effects boys' perceptions of women and courtship. Accordingly, the current three‐wave panel study investigated whether exposure to sexualizing magazines predicts adolescent boys' (N = 592) sexually objectifying notions of women and their beliefs about feminine courtship strategies. The results indicated that when boys consumed sexualizing magazines more often, they expressed more gender‐stereotypical beliefs about feminine courtship strategies over time. This association was mediated by boys' objectification of women. The possibility of a reciprocal relation whereby beliefs about courtship strategies predict future consumption of sexualizing magazines was also explored but received no support. Discussion focuses on effects of sexualizing media on boys, and supports future research to build on multidisciplinary knowledge.
Vocal learning, prosody, and basal ganglia: Don't underestimate their complexity
Authors: Ravignani Andrea , Martins Mauricio , Fitch W. Tecumseh
Published: January 2015

Ackermann et al.'s arguments in the target article need sharpening and rethinking at both mechanistic and evolutionary levels. First, the authors' evolutionary arguments are inconsistent with recent evidence concerning nonhuman animal rhythmic abilities. Second, prosodic intonation conveys much more complex linguistic information than mere emotional expression. Finally, human adults' basal ganglia have a considerably wider role in speech modulation than Ackermann et al. surmise.
Shifted powers in binary recurrence sequences
Authors: BENNETT MICHAEL A. , DAHMEN SANDER R. , MIGNOTTE MAURICE , SIKSEK SAMIR
Published: January 2015

Let {uk} be a Lucas sequence. A standard technique for determining the perfect powers in the sequence {uk} combines bounds coming from linear forms in logarithms with local information obtained via Frey curves and modularity. The key to this approach is the fact that the equation uk = xn can be translated into a ternary equation of the form ay2 = bx2n + c (with a, b, c ∈ ℤ) for which Frey curves are available. In this paper we consider shifted powers in Lucas sequences, and consequently equations of the form uk = xn+c which do not typically correspond to ternary equations with rational unknowns. However, they do, under certain hypotheses, lead to ternary equations with unknowns in totally real fields, allowing us to employ Frey curves over those fields instead of Frey curves defined over ℚ. We illustrate this approach by showing that the quaternary Diophantine equation x2n±6xn + 1 = 8y2 has no solutions in positive integers x, y, n with x, n > 1.
A norovirus oyster-related outbreak in a nursing home in France, January 2012
Authors: LOURY P. , LE GUYADER F. S. , LE SAUX J. C. , AMBERT-BALAY K. , PARROT P. , HUBERT B.
Published: January 2015

The presence of norovirus in shellfish is a public health concern in Europe. Here, we report the results of an investigation into a norovirus gastroenteritis outbreak following a festive lunch which affected 84 (57%) residents and staff members of a nursing home in January 2012 in France. Individuals who had eaten oysters had a significantly higher risk of developing symptoms in the following 2·5 days than those who had not, the risk increasing with the amount eaten [relative risk 2·2 (1·0–4·6) and 3·3 (1·6–6·6) for 3–4 and 5–12 oysters, respectively]. In healthy individuals during those days, 29 (32%) subsequently became ill, most of whom were staff members performing activities in close contact with residents. Genogroup II noroviruses were detected in faecal samples, in a sample of uneaten oysters and in oysters from the production area. Identifying a norovirus's infectious dose may facilitate the health-related management of contaminated shellfish.
A construction grammar analysis of the transitivebeperfect in present-day Canadian English
Authors: YERASTOV YURI
Published: January 2015

This article offers a syntactic analysis of the construction [be doneNP], e.g.I am done dinner, I am finished my homework, as found in Canadian English and some US dialects. After situating this construction in the context of a productive transitivebeperfect in Scots/English dialects, [be doneNP] will be distinguished from a set of its conceptual and structural relatives, and ultimately be shown not to be reducible to a surface realization of another underlying structure. From the perspective of syntactic theory, the article problematizes the parsimony of the mainstream generative approach (most recently in MacFadden & Alexiadou 2010) in accounting for the facts of [be doneNP] on strictly compositional grounds, as well as the mainstream view of lexical items as projecting theta grids and subcategorization frames (as e.g. in Grimshaw 1979; Emonds 2000). Following Fillmoreet al.(1988), Goldberg (1995, 2005) and others, what will be suggested instead is a construction grammar approach to [be doneNP], under which a construction holistically licenses its argument structure. Along these lines [be doneNP] will be characterized as an abstract construction with some fixed material.
MAVEN unlocks secrets of the Martian atmosphere
Authors: Leifert Harvey
Published: January 2015

