bluuebunny/crossref_metadata_2025 huggingface dataset:
Plasmon-enhanced polymer photovoltaic cells based on large aspect ratio gold nanorods and the related working mechanism
Authors: Chen S. F. , Cheng F. , Mei Y. , Peng B. , Kong M. , Hao J. Y. , Zhang R. , Xiong Q. H. , Wang L. H. , Huang W.
Published: May 2014

Two types of Au nanorods (NRs) possessing longitudinal/transverse axes of 55/11 (NR11) and 90/18 nm (NR18) are, respectively, incorporated into the hole extraction layer to improve optical-to-electrical conversion performances in polymer photovoltaic cells. Totally different improvement factors in short-circuit current and power conversion efficiency occur in the NR11- and NR18-doped cells. Optical simulations, electrical analysis, and morphology alteration accompanying with the incorporation of NRs were proceeded to investigate the reason, and analysis demonstrates that a slower damping of field around NRs18 (results in a field and absorption enhancement around the active layer) and one order higher scattering cross section in the NR18-incorporated cell are key factors contributed to the improvement of cell performances.
Magnetization switching and inverted hysteresis in perpendicular antiferromagnetic superlattices
Authors: Charilaou M. , Bordel C. , Hellman F.
Published: May 2014

The magnetization of antiferromagnetic (AFM) superlattices as a function of applied field was investigated using Monte Carlo simulations. The simulated hysteresis loops of systems with N magnetic layers with AFM coupling between the layers exhibit distinct steps with magnetization that decreases with increasing N. Systems with odd N exhibit 3 steps and inverted hysteresis for N > 3, whereas systems with even N exhibit 4 steps, for N > 2, and their microscopic switching sequence is non-deterministic and can take two distinct pathways, even though the switching of the global magnetization is exactly reversible.
Combined influence of carrier mobility and dielectric constant on the performance of organic bulk heterojunction solar cells
Authors: Inche Ibrahim M. L. , Ahmad Zubair , Sulaiman Khaulah , Muniandy S. V.
Published: May 2014

It has been shown that there is an optimum charge carrier mobility that leads to a peak in the efficiency for organic bulk heterojunction solar cells with mobility-dependent recombination rate. Hence, improving the mobility is considered as one of the ways to increase the efficiency. In this study, we investigate the combined influence of charge carrier mobility and dielectric constant on the performance of organic bulk heterojunction solar cells by performing drift-diffusion calculations. We find that a higher dielectric constant leads to a higher peak efficiency together with a lower optimum mobility. We also find that if the dielectric constant of the active material can be increased significantly (to around 8 or higher), it is then possible that the mobility of the active material need not to be improved in order to achieve the maximum efficiency. This study demonstrates the importance of knowing the interplay between the mobility and the dielectric constant with regard to the efficiency.
Use of highway underpasses by bandicoots over a 7-year period that encompassed road widening
Authors: Taylor Brendan D. , Goldingay Ross L.
Published: May 2014

Roads may create filters or barriers to animal movement and adversely affect population processes. Underpasses are now commonly installed during highway construction to mitigate barrier effects and link habitat patches. We used sand-tracking to investigate use of six underpasses by bandicoots along a section of the Pacific Highway in northern New South Wales before, during and after road duplication (i.e. expansion from two to four lanes). Trapping revealed that the northern brown bandicoot (Isoodon macrourus) and the long-nosed bandicoot (Perameles nasuta) were equally abundant prior to highway expansion. Five years before highway widening, bandicoots frequently used 18-m-long underpasses (>1 traverses per day). Twelve months before road widening, underpass use by bandicoots declined to ~0.5 traverses per day and continued near this level during construction. This declined to 0.03 traverses per day after duplication with underpasses extended to ≥49 m in length. Few crossings were recorded after expansion of the road corridor, which may indicate a shift from regular foraging traverses before duplication to infrequent dispersal movements after duplication.
Molecular phylogenetics and taxonomic reanalysis of the family Mithracidae MacLeay (Decapoda : Brachyura : Majoidea)
Authors: Windsor Amanda M. , Felder Darryl L.
Published: May 2014

Mithracid crabs comprise a primarily subtidal reef- and rubble-dwelling group inhabiting both tropical and subtropical seas. Despite their relative ubiquity in many hard-substrate environments, there has been little consensus about their phylogenetic relationships or whether their group rank should be that of subfamily or family. We have used a combined molecular dataset of two nuclear (18S, H3) and three mitochondrial (12S, 16S, COI) genes to build a preliminary molecular phylogeny of Majoidea in order to examine the membership of Mithracidae. We then built a second molecular phylogeny based on three mitochondrial genes to assess the internal composition of the family, and conducted comparative morphological examinations of genera and species that resolved in unexpected positions on the phylogram. Four genera are designated under new or resurrected names on the basis of molecular and morphological characters, while memberships of several other existing genera are modified. Following review of molecular and morphological characters, the genera Coelocerus, Cyclocoeloma, Cyphocarcinus, Leptopisa, Micippa, Picrocerodes, Stenocionops and Tiarinia are provisionally excluded from Mithracidae s.s., while Hemus and Pitho are included in it. A key to genera of Mithracidae is provided.
Targeting RPL39 and MLF2 reduces tumor initiation and metastasis in breast cancer by inhibiting nitric oxide synthase signaling
Authors: Dave Bhuvanesh , Granados-Principal Sergio , Zhu Rui , Benz Stephen , Rabizadeh Shahrooz , Soon-Shiong Patrick , Yu Ke-Da , Shao Zhimin , Li Xiaoxian , Gilcrease Michael , Lai Zhao , Chen Yidong , Huang Tim H.-M. , Shen Haifa , Liu Xuewu , Ferrari Mauro , Zhan Ming , Wong Stephen T. C. , Kumaraswami Muthiah , Mittal Vivek , Chen Xi , Gross Steven S. , Chang Jenny C.
Published: May 2014

