bluuebunny/crossref_metadata_2025 huggingface dataset:
Slow Magnetic Relaxation in Condensed versus Dispersed Dysprosium(III) Mononuclear Complexes
Authors: Cosquer Goulven , Pointillart Fabrice , Golhen Stéphane , Cador Olivier , Ouahab Lahcène
Published: April 2013

Reaction of the ligands 4,5‐bis(propylthio)tetrathiafulvalene‐2‐(2‐pyridyl)benzimidazole (L1) and 4,5‐bis(propylthio)tetrathiafulvalene‐2‐(2‐pyridyl)‐3‐(2‐pyridinylmethyl)benzimidazole (L2) with Dy(hfac)3⋅2 H2O (hfac=1,1,1,5,5,5‐hexafluoroacetylacetonate) gave mononuclear complexes [Dy(hfac)3(L1)] (1) and [Dy(hfac)3(L2)] (2). In both compounds the DyIII ion is surrounded by six oxygen and two nitrogen atoms. Complex 1 displays single‐ion magnet (SIM) behaviour only in solution (Δ=12(1) K and τ0=1.9(4)×10−6 s), while complex 2 is a SIM in both solution (Δ=15(2) K and τ0=1.5(3)×10−6 s) and solid state (Δ=17(2) K and τ0=9.5(2)×10−6 s). The SIM behaviour is obtained if the hydrogen bond is broken by dissolution (1 in solution) or by alkylation (2). Multiple relaxation processes were identified for 2 with two competing processes: a fast one in zero field and a slow one for fields higher than 500 Oe. The two processes coexist for intermediate applied magnetic field. Magnetic‐dilution and frozen‐solution measurements led to the conclusion that the origin of these multiple relaxation processes is not due to the property of a single molecule.
Photoelectrochemical Sensor Based on Quantum Dots and Sarcosine Oxidase
Authors: Riedel Marc , Göbel Gero , Abdelmonem Abuelmagd M. , Parak Wolfgang J. , Lisdat Fred
Published: April 2013

In this study, a photobioelectrochemical sensor for the detection of sarcosine is reported. For this purpose, CdSe/ZnS quantum dot (QD) modified electrodes are prepared and the oxygen‐dependent photocurrent is evaluated under illumination. By using sarcosine oxidase (SOD), the photocurrent can be suppressed because of biocatalytic oxygen reduction. For the construction of a sensor, SOD is immobilised on the QDs by means of the polyelectrolyte poly(allylamine hydrochloride) (PAH). Multi‐layer systems have been built up to six bilayers through electrostatic interactions. The assembly can be verified by surface plasmon resonance measurements. By varying the number of layers, the influence of the amount of enzyme on the sensitivity of the sensor can be shown. The [SOD/PAH]6‐layer system results in a signal change of 0.041 % μM−1 in the linear range from 100 μM to 1 mM of sarcosine.
Hepatic Nervous System and Neurobiology of the Liver
Authors: Jensen Kendal Jay , Alpini Gianfranco , Glaser Shannon
Published: April 2013

The liver has a nervous system containing both afferent and efferent neurons that are involved in a number of processes. The afferent arm includes the sensation of lipids, glucose, and metabolites (after eating and drinking) and triggers the nervous system to make appropriate physiological changes. The efferent arm is essential for metabolic regulation, modulation of fibrosis and biliary function and the control of a number of other processes. Experimental models have helped us to establish how: (i) the liver is innervated by the autonomic nervous system; and (ii) the cell types that are involved in these processes. Thus, the liver acts as both a sensor and effector that is influenced by neurological signals and ablation. Understanding these processes hold significant implications in disease processes such as diabetes and obesity, which are influenced by appetite and hormonal signals. © 2013 American Physiological Society.Compr Physiol3:655‐6665, 2013.
One‐Pot Synthesis of Palladium Hollow Nanospheres and Their Enhanced Electrocatalytic Properties
Authors: Yang Liu , Li Zhicheng , Lu Xiaofeng , Tong Yan , Nie Guangdi , Wang Ce
Published: April 2013