In its first month, NASA’s orbiter saw effects of the solar wind at low altitude and tracked a plume of gases escaping into space
Disrupted autophagy after spinal cord injury is associated with ER stress and neuronal cell death
Authors: Liu S , Sarkar C , Dinizo M , Faden A I , Koh E Y , Lipinski M M , Wu J
Published: January 2015

Autophagy is a catabolic mechanism facilitating degradation of cytoplasmic proteins and organelles in a lysosome-dependent manner. Autophagy flux is necessary for normal neuronal homeostasis and its dysfunction contributes to neuronal cell death in several neurodegenerative diseases. Elevated autophagy has been reported after spinal cord injury (SCI); however, its mechanism, cell type specificity and relationship to cell death are unknown. Using a rat model of contusive SCI, we observed accumulation of LC3-II-positive autophagosomes starting at posttrauma day 1. This was accompanied by a pronounced accumulation of autophagy substrate protein p62, indicating that early elevation of autophagy markers reflected disrupted autophagosome degradation. Levels of lysosomal protease cathepsin D and numbers of cathepsin-D-positive lysosomes were also decreased at this time, suggesting that lysosomal damage may contribute to the observed defect in autophagy flux. Normalization of p62 levels started by day 7 after SCI, and was associated with increased cathepsin D levels. At day 1 after SCI, accumulation of autophagosomes was pronounced in ventral horn motor neurons and dorsal column oligodendrocytes and microglia. In motor neurons, disruption of autophagy strongly correlated with evidence of endoplasmic reticulum (ER) stress. As autophagy is thought to protect against ER stress, its disruption after SCI could contribute to ER-stress-induced neuronal apoptosis. Consistently, motor neurons showing disrupted autophagy co-expressed ER-stress-associated initiator caspase 12 and cleaved executioner caspase 3. Together, these findings indicate that SCI causes lysosomal dysfunction that contributes to autophagy disruption and associated ER-stress-induced neuronal apoptosis.
A genome-wide association study of marginal zone lymphoma shows association to the HLA region
Authors: Vijai Joseph , Wang Zhaoming , Berndt Sonja I. , Skibola Christine F. , Slager Susan L. , de Sanjose Silvia , Melbye Mads , Glimelius Bengt , Bracci Paige M. , Conde Lucia , Birmann Brenda M. , Wang Sophia S. , Brooks-Wilson Angela R. , Lan Qing , de Bakker Paul I. W. , Vermeulen Roel C. H. , Portlock Carol , Ansell Stephen M. , Link Brian K. , Riby Jacques , North Kari E. , Gu Jian , Hjalgrim Henrik , Cozen Wendy , Becker Nikolaus , Teras Lauren R. , Spinelli John J. , Turner Jenny , Zhang Yawei , Purdue Mark P. , Giles Graham G. , Kelly Rachel S. , Zeleniuch-Jacquotte Anne , Ennas Maria Grazia , Monnereau Alain , Bertrand Kimberly A. , Albanes Demetrius , Lightfoot Tracy , Yeager Meredith , Chung Charles C. , Burdett Laurie , Hutchinson Amy , Lawrence Charles , Montalvan Rebecca , Liang Liming , Huang Jinyan , Ma Baoshan , Villano Danylo J. , Maria Ann , Corines Marina , Thomas Tinu , Novak Anne J. , Dogan Ahmet , Liebow Mark , Thompson Carrie A. , Witzig Thomas E. , Habermann Thomas M. , Weiner George J. , Smith Martyn T. , Holly Elizabeth A. , Jackson Rebecca D. , Tinker Lesley F. , Ye Yuanqing , Adami Hans-Olov , Smedby Karin E. , De Roos Anneclaire J. , Hartge Patricia , Morton Lindsay M. , Severson Richard K. , Benavente Yolanda , Boffetta Paolo , Brennan Paul , Foretova Lenka , Maynadie Marc , McKay James , Staines Anthony , Diver W. Ryan , Vajdic Claire M. , Armstrong Bruce K. , Kricker Anne , Zheng Tongzhang , Holford Theodore R. , Severi Gianluca , Vineis Paolo , Ferri Giovanni M. , Ricco Rosalia , Miligi Lucia , Clavel Jacqueline , Giovannucci Edward , Kraft Peter , Virtamo Jarmo , Smith Alex , Kane Eleanor , Roman Eve , Chiu Brian C. H. , Fraumeni Joseph F. , Wu Xifeng , Cerhan James R. , Offit Kenneth , Chanock Stephen J. , Rothman Nathaniel , Nieters Alexandra
Published: January 2015