Significance

This manuscript describes the identification and characterization of two previously unidentified cancer genes, ribosomal protein L39 and myeloid leukemia factor 2, that play an important role in tumor initiation and metastasis. Knockdown of these genes in triple negative breast cancer (TNBC) models significantly reduces primary-tumor growth, as well as metastasis. Mutations in these genes are associated with worse survival in breast-cancer patients. Both genes are regulated by the nitric oxide signaling pathway. Identification of these two genes represents a significant breakthrough in our understanding of treatment resistance in TNBC. Targeting these genes could alter clinical practice for tumor metastasis in future and improve outcomes of patients with breast cancer.
Secondary school teachers’ perspectives on teaching about topics that bridge science and religion
Authors: Billingsley Berry , Riga Fran , Taber Keith S. , Newdick Helen
Published: May 2014

The question of where to locate teaching about the relationships between science and religion has produced a long‐running debate. Currently, science and religious education (RE) are statutory subjects in England and are taught in secondary schools by different teachers. This paper reports on an interview study in which 16 teachers gave their perceptions of their roles and responsibilities when teaching topics that bridge science and religion and the extent to which they collaborated with teachers in the other subject areas. We found that in this sample, teachers reported very little collaboration between the curriculum areas. Although the science curriculum makes no mention of religion, all the science teachers said that their approaches to such topics were affected by their recognition that some pupils held religious beliefs. All the RE teachers reported struggling to ensure students know of a range of views about how science and religion relate. The paper concludes with a discussion about implications for curriculum design and teacher training.
Large universal deformation rings
Authors: Bleher Frauke
Published: May 2014

We provide a series of examples of finite groups

G
G

and mod

p
p

representations

V
V

of

G
G

whose stable endomorphisms are all given by scalars such that the universal deformation ring

R
(
G
,
V
)

R(G,V)

of

V
V

is large in the sense that

R
(
G
,
V
)

/

p
R
(
G
,
V
)

R(G,V)/pR(G,V)

is isomorphic to a power series algebra in one variable.
Loci of complex polynomials, part I
Authors: Sendov Blagovest , Sendov Hristo
Published: May 2014

The classical Grace theorem states that every circular domain in the complex planeC\mathbb {C}containing the zeros of a polynomialp(z)p(z)contains a zero of any of its apolar polynomials. We say that a closed domainΩ⊆C∗\Omega \subseteq \mathbb {C}^*is alocusofp(z)p(z)if it contains a zero of any of its apolar polynomials and is the smallest such domain with respect to inclusion. In this work we establish several general properties of the loci and show, in particular, that the property of a set being a locus of a polynomial is preserved under a Möbius transformation. We pose the problem of finding a locus inside the smallest disk containing the roots ofp(z)p(z)and solve it for polynomials of degree33. Numerous examples are given.
PatternCNV: a versatile tool for detecting copy number changes from exome sequencing data
Authors: Wang Chen , Evans Jared M. , Bhagwate Aditya V. , Prodduturi Naresh , Sarangi Vivekananda , Middha Mridu , Sicotte Hugues , Vedell Peter T. , Hart Steven N. , Oliver Gavin R. , Kocher Jean-Pierre A. , Maurer Matthew J. , Novak Anne J. , Slager Susan L. , Cerhan James R. , Asmann Yan W.
Published: May 2014

Motivation: Exome sequencing (exome-seq) data, which are typically used for calling exonic mutations, have also been utilized in detecting DNA copy number variations (CNVs). Despite the existence of several CNV detection tools, there is still a great need for a sensitive and an accurate CNV-calling algorithm with built-in QC steps, and does not require a paired reference for each sample.

Results: We developed a novel method named PatternCNV, which (i) accounts for the read coverage variations between exons while leveraging the consistencies of this variability across different samples; (ii) reduces alignment BAM files to WIG format and therefore greatly accelerates computation; (iii) incorporates multiple QC measures designed to identify outlier samples and batch effects; and (iv) provides a variety of visualization options including chromosome, gene and exon-level views of CNVs, along with a tabular summarization of the exon-level CNVs. Compared with other CNV-calling algorithms using data from a lymphoma exome-seq study, PatternCNV has higher sensitivity and specificity.

Availability and implementation: The software for PatternCNV is implemented using Perl and R, and can be used in Mac or Linux environments. Software and user manual are available at http://bioinformaticstools.mayo.edu/research/patterncnv/ , and R package at https://github.com/topsoil/patternCNV/ .