A facile soft‐template method to synthesize Pd hollow nanospheres (PHNs) through a one‐pot route in the presence of rhodamine B (RB) at room temperature is demonstrated. RB‐PdCl42− complex formed by an electrostatic interaction is used as sacrificial template, which can self‐degrade to synthesize metal hollow nanostructures. The PdCl42− ions are continually reduced in situ and the hollow nanostructures form gradually. The as‐prepared PHNs are characterized by transmission electron microscopy, high‐resolution transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, X‐ray diffraction, X‐ray photoelectron spectroscopy, and electrochemical measurements. The as‐prepared PHNs exhibit enhanced catalytic activity and durability as electrocatalysts for direct methanol fuel cells and direct formic acid fuel cells.
Micro‐ and Mesoporous Polycyanurate Networks Based on Triangular Units
Authors: Yu Hao , Shen Changjiang , Wang Zhonggang
Published: April 2013

Hyper‐cross‐linked polycyanurate networks (CE‐P1 and CE‐P2) were synthesized by means of thermal self‐cyclotrimerization from two triangular cyanate resin monomers 1,3,5‐tri(4‐cyanatophenyl)benzene and 1,3,5‐tricyanatobenzene, respectively. Interestingly, it was found that CE‐P1 exhibited microporous characteristics and a moderately large BET surface area. The two narrow peaks in the nonlocal density functional theory (NLDFT) curve appeared at 0.57 and 1.01 nm. In contrast, the CE‐P2 sample had a small surface area and broad pore‐size distribution with major pores of around 3.39 nm, which indicated a mesoporous material. The reason for this was interpreted in terms of the geometric configuration, steric hindrance, and reactivity of the cyanate monomers. The adsorptions of CO2, H2, benzene, n‐hexane, and water vapors were investigated by correlating the data with the porosity parameters, chemical structure, and composition of the two networks. The results showed that the vastly distinct pore properties significantly influenced the adsorptions of gases and vapors. In particular, organic vapors such as benzene and n‐hexane tended to be adsorbed on the pore surface owing to their affinity and thereby the adsorption amounts were tightly attached to the surface area of the samples. On the contrary, the hydrophobic nature of polymers made the water molecules preferentially condense within the pores so that the pore size rather than the surface area became the dominant factor influencing the adsorption of water vapor.
Experimental and Computational Investigations of Tautomerism and Fluxionality in PCP‐ and PNP‐Bridged Heavy Chalcogenides
Authors: Elder Philip J. W. , Chivers Tristram , Thirumoorthi Ramalingam
Published: April 2013

The reaction of H2C(PCl2)2 with four equivalents of iPrMgCl produces H2C(PiPr2)2, which was treated with tellurium in boiling toluene, or selenium in toluene at room temperature, to give the monochalcogenides EPiPr2CH2PiPr2 (E = Te, 4a; E = Se, 4b) in high yields. X‐ray structural determinations show that 4a and 4b exist as the CH2 tautomers in the solid state with E–P–C–P dihedral angles of 56.1(2)° and 56.7(1)°, respectively. DFT calculations were carried out for the isolectronic series EPR2CH2PR2 and EPR2NHPR2 (E = Se, Te; R = Me, iPr, tBu, Ph) and for their non‐chalcogenated precursors in order to elucidate the factors that determine the preference for PH tautomers in some PNP‐bridged systems. Compounds 4a and 4b were also characterized by multinuclear (1H, 13C, 31P, 77Se, 125Te) NMR spectroscopy. In solution, 4a exhibits fluxional behavior, which has been investigated by variable‐temperature and variable‐concentration multinuclear NMR spectroscopy. The observed behavior is consistent with an intermolecular tellurium transfer with an activation energy of 21.9 ± 3.2 kJ mol–1; consideration of selenium exchange in 4b indicates a much higher energetic barrier. DFT calculations provide insights into the pathway for the chalcogen exchange process in 4a (ΔE = 20.4 kJ mol–1). The outcome of reactions of 4a with selenium and nBuLi reflects the lability of the P‐Te functionality.
Diethylzinc‐Mediated Addition of 2,2‐Dibromo‐2‐fluoroacetamides to Carbonyl Compounds: Synthesis of α‐Bromo‐α‐fluoro‐β‐hydroxy Amides and/or (Z)‐Fluorovinyl Amides
Authors: Lemonnier Gérald , Poisson Thomas , Couve‐Bonnaire Samuel , Jubault Philippe , Pannecoucke Xavier
Published: April 2013