Marginal zone lymphoma (MZL) is the third most common subtype of B-cell non-Hodgkin lymphoma. Here we perform a two-stage GWAS of 1,281 MZL cases and 7,127 controls of European ancestry and identify two independent loci near BTNL2 (rs9461741, P=3.95 × 10−15) and HLA-B (rs2922994, P=2.43 × 10−9) in the HLA region significantly associated with MZL risk. This is the first evidence that genetic variation in the major histocompatibility complex influences MZL susceptibility.
Unforeseen high temperature and humidity stability of FeCl3 intercalated few layer graphene
Authors: Wehenkel Dominique Joseph , Bointon Thomas Hardisty , Booth Tim , Bøggild Peter , Craciun Monica Felicia , Russo Saverio
Published: January 2015

We present the first systematic study of the stability of the structure and electrical properties of FeCl3 intercalated few-layer graphene to high levels of humidity and high temperature. Complementary experimental techniques such as electrical transport, high resolution transmission electron microscopy and Raman spectroscopy conclusively demonstrate the unforseen stability of this transparent conductor to a relative humidity up to 100% at room temperature for 25 days, to a temperature up to 150°C in atmosphere and to a temperature as high as 620°C in vacuum, that is more than twice higher than the temperature at which the intercalation is conducted. The stability of FeCl3 intercalated few-layer graphene together with its unique values of low square resistance and high optical transparency, makes this material an attractive transparent conductor in future flexible electronic applications.
Forensic determination of blood sample age using a bioaffinity-based assay
Authors: Agudelo Juliana , Huynh Crystal , Halámek Jan
Published: January 2015

A bioaffinity-driven cascade assay was developed to determine the time elapsed from the point a blood sample was left at a crime scene to the point of discovery.
Ammonium salting out extraction with analyte preconcentration for sub-part per billion quantitative analysis in surface, ground and drinking water by flow injection tandem mass spectrometry
Authors: Nanita Sergio C. , Kaldon Laura G. , Bailey David L.
Published: January 2015

Ammonium salting out provides instantaneous analyte preconcentration for high-throughput analysis of bioactive compounds in water by FIA-MS/MS.
The suitability of ZnO film-coated glassy carbon electrode for the sensitive detection of 4-nitrophenol in aqueous medium
Authors: Bashami R. M. , Hameed A. , Aslam M. , Ismail Iqbal M. I. , Soomro M. Tahir
Published: January 2015

The performance of a ZnO nanoparticle-based electrochemical sensor, fabricated by different treatments of ZnO on glassy carbon electrode, was evaluated for the determination of 4-nitrophenol (4-NP) in aqueous medium.
Synthetic peptides caged on histidine residues with a bisbipyridyl ruthenium(ii) complex that can be photolyzed by visible light
Authors: Mosquera Jesús , Sánchez Mateo I. , Mascareñas José L. , Eugenio Vázquez M.
Published: January 2015

We report a light-sensitive histidine building block for Fmoc/tBu solid-phase peptide synthesis in which the imidazole side chain is coordinated to a ruthenium complex.
The role of iron in the preparation and oxygen reduction reaction activity of nitrogen-doped carbon
Authors: Yang Dae-Soo , Song Min Young , Singh Kiran Pal , Yu Jong-Sung
Published: January 2015

The exact role of iron in catalyzing oxygen reduction reaction in both alkaline and acidic media is portrayed with unique platelet ordered mesoporous carbon prepared using Fe-phthalocyanine as iron, nitrogen and carbon sources.