Contact:  Asmann.Yan@mayo.edu

Supplementary information:  Supplementary data are available at Bioinformatics online.
The determination of data-poor catch limits in the United States: is there a better way?
Authors: Berkson Jim , Thorson James T.
Published: May 2014

Methods for determining appropriate management actions for data-poor stocks, including annual catch limits (ACLs), have seen an explosion of research interest in the past decade. We perform an inventory of methods for determining ACLs for stocks in the United States, and find that ACLs are assigned to 371 stocks and/or stock complexes with 193 (52%) determined using methods involving catch data only. The proportion of ACLs involving these methods varies widely among fisheries management regions, with all the 67 ACLs in the Caribbean determined using recent catch when compared with 1 of 33 ACLs in the New England region (US Northeast). Given this prevalence of data-poor ACLs, we recommend additional research regarding the potential effectiveness of simple management procedures for data-poor stocks that are currently managed using ACLs. In particular, simple management procedures may allow a broader range of data types and management instruments that better suit the particulars of individual regions and stocks.
General Anesthetic Isoflurane Modulates Inositol 1,4,5-Trisphosphate Receptor Calcium Channel Opening
Authors: Joseph J. Donald , Peng Yi , Mak Don-On Daniel , Cheung King-Ho , Vais Horia , Foskett J. Kevin , Wei Huafeng
Published: May 2014

Background:

Pharmacological evidence suggests that inhalational general anesthetics induce neurodegeneration in vitro and in vivo through overactivation of inositol trisphosphate receptor (InsP3R) Ca2+-release channels, but it is not clear whether these effects are due to direct modulation of channel activity by the anesthetics.

Methods:

Using single-channel patch clamp electrophysiology, the authors examined the gating of rat recombinant type 3 InsP3R (InsP3R-3) Ca2+-release channels in isolated nuclei (N = 3 to 15) from chicken lymphocytes modulated by isoflurane at clinically relevant concentrations in the absence and presence of physiological levels of the agonist inositol 1,4,5-trisphosphate (InsP3). The authors also examined the effects of isoflurane on InsP3R-mediated Ca2+ release from the endoplasmic reticulum and changes in intracellular Ca2+ concentration ([Ca2+]i).

Results:

Clinically relevant concentrations (approximately 1 minimal alveolar concentration) of the commonly used general anesthetic, isoflurane, activated InsP3R-3 channels with open probability similar to channels activated by 1 µM InsP3 (P
o ≈ 0.2). This isoflurane modulation of InsP3R-3 P
o depended biphasically on [Ca2+]i. Combination of isoflurane with subsaturating levels of InsP3 in patch pipettes resulted in at least two-fold augmentations of InsP3R-3 channel P
o compared with InsP3 alone. These effects were not noted in the presence of saturating [InsP3]. Application of isoflurane to DT40 cells resulted in a 30% amplification of InsP3R-mediated [Ca2+]i oscillations, whereas InsP3-induced increase in [Ca2+]i and cleaved caspase-3 activity were enhanced by approximately 2.5-fold.

Conclusion:

These results suggest that the InsP3R may be a direct molecular target of isoflurane and plays a role in the mechanisms of anesthetic-mediated pharmacological or neurotoxic effects.
Long-term Treatment Outcomes for Locally Advanced Esophageal Cancer
Authors: Sio Terence T. , Wilson Zachary C. , Stauder Michael C. , Bhatia Sumita , Martenson James A. , Quevedo J. Fernando , Schomas David A. , Miller Robert C.
Published: May 2014

Objectives:

To determine long-term outcomes in patients with locally advanced esophageal carcinoma treated with trimodality therapy (chemoradiotherapy [CRT] and surgery, TMT) or definitive CRT.

Methods:

We retrospectively identified patients with advanced esophageal carcinoma treated with curative intent at our institution between 1998 and 2004. Identified patients were separated into 3 groups: patients who received TMT, patients who received CRT, and patients who began treatment with trimodality intent but did not undergo surgery (PTMT). Local control, overall survival (OS), and distant metastasis-free survival were compared using Kaplan-Meier statistics.

Results:

Among the 265 patients included, median follow-up was 6.4 years for surviving patients and 1.7 years for all patients. Type of esophageal cancer was adenocarcinoma in 213 patients (80%) and squamous cell carcinoma in 46 patients (17%). Treatment groups comprised 169 patients (64%) completing TMT, 46 patients medically unable to undergo surgery after neoadjuvant therapy (PTMT), and 50 (19%) who underwent CRT. Median OS was 20.5 months; actuarial 5- and 10-year OS were 27% and 12%, respectively. The TMT group had the highest 5- and 10-year OS (32% and 19%, respectively). Local control rates at 2, 5, and 10 years for all patients were 80%, 70%, and 69%, respectively. By treatment modality, 5-year local control was best (82%) for TMT, compared with 60% for CRT and 40% for PTMT groups (P<0.001).

Conclusions:

Patients who completed TMT had the best local control and long-term OS. In the context of TMT, surgery seemed more beneficial in patients with esophageal adenocarcinoma versus squamous cell carcinoma.
Management of Unplanned Excision for Soft-Tissue Sarcoma With Preoperative Radiotherapy Followed by Definitive Resection
Authors: Jones Daniel A. , Shideman Charles , Yuan Jianling , Dusenbery Kathryn , Carlos Manivel J. , Ogilvie Christian , Clohisy Denis R. , Cheng Edward Y. , Shanley Ryan , Chinsoo Cho L.
Published: May 2014

Background and Objectives:

The purpose of this study was to review the outcomes after preoperative radiotherapy and definitive surgery for patients who initially had inadvertent excision for sarcoma.

Materials and Methods:

Treatment records of 44 consecutive patients, who initially underwent unplanned excision of soft-tissue sarcoma between January 2004 and January 2012, were reviewed. All patients had clinically localized disease before treatment and received preoperative external-beam radiotherapy followed by definitive oncologic surgery at our institution.