We describe straightforward routes either to α‐bromo‐α‐fluoro‐β‐hydroxy amides or to (Z)‐α‐fluoroacrylamides starting from aldehydes, ketones or imine and 2,2‐dibromo‐2‐fluoroacetamides. Depending on the nature of the amide, these diethylzinc‐mediated additions to aldehydes, ketones or imine afford selective access either to bromofluorohydrins or to (Z)‐α‐fluoroacrylamides. The corresponding products were obtained in moderate to very good yields and the configurations of both products were confirmed by X‐ray analyses.
Paleointensity results from the late‐Archaean Modipe Gabbro of Botswana
Authors: Muxworthy A. R. , Evans M. E. , Scourfield S. J. , King J. G.
Published: April 2013

Rock‐magnetic and Thellier‐Thellier‐Coe paleointensity results are reported for a new collection of samples from the 2.78 Ga Modipe Gabbro of Botswana. The magnetic properties are very favorable, leading to an unusually high success rate and a well‐constrained result of 36–40 µT (95% confidence interval). We discuss the long‐standing problem of allowing for the enormous differences between the natural and laboratory cooling rates, and apply a temperature‐dependent correction derived from first‐order reversal curve (FORC) data. Whereas pure single‐domain (SD) corrections often lead to quite large decreases in paleointensity estimates (sometimes exceeding 50%), we find a modest increase of about 10%. The Earth's Magnetic Dipole moment in the late Archaean is thereby estimated to have been ∼6×1022 Am2.
Natural immune responses against eight oncogenic human papillomaviruses in the ASCUS‐LSIL Triage Study
Authors: Wilson Lauren E. , Pawlita Michael , Castle Phillip E. , Waterboer Tim , Sahasrabuddhe Vikrant , Gravitt Patti E. , Schiffman Mark , Wentzensen Nicolas
Published: April 2013

Only a subset of women with human papillomavirus (HPV) infections will become seropositive, and the factors influencing seroconversion are not well understood. We used a multiplex serology assay in women with mildly abnormal cytology results to examine seroreactivity to oncogenic HPV genotypes. An unbiased subset of women in the atypical squamous cell of undetermined significance /low‐grade squamous intraepithelial lesion Triage Study provided blood samples at trial enrollment for serological testing. A Luminex assay based on glutathione s‐transferase‐L1 fusion proteins as antigens was used to test seroreactivity against eight carcinogenic HPV genotypes (16, 18, 31, 33, 35, 45, 52 and 58). We analyzed the relationship between seroprevalence in women free of precancer (N = 2,464) and HPV DNA status, age, sexual behavior and other HPV‐related risk factors. The overall seroprevalence was 24.5% for HPV16 L1 and ∼20% for 18L1 and 31L1. Among women free of precancer, seroprevalence peaked in women less than 29 years and decreased with age. Type‐specific seroprevalence was associated with baseline DNA detection for HPV16 (OR = 1.36, 95%CI: 1.04–1.79) and HPV18 (OR = 2.31, 95%CI: 1.61–3.32), as well as for HPV52 and HPV58. Correlates of sexual exposure were associated with increased seroprevalence across most genotypes. Women who were current or former smokers were less likely to be seropositive for all eight of the tested oncogenic genotypes. The multiplex assay showed associations between seroprevalence and known risk factors for HPV infection across nearly all tested HPV genotypes but associations between DNA‐ and serostatus were weak, suggesting possible misclassification of the participants' HPV serostatus.
Optical‐mechanical signatures of cancer cells based on fluctuation profiles measured by interferometry
Authors: Bishitz Yael , Gabai Haniel , Girshovitz Pinhas , Shaked Natan T.
Published: April 2013

We propose to establish a cancer biomarker based on the unique optical‐mechanical signatures of cancer cells measured in a noncontact, label‐free manner by optical interferometry. Using wide‐field interferometric phase microscopy (IPM), implemented by a portable, off‐axis, common‐path and low‐coherence interferometric module, we quantitatively measured the time‐dependent, nanometer‐scale optical thickness fluctuation maps of live cellsin vitro. We found that cancer cells fluctuate significantly more than healthy cells, and that metastatic cancer cells fluctuate significantly more than primary cancer cells. Atomic force microscopy (AFM) measurements validated the results. Our study shows the potential of IPM as a simple clinical tool for aiding in diagnosis and monitoring of cancer. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Charge Density Distribution and Bond Characterization of 2,2′‐Dipyridylamine (Hdpa): A Combined Study of Experiment and Theory
Authors: Wu Lai‐Chin , Lee Gene‐Hsiang , Chen Chien‐Kai , Wang Chih‐Chieh
Published: April 2013