Results:

The median follow-up was 36 months. Residual tumor after preoperative radiotherapy and wound bed excision was identified in 39% (17/44) of the cases. Kaplan-Meier estimates for 5-year local control, recurrence-free survival, and overall survival are 95% (95% confidence interval [CI], 80-99), 86% (95% CI, 69-94), and 94% (95% CI, 79-99) respectively. Perioperative morbidity occurred in 25% of patients (11/44.) All patients with perioperative wound complications had lower extremity sarcomas.

Conclusions:

Optimal management for unplanned excision of soft-tissue sarcoma is unknown. Our institution has adopted the approach of preoperative radiotherapy, followed by definitive surgery. In our series of 44 patients, local control was excellent at 95%, with perioperative complications seen only in patients with lower extremity sarcomas, suggesting that this is a reasonable approach to manage inadvertently resected sarcoma.
Tamlana sedimentorum sp. nov., isolated from shallow sand sediments of the Sea of Japan
Authors: Romanenko Lyudmila A. , Tanaka Naoto , Kurilenko Valeriya V. , Svetashev Vassilii I.
Published: May 2014

An aerobic, Gram-stain-negative, saffron-pigmented, non-motile bacterial strain KMM 9545T, was isolated from a marine sand sediment sample obtained from the Sea of Japan seashore and characterized in a taxonomic study using a polyphasic approach. The 16S rRNA gene sequence of strain KMM 9545T showed a high level of similarity to species of the genus

Gaetbulibacter

(95.1–96.2 %), the type strains of species of the genus

Tamlana

(94.9–96.1 %) and members of the genus

Algibacter

(94.8–96.1 %). Phylogenetic analysis based on the 16S rRNA gene sequences positioned strain KMM 9545T as a distinct lineage in the cluster comprising species of the genus

Tamlana

. Strain KMM 9545T grew at temperatures between 5–36 °C and in the presence of 2–4 % (w/v) NaCl. It contained MK-6 as the predominant menaquinone and iso-C15 : 0, iso-C15 : 1, iso-C17 : 1 3-OH, iso-C15 : 0 3-OH and iso-C15 : 0 2-OH as the major fatty acids. The genomic DNA G+C content was 31.3 mol%. On the basis of the phenotypic characteristics and phylogenetic distance, it can be concluded that strain KMM 9545T represents a novel species of the genus

Tamlana

, for which the name Tamlana
sedimentorum sp. nov. is proposed. The type strain is KMM 9545T ( = NRIC 0921T = JCM 19808T).
Lactobacillus furfuricola sp. nov., isolated from Nukadoko, rice bran paste for Japanese pickles
Authors: Irisawa Tomohiro , Tanaka Naoto , Kitahara Maki , Sakamoto Mitsuo , Ohkuma Moriya , Okada Sanae
Published: May 2014

Two strains of lactic acid bacteria, Nu27T and Nu29, were isolated from Nukadoko, rice bran paste for Japanese pickles. The isolates were Gram-stain-positive, rod-shaped, catalase-negative, non-motile and facultatively anaerobic lactic acid bacteria. The isolates showed identical 16S rRNA gene sequences. The closest relatives to strain Nu27T based on 16S rRNA gene sequence similarities were

Lactobacillus versmoldensis

KU-3T (98.9 % 16S rRNA gene sequence similarity),

Lactobacillus nodensis

iz4bT (96.3 %) and

Lactobacillus tucceti

CECT 5290T (97.2 %). DNA–DNA relatedness values revealed genotype separation of the two isolates from the above three species. Based on the physiological, biochemical and genotypic characteristics provided, the isolates represent a novel species of the genus

Lactobacillus

, for which name is Lactobacillus furfuricola proposed. The type strain is Nu 27T ( = JCM 18764T = NRIC 0900T = DSM 27174T).
Desulfocarbo indianensis gen. nov., sp. nov., a benzoate-oxidizing, sulfate-reducing bacterium isolated from water extracted from a coal bed
Authors: An Thuy T. , Picardal Flynn W.
Published: May 2014

A novel, strictly anaerobic, sulfate-reducing bacterium, designated strain SCBMT, was isolated from water extracted from a coal bed in Indiana, USA. The isolate was characterized by a polyphasic taxonomic approach that included phenotypic and genotypic characterizations. Cells of strain SCBMT were vibrio-shaped, polarly flagellated, Gram-negative, motile, oxidase-negative and weakly catalase-positive. Growth of strain SCBMT was observed at NaCl concentrations ranging from 0 to 300 mM. However, no growth was observed when 1 M or more NaCl was present. Growth was observed at 16–37 °C, with optimal growth at 30 °C. The optimum pH for growth was 7, although growth was observed from pH 6.5 to 8. The doubling time under optimal growth conditions (30 °C, pH 7, 2.5 mM benzoate, 14 mM sulfate) was 2.7 days. Bicarbonate, HEPES, PIPES and MES were effective buffers for growth of strain SCBMT, but citrate inhibited growth. When sulfate was provided as the electron acceptor, strain SCBMT grew autotrophically with hydrogen as the electron donor and heterotrophically on benzoate, formate, acetate, pyruvate, butyrate, fumarate, succinate and palmitate. None of the substrates tested supported fermentative growth. Thiosulfate and sulfate were used as electron acceptors coupled to benzoate oxidation, but sulfite, elemental sulfur, DMSO, anthraquinone 2,6-disulfonate, nitrate, nitrite, ferric citrate, hydrous iron oxide and oxygen were not. The G+C content of genomic DNA was 62.5 mol%. The major cellular fatty acids were anteiso-C15 : 0 and C18 : 1ω7c. Phylogenetic analysis based on 16S rRNA gene sequencing placed strain SCBMT into a distinct lineage within the class

Deltaproteobacteria

. The closest, cultivated phylogenetic relative of strain SCBMT was

Desulfarculus baarsii

DSM 2075T, with only 91.7 % 16S rRNA gene sequence identity. On the basis of phenotypic and genotypic analyses, strain SCBMT represents a novel genus and species of sulfate-reducing bacteria, for which the name Desulfocarbo indianensis gen. nov., sp. nov. is proposed. The type strain of Desulfocarbo indianensis is SCBMT ( = DSM 28127T = JCM 19826T). Desulfocarbo is the second genus of the order

Desulfarculales

.
Role of sialic acids in feline enteric coronavirus infections
Authors: Desmarets Lowiese M. B. , Theuns Sebastiaan , Roukaerts Inge D. M. , Acar Delphine D. , Nauwynck Hans J.
Published: May 2014

To initiate infections, many coronaviruses use sialic acids, either as receptor determinants or as attachment factors helping the virus find its receptor underneath the heavily glycosylated mucus layer. In the present study, the role of sialic acids in serotype I feline enteric coronavirus (FECV) infections was studied in feline intestinal epithelial cell cultures. Treatment of cells with neuraminidase (NA) enhanced infection efficiency, showing that terminal sialic acid residues on the cell surface were not receptor determinants and even hampered efficient virus–receptor engagement. Knowing that NA treatment of coronaviruses can unmask viral sialic acid binding activity, replication of untreated and NA-treated viruses was compared, showing that NA treatment of the virus enhanced infectivity in untreated cells, but was detrimental in NA-treated cells. By using sialylated compounds as competitive inhibitors, it was demonstrated that sialyllactose (2,6-α-linked over 2,3-α-linked) notably reduced infectivity of NA-treated viruses, whereas bovine submaxillary mucin inhibited both treated and untreated viruses. In desialylated cells, however, viruses were less prone to competitive inhibition with sialylated compounds. In conclusion, this study demonstrated that FECV had a sialic acid binding capacity, which was partially masked by virus-associated sialic acids, and that attachment to sialylated compounds could facilitate enterocyte infections. However, sialic acid binding was not a prerequisite for the initiation of infection and virus–receptor engagement was even more efficient after desialylation of cells, indicating that FECV requires sialidases for efficient enterocyte infections.
5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde
Authors: Sun Xian-Shun , Shao Nan-Qi , Li Dan-Dan
Published: May 2014

In the title compound, C8H11NO2S, the aldehyde group is approximately coplanar with the thiophene ring [maximum deviation = 0.023 (2) Å]. In the crystal, molecules are linked by O—H...O hydrogen bonds into supramolecular chains propagating along thea-axis direction.
N′-[(4Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)hexyl]benzenesulfonohydrazide
Authors: Ukwueze Nkechinyere N. , Ukoha Pius O. , Ujam Oguejiofo T. , Asegbeloyin Jonnie N. , Groutso Tania
Published: May 2014

In the title compound, C22H26N4O3S, the dihedral angle between the pyrazoloneand phenyl rings is 21.73 (4)°. The benzensulfonohydrazide group adopts agaucheconformation about the N—N vector. The C—N—N—S torsion angle is −109.88 (13)°. The molecule exists as the enamine tautomeric form (C=C—NH). An intramolecular N—H...O=C hydrogen bond occurs. In the crystal, molecules are linked by pairs of N—H...O=C hydrogen bonds, forming centrosymmetric dimers.
3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile
Authors: Narayana B. , Sapnakumari M , Sarojini Balladka K. , Jasinski Jerry P.
Published: May 2014

In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—H...O hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linkedviaC—H...N and C—H...O hydrogen bonds, forming chains along thec-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to thebcplane.
4-[(E)-(4-Hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
Authors: Sarojini Balladka K. , Manjula Padmanabha S. , Narayana B. , Jasinski Jerry P.
Published: May 2014

The title compound, C10H10N4OS, is nearly planar with the mean planes of the hydroxybenzyl and triazole rings inclined at an angle of only 3.2 (7)°. In the crystal, O—H...N hydrogen bonds between the hydroxy group and the triazole ring in concert with weak N—H...S intermolecular interactions between the triazole ring and thione group form chains along [-210] enclosingR22(8) graph-set motifs. A weak intramolecular C—H...S interaction and intermolecular π–π interactions [centroid–centroid distance = 3.5990 (15) Å] are also observed.
4′-Phenyl-3,4-dihydro-2H-spiro[naphthalene-1,3′-[1,2,4]triazole]-5′-thione
Authors: Mague Joel T. , Akkurt Mehmet , Mohamed Shaaban K. , Hassan Alaa A. , Albayati Mustafa R.
Published: May 2014

In the title molecule, C17H15N3S, the phenyl group makes a dihedral angle of 57.29 (11)° with the mean plane of the triazole ring, which in turn makes an angle of 86.83 (12)° with the plane of the aromatic portion of the tetrahydronaphthalene moiety. In the crystal, molecules are linked by weak C—H...S hydrogen bonds into supramolecular chains propagating along thea-axis direction. Weak C—H...π interactions are also observed.
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes
Authors: Allan David R. , Bailey Daniel , Bird Nigel , Blake Alexander J. , Champness Neil R. , Huang Deguang , Keane Conal P. , McMaster Jonathan , Prior Timothy J. , Tidey Jeremiah P. , Schröder Martin
Published: May 2014