Electron density distribution of 2,2′‐dipyridylamine (Hdpa) is studied by single‐crystal X‐ray diffraction method at 120 K. Structural determination reveals that the conformation ofHdpamolecule is thesyn‐anticonformation caused by the intramolecular N···H‐C hydrogen bond between two pyridine rings. TwoHdpamolecules flock togetherviatwo intermolecular N···H‐N hydrogen bonds to form a dimer. Bond characterization is made in terms of deformation density (Δρ), topological analysis of total electron density based on multipole model and molecular orbital (DFT) calculation. The agreement between experiment and theory is good. The topological properties of bond critical points at C‐C, C‐N, N‐H and C‐H bonds are reasonable and reveal a covalent bond character with the high ρ(rc), negative ∇2ρ(rc) and negative total energy density H((rc) values. A low ρ(rc) and positive ∇2ρ(rc) of bond critical points at N···H bonds reveal a closed‐shell interaction for C‐H···N and N‐H···N hydrogen bonds. The π‐delocalization feature around the pyridine ring is also performed by bond ellipticity (ϵ) and fermi‐hole distribution.
Efficient, Convenient and Mild Three Component Template Preparation and Characterization of Some New Schiff Base Complexes
Authors: Naeimi Hossein , Karshenas Azam
Published: April 2013

A few kinds of novel Schiff base complexes have been prepared by three component reaction of the substituted hydroxyacetophenone with several aliphatic diamines and transition metals such as; Ni(II), Zn(II) and UO2(II) under mild reaction conditions. The products have been afforded with excellent yields and appropriate reaction times. The structure of these ligands has been characterized by their IR, 1H NMR, 13C NMR and MS spectral and physical data.
PHLP2 is essential and plays a role in ciliogenesis and microtubule assembly in Tetrahymena thermophila
Authors: Bregier Cezary , KrzemieŃ‐Ojak Lucja , WŁOga Dorota , Jerka‐Dziadosz Maria , Joachimiak Ewa , Batko Katarzyna , Filipiuk Iwona , ŚMietanka Urszula , Gaertig Jacek , Fabczak StanisŁAw , Fabczak Hanna
Published: April 2013

Recent studies have implicated the phosducin‐like protein‐2 (PHLP2) in regulation of CCT, a chaperonin whose activity is essential for folding of tubulin and actin. However, the exact molecular function of PHLP2 is unclear. Here we investigate the significance of PHLP2 in a ciliated unicellular model, Tetrahymena thermophila, by deleting its single homolog, Phlp2p. Cells lacking Phlp2p became larger and died within 96 h. Overexpressed Phlp2p‐HA localized to cilia, basal bodies, and cytosol without an obvious change in the phenotype. Despite similar localization, overexpressed GFP‐Phlp2p caused a dominant‐negative effect. Cells overproducing GFP‐Phlp2p had decreased rates of proliferation, motility and phagocytosis, as compared to wild type cells or cells overproducing a non‐tagged Phlp2p. Growing GFP‐Phlp2p‐overexpressing cells had fewer cilia and, when deciliated, failed to regenerate cilia, indicating defects in cilia assembly. Paclitaxel‐treated GFP‐Phlp2p cells failed to elongate cilia, indicating a change in the microtubules dynamics. The pattern of ciliary and cytosolic tubulin isoforms on 2D gels differed between wild type and GFP‐Phlp2p‐overexpressing cells. Thus, in Tetrahymena, PhLP2 is essential and under specific experimental conditions its activity affects tubulin and microtubule‐dependent functions including cilia assembly. J. Cell. Physiol. 228: 2175–2189, 2013. © 2013 Wiley Periodicals, Inc.
Therapeutic potential of a pyridoxal‐based vanadium(IV) complex showing selective cytotoxicity for cancer versus healthy cells
Authors: Strianese Maria , Basile Anna , Mazzone Antonio , Morello Silvana , Turco Maria Caterina , Pellecchia Claudio
Published: April 2013

Vanadium compounds can exert anticancer effects, partly due to inhibition of tyrosine phosphatases. Here, we report the effect of N,N′‐ethylenebis (pyridoxylideneiminato) vanadium (IV) complex (Pyr2enV(IV)), that induced 93% and 57% of cell mortality in A375 (human melanoma) and A549 (human lung carcinoma) cells, respectively; the mortality was <24% in other cancer cell lines and in human normal epidermal keratinocytes, lung cells and peripheral blood mononuclear cells. The mechanism of Pyr2enV(IV) effect relied on apoptosis induction; this was triggered by ROS increase, followed by mitochondrial membrane depolarization. Indeed, the addition of N‐acetyl cysteine to cell cultures abated Pyr2enV(IV)‐induced apoptosis. These results disclose the pro‐apoptotic activity of Pyr2enV(IV) and its mechanism, relying on intracellular ROS increase. J. Cell. Physiol. 228: 2202–2209, 2013. © 2013 Wiley Periodicals, Inc.
Evaluation of the sensitivity of the ‘Wiley registry of tandem mass spectral data, MSforID’ with MS/MS data of the ‘NIST/NIH/EPA mass spectral library’
Authors: Oberacher Herbert , Whitley Graeme , Berger Bernd
Published: April 2013

Tandem mass spectral libraries are versatile tools for small molecular identification finding application in forensic science, doping control, drug monitoring, food and environmental analysis, as well as metabolomics. Two important libraries are the ‘Wiley Registry of Tandem Mass Spectral Data, MSforID’ (Wiley Registry MSMS) and the collection of MS/MS spectra part of the 2011 edition of the ‘NIST/NIH/EPA Mass Spectral Library’ (NIST 11 MSMS). Herein, the sensitivity and robustness of the Wiley Registry MSMS were evaluated using spectra extracted from the NIST 11 MSMS library. The sample set was found to be heterogeneous in terms of mass spectral resolution, type of CID, as well as applied collision energies. Nevertheless, sensitive compound identification with a true positive identification rate ≥95% was possible using either the MSforID Search program or the NIST MS Search program 2.0g for matching. To rate the performance of the Wiley Registry MSMS, cross‐validation experiments were repeated using subcollections of NIST 11 MSMS as reference library and spectra extracted from the Wiley Registry MSMS as positive controls. Unexpectedly, with both search algorithms tested, correct results were obtained in less than 88% of cases. We examined possible causes for the results of the cross validation study. The large number of precursor ions represented by a single tandem mass spectrum only was identified as the basic cause for the comparably lower sensitivity of the NIST library. Copyright © 2013 John Wiley & Sons, Ltd.
Human papillomavirus (HPV) E6/E7 mRNA as a triage test after detection of HPV 16 and HPV 18 DNA
Authors: Perez Castro Sonia , Iñarrea Fernández Amparo , Lamas González María José , Sarán Diez María Teresa , Cid Lama Ana , Alvarez Martín María Jesús , Pato Mosquera Mónica , López‐Miragaya Isabel , Estévez Nuria , Torres Piñón Julio , Oña Navarro María
Published: April 2013

High‐risk human papillomavirus (HPV) DNA detection provides high sensitivity but low specificity for moderate‐grade cervical intraepithelial neoplasia or worse histological identification. A prospective study evaluated mRNA testing efficacy for predicting this histological diagnosis in case of HPV 16 and/or 18 DNA detection. A total of 165 endocervical samples harboring HPV 16 and/or 18 DNA were tested with NucliSENS‐EasyQ® HPV E6/E7‐mRNA‐assay (Biomerieux, Marcy l´Etoile, France). Women with cytological alterations were referred to colposcopy (n = 111). Moderate‐grade cervical intraepithelial neoplasia or worse was diagnosed in 25.8% of women presenting atypical squamous cells of undetermined significance or low‐grade squamous intraepithelial lesions and in 89.8% of women with high‐grade squamous intraepithelial lesions. mRNA sensitivity was 81.3% and 84.1%, respectively. Specificity was 52.2%, and 80.0%, respectively. Negative predictive value (NPV) was 88.9% in undetermined or low‐grade squamous lesions. Positive predictive value (PPV) was 97.4% in high‐grade squamous lesions. mRNA reduced colposcopies by 44.3% in undetermined or low‐grade squamous lesions. Direct treatment of mRNA‐positive cases reduced 77.5% of colposcopies in high‐grade squamous lesions. Women without cytological alterations were followed for 18 months (n = 35), and moderate‐grade cervical intraepithelial neoplasia or worse was diagnosed in 34.3%; mRNA sensitivity and specificity were 83.3% and 86.9%, respectively. PPV and NPV were 76.9% and 90.9%, respectively for predicting moderate‐grade cervical intraepithelial neoplasia or worse in 18 months. mRNA reduced the number of visits for follow‐up in 62.2%. In conclusion, NucliSENS‐EasyQ® HPV E6/E7‐mRNA‐assay (Biomerieux) can serve as a triage test in case of HPV 16 and/or 18 DNA detection. J. Med. Virol. 85: 1063–1068, 2013. © 2013 Wiley Periodicals, Inc.
Antiviral therapy of symptomatic HCV‐associated mixed cryoglobulinemia: Meta‐analysis of clinical studies
Authors: Fabrizi Fabrizio , Dixit Vivek , Messa Piergiorgio
Published: April 2013