The mononuclear macrocyclic PdIIcomplexcis-[PdCl2([9]aneS3)] ([9]aneS3= 1,4,7-trithiacyclo-nonane) converts at 44 kbar into an intensely coloured chain polymer exhibiting distorted octahedral coordination at the metal centre and an unprecedented [1233] conformation for the thioether ligand. The evolution of an intramolecular axial sulfur–metal interaction and an intermolecular equatorial sulfur–metal interaction is central to these changes. High-pressure crystallographic experiments have also been undertaken on the related complexes [PtCl2([9]aneS3)], [PdBr2([9]aneS3)], [PtBr2([9]aneS3)], [PdI2([9]aneS3)] and [PtI2([9]aneS3)] in order to establish the effects of changing the halide ligands and the metal centre on the behaviour of these complexes under pressure. While all complexes undergo contraction of the various interaction distances with increasing pressure, only [PdCl2([9]aneS3)] undergoes a phase change. Pressure-induced I...I interactions were observed for [PdI2([9]aneS3)] and [PtI2([9]aneS3)] at 19 kbar, but the corresponding Br...Br interactions in [PdBr2([9]aneS3)] and [PtBr2([9]aneS3)] only become significant at much higher pressure (58 kbar). Accompanying density functional theory (DFT) calculations have yielded interaction energies and bond orders for the sulfur–metal interactions.
The α ↔ β phase transitions of Zn2P2O7revisited: existence of an additional intermediate phase with an incommensurately modulated structure
Authors: Stöger Berthold , Weil Matthias , Dušek Michal
Published: May 2014

Zn2P2O7crystallizes in a thortveitite-like structure and features temperature-dependent polymorphism. At high temperatures (T> 500 K), the aristotype phase β-Zn2P2O7(C2/m,Z= 2,a≃ 6.60,b≃ 8.28,c≃ 4.53 Å, β ≃ 105.4°) is stable. At lower temperatures the lock-in phase α1-Zn2P2O7[at 350 K:I2/c,Z= 12,a= 20.1131 (13),b= 8.2769 (6),c= 9.109 (3) Å, β = 106.338 (16)°], a sixfold superstructure with commensurate modulation vectorq= (1/3, 0, 1/2), is stable. Between the stability ranges of the α1- and β-phases exists the intermediate, incommensurately modulated α2-Zn2P2O7phase with modulation wavevectorq≃ (0.33, 0, 0.40) andC2/m(α, 0, γ)0ssuperspace group symmetry. The α1→ α2lock-in phase transition atTL= 408 K is of first-order and features virtually no hysteresis. It is immediately followed by the second-order α2→ β transition to the non-modulated phase atTI≃ 430 K. This transformation is sluggish and even atT= 500 K very weak satellite reflections of the α2-phase were observed. Both phase transitions were analyzed with differential scanning calorimetry and high-temperature powder and single-crystal X-ray diffraction. The crystal structures of the α1- and α2-phases were refined from single crystal data collected atT= 350, 400, 405, 410, 415, 420, 425, 430, 450 and 500 K. Different models describing the slow transition from the incommensurately modulated α2- to the non-modulated β-phase were tested. In the model resulting in the best residuals, the bridging O atom of the [P2O7] group, which is located on a 2/mposition in the basic structure, is described as an overlap of an atom ordered in internal space and one atom disordered around the mirror plane. The occupancy of the ordered atom decreases with temperature until atT= 500 K virtually only the disordered atom remains. Simultaneously, the amplitude of the modulation functions of the remaining atoms decreases, so that theT= 500 K structure can be considered as theC2/maristotype structure, although the diffraction pattern still features satellite reflections of first order with very low intensities.
A combined study of the equation of state of monazite-type lanthanum orthovanadate usingin situhigh-pressure diffraction andab initiocalculations
Authors: Ermakova Olga , López-Solano Javier , Minikayev Roman , Carlson Stefan , Kamińska Agata , Głowacki Michał , Berkowski Marek , Mujica Andrés , Muñoz Alfonso , Paszkowicz Wojciech
Published: May 2014

Lanthanum orthovanadate (LaVO4) is the only stable monazite-type rare-earth orthovanadate. In the present paper the equation of state of LaVO4is studied usingin situhigh-pressure powder diffraction at room temperature, andab initiocalculations within the framework of the density functional theory. The parameters of a second-order Birch–Murnaghan equation of state,i.e.those fitted to the experimental and theoretical data, are found to be in perfect agreement – in particular, the bulk moduli are almost identical, with values of 106 (1) and 105.8 (5) GPa, respectively. In agreement with recent reported experimental data, the compression is shown to be anisotropic. Its nature is comparable to that of some other monazite-type compounds. The softest compression direction is determined.
Isothermal and isochoric crystallization of highly hygroscopic pyridineN-oxide of aqueous solution
Authors: Patyk Ewa , Marciniak Jedrzej , Tomkowiak Hanna , Katrusiak Andrzej , Merz Klaus
Published: May 2014

Highly hygroscopic pyridineN-oxide, C5H5NO, dissolves in water absorbed from atmospheric air, but it crystallizes in the neat form of the aqueous solution under high pressure. The crystals grown at high-pressure isochoric conditions are of the same phase as that obtained from anhydrous crystallization at ambient pressure. This feature can be employed for retrieving compounds highly soluble in water from their aqueous solutions. The crystal structure is strongly stabilized by CH...O contacts. The crystal compression and thermal expansion as well as three shortest H...O distances comply with the inverse-relationship rule of pressure and temperature changes.
In-situhigh-pressure powder X-ray diffraction study of α-zirconium phosphate
Authors: Readman Jennifer E. , Lennie Alistair , Hriljac Joseph A.
Published: May 2014

The high-pressure structural chemistry of α-zirconium phosphate, α-Zr(HPO4)2·H2O, was studied usingin-situhigh-pressure diffraction and synchrotron radiation. The layered phosphate was studied under both hydrostatic and non-hydrostatic conditions and Rietveld refinement carried out on the resulting diffraction patterns. It was found that under hydrostatic conditions no uptake of additional water molecules from the pressure-transmitting medium occurred, contrary to what had previously been observed with some zeolite materials and a layered titanium phosphate. Under hydrostatic conditions the sample remained crystalline up to 10 GPa, but under non-hydrostatic conditions the sample amorphized between 7.3 and 9.5 GPa. The calculated bulk modulus,K0= 15.2 GPa, showed the material to be very compressible with the weak linkages in the structure of the type Zr—O—P.
Structure–melting relations in isomeric dibromobenzenes
Authors: Dziubek Kamil F. , Katrusiak Andrzej
Published: May 2014

1,4-Dibromobenzene melts at a considerably higher temperature than the 1,2- and 1,3-isomers. This melting-point difference is consistent with the molecular symmetry, as described by Carnelley's rule, and with the frequency of Br...Br halogen bonds. The lowest melting point of 1,3-dibromobenzene correlates with its two symmetry-independent molecules, indicating their inability to pack closely. Single crystals of 1,2- and 1,3-dibromobenzene have been grown under isochoric conditions in a diamond–anvil cell and at isobaric conditions in a glass capillary. Their structures have been determinedin situby X-ray diffraction. At 295 K 1,2-dibromobenzene crystallizes at 0.2 GPa as orthorhombic, space groupPbca,Z′ = 1, and 1,3-dibromobenzene at 0.3 GPa as orthorhombic, space groupP212121,Z′ = 2. The same crystal phases are formed at ambient pressure by freezing these liquids below 256.15 and 248.45 K, respectively. The third isomer, 1,4-dibromobenzene, is a solid at room temperature and crystallizes as monoclinic, space groupP21/a. Striking relations between the structures and melting points of the corresponding dibromobenzene and dichlorobenzene isomers have been discussed.
When the war is over: Lithgow, Western Sydney and the search for higher education options
Authors: Hutchinson Mark
Published: May 2014

Purpose

– The purpose of this paper is to explore the interaction between a liminal rural Australian city (Lithgow) and the development of higher education options across the city's history. The paper proposes a nuanced interaction between national, social, religious, political, regional and local forces to explain why an industrial city such as Lithgow, with obvious educational strengths, would be overlooked while others (such as Wollongong and Bathurst) were not.

Design/methodology/approach

– The paper takes the form of a longitudinal study of educational institutions, placed in their historical contexts, in order to demonstrate the fluctuation of educational vision with the rise and fall of socio-economic contributors to the town's fortunes.

Findings

– The paper finds that the city's formation and dependence on war-related industries created boom-bust cycles which negatively impacted on its entrepreneurial, managerial and working class elites, and so on its ability to bring cultural and political influence to bear in the formation of local higher education options, across a period in which higher education becomes an increasingly federal responsibility.

Practical implications

– The paper suggests policy ramifications for the support of higher education options in the city.

Social implications

– The paper supports the interpretation that it is not merely that education itself promotes social mobility, but that what type of education is important, along with an eye to how education contributes to the overall well-being and cross-class profile of the city of Lithgow.

Originality/value

– This paper fills a gap in historical knowledge about Lithgow's educational institutions, the study of which heretofore has tended to be located with either labor historical or heritage approaches. This paper takes a socio-cultural and longitudinal/holistic approach which brings together a variety of approaches previously not treated.
“How do we learn about sex?”
Authors: F. Preston Lesley
Published: May 2014

Purpose

– Using sex education at Shepparton South Technical School (South Tech) as a prism, the purpose of this paper is to analyse the Victorian Technical Schools Division policies and practices during the 1970-1980s.

Design/methodology/approach

– The paper draws on a documented history of South Tech by using a blended methodology consisting of interviews, media-centred debates and a range of documentary sources.

Findings

– The Technical Director, Edward “Ted” Jackson's 1970 policy empowered principals as educational leaders, in partnership with their community, to develop courses responding to student needs. This paper analyses a controversy concerning sex education in 1980 that brought such courses under the scrutiny of the Victorian public.

Social implications

– Identifying the policies and practices of a sex education course that proved successful in the past enhances the development of contemporary courses.

Originality/value

– Victoria's former secondary technical schools provide an important insight into current social and vocational problems.
Executive options with inflated equity prices
Authors: Wilson Linus , Wendy Wu Yan
Published: May 2014

Purpose

– The purpose of this paper is to solve the optimal managerial compensation problem when shareholders are either naïvely optimistic or rational.

Design/methodology/approach

– The paper uses applied game theory to derive the optimal CEO compensation package with over optimistic shareholders.

Findings

– The results suggest that boards of directors should decrease option grants to CEOs when equity is likely to be irrationally overvalued at the date when the CEO's options vest.

Research limitations/implications

– The implications of the model are consistent with the available empirical evidence. In addition, the model generates new testable predictions about managerial stock price manipulation, the number of options granted, and the magnitude of the options’ strike prices that have not yet been formally tested.

Originality/value

– This is the only paper to derive closed-form solutions to optimal CEO compensation when shareholders are naïvely optimistic.
The role of agency in project initiation decisions
Authors: Mullaly Mark
Published: May 2014

Purpose

– The purpose of this paper is to explore the role of decision rules and agency in supporting project initiation decisions, and the influences of agency on decision-making effectiveness.

Design/methodology/approach

– The study this paper is based upon used grounded theory methodology, and sought to understand the influences of individual decision makers on project initiation decisions within organizations. Data collection involved 28 participants who were involved in project initiation decisions within their organizations, who discussed the process of project initiation in their organization and their role within that process.

Findings

– The study demonstrates that the overall effectiveness of project initiation decisions is a product of agency, process effectiveness or rule effectiveness. The employment of agency can have a direct influence on decision-making effectiveness, it can compensate for organizational inadequacies of a process or political nature, and it can be constrained in the evidence of formal and effective organizational practices.

Research limitations/implications

– While agency was recognized by all participants, there are clearly circumstances where actors perceive the ability to exercise agency to be externally constrained. The study is exploratory, contributing to the development of substantive theory. Theory testing as well as a more in-depth investigation of the underlying drivers of agency would be valuable.

Practical implications

– The study provides executives and individuals supporting the initiation of projects with insights on how to effectively influence the effectiveness of project initiation decisions, and the degree to which personal characteristics influence organizational dynamics.

Originality/value

– Most discussions of agency has been framed the subject as an executive- or board-level phenomenon. The current study demonstrates that agency is in fact being perceived and operationalized at all levels. Those demonstrating agency in the majority of instances in this study do so in exercising stewardship behaviours. This has important implications for how agency is perceived by executives, and by how agency is exercised by actors at all levels of the organization.
Cross-cultural intelligence (CQ)
Authors: Konanahalli Ashwini , O. Oyedele Lukumon , Spillane John , Coates Ron , von Meding Jason , Ebohon John
Published: May 2014

Purpose

– The purpose of this paper is to investigate the relationship between the facets of cultural intelligence (CQ) (cognitive, meta-cognitive, motivational and behavioural) and the dimensions of cross-cultural adjustment (interaction, general and work adjustment).

Design/methodology/approach

– Interviews and questionnaire survey were carried out with British expatriates from the architectural, engineering and construction sector. A total of 191 respondents, with experience from 29 different countries, actively participated in this research. Structural equation model was subsequently developed to investigate the relationship between elements of CQ and cross-cultural adjustment.

Findings

– Results of structural equation modelling revealed that collectively all the four aspects of CQ have significant influence on general, interaction and work adjustment, particularly motivational and cognitive CQ. Cognitive CQ which empowers the expatriates with in-depth knowledge about different cultures was a significant predictor of interaction and work adjustment, whereas, motivational CQ is a significant predictor for general and work adjustment. However, no support was gathered for meta-cognitive and behavioural aspects of CQ.

Practical implications

– Globally, construction companies and projects are entering an era of increased internationalisation which has prompted the migration/promotion of British construction professionals to different parts of the world for their specialised capabilities and skills. Thus, it is of utmost importance that these professionals adjust to their new world of varied culture and still be productive in their work.

Originality/value

– An understanding of these essential factors can actually help British construction organisations to select and mentor individuals and to provide necessary training for successful international assignments.
The problem of rape in India: a multi-dimensional analysis
Authors: R. Sharma Radha , Pardasani Rupali , Nandram Sharda
Published: May 2014

Purpose

– The purpose of this paper is to analyse the problem of “Rape” in India from multiple perspectives and recommend measures for mitigating this crime from the country. Using the much highlighted incident of gang rape of a 23-year-old woman in Delhi, India on 16 December 2012, the paper analyses the behaviour of the various parties involved in the case with the help of some sociological and psychological theories.

Design/methodology/approach

– A structured investigation through the technique of root cause analysis was applied to the gang rape case of 16 December 2012 to identify the true cause of the problem of rape and suggest the actions necessary to eliminate such reoccurrences in future.

Findings

– The analysis of the problem of rape in general and the gang rape case in particular presented numerous causes for this problem. Considering the complexity of question the authors have presented a multi-dimensional response to this problem.

Research limitations/implications

– Due to the sensitive nature of subject matter under study this research paper is limited by use of secondary data to conduct root cause analysis.

Social implications

– Despite the fact that rape is regarded heinous and criminal in nature, the number and the level of inhumanity of this crime has been on a rise. Therefore, the subject matter is very important and topical. The paper makes theoretical and practical contribution on a least researched subject of crime against women in the form of rape. Many benefits could accrue from such multi-dimensional analysis of the rape case. A better understanding of the motivation behind the rape would probably result in taking measures to prevent the problem.

Originality/value

– Though multifarious views exist regarding rape and allied crimes, the studies are dispersed in nature and need a holistic integration to delve deeper into the causes and consequents of rape. This paper not only integrates diverse perspectives but also explores the multi-dimensional causes of the phenomenon of rape.