Hepatitis C virus (HCV) infection may be associated with extra‐hepatic illness including mixed cryoglobulinemia. Evidence on HCV‐related mixed cryoglobulinemia in the non‐transplantation setting exists even if its appropriate management remains unclear. The cornerstone of treatment for symptomatic HCV‐associated mixed cryoglobulinemia is antiviral therapy but little is known about its activity. A systematic review of the literature with a meta‐analysis of clinical studies was performed in order to assess efficacy and safety of combination antiviral therapy for symptomatic HCV‐associated mixed cryoglobulinemia in non‐immunosuppressed individuals. The random effects model of DerSimonian and Laird was used, with heterogeneity and sensitivity analyses. The primary outcome was sustained virological response (as a measure of efficacy), and the secondary outcome was the rate of patients stopping (or dose reducing) antiviral agents (as a measure of tolerability). Ten clinical studies (300 unique patients) were identified; the rate of baseline kidney involvement ranged between 4% and 39%. The summary estimate of frequency of sustained viral response was 0.42 with a 95% confidence interval (CI) of 0.31; 0.54 (random effects model). Significant heterogeneity occurred (P = 0.00001; I2 = 77.6%). Stratified analysis showed higher efficacy in those studies using combination therapy with pegylated—than conventional IFN; the summary estimate of sustained viral response being 0.52 (95% CI, 0.40; 0.63) and 0.32 (95% CI, 0.15; 0.49), respectively. There was good association between viral and clinical response, weighted K 0.634 (95% CI, 0.455; 0.814), by a meta‐analysis at individual level on a subset of reports (n = 3; 74 unique patients). The summary estimate of frequency of patients stopping (or dose reducing) antiviral agents was 0.15 (95% CI, 0.08; 0.21); no heterogeneity occurred (P = 0.05; I2 = 51%). In summary, combination antiviral therapy (pegylated IFN plus ribavirin) gives satisfactory response in more than the half of patients with symptomatic mixed cryoglobulinemia associated with HCV. HCV‐related mixed cryoglobulinemia is uncommon in developed countries and this clearly hampers randomized controlled clinical trials aimed to evaluate efficacy and safety of antiviral therapy in non‐immunosuppressed individuals. J. Med. Virol. 85: 1019–1027, 2013. © 2013 Wiley Periodicals, Inc.
E6 and E7 variants of human papillomavirus‐16 and ‐52 in Japan, the Philippines, and Vietnam
Authors: Ishizaki Azumi , Matsushita Kaori , Hoang Huyen Thi Thanh , Agdamag Dorothy M. , Nguyen Cuong Hung , Tran Vuong Thi , Sasagawa Toshiyuki , Saikawa Kunikazu , Lihana Raphael , Pham Hung Viet , Bi Xiuqiong , Ta Van Thanh , Van Pham Thuc , Ichimura Hiroshi
Published: April 2013

Human papillomavirus (HPV) has several intragenotypic variants with different geographical and ethnic distributions. This study aimed to elucidate the distribution patterns of E6 and E7 (E6/E7) intragenotypic variants of HPV type 16 (HPV‐16), which is most common worldwide, and HPV‐52, which is common in Asian countries such as Japan, the Philippines, and Vietnam. In previous studies, genomic DNA samples extracted from cervical swabs were collected from female sex workers in these three countries and found to be positive for HPV‐16 or HPV‐52. Samples were amplified further for their E6/E7 genes using type‐specific primers and analyzed genetically. Seventy‐nine HPV‐16 E6/E7 genes were analyzed successfully and grouped into three lineages: European (Prototype), European (Asian), and African‐2. The prevalences of HPV‐16 European (Prototype)/European (Asian) lineages were 19.4%/80.6% (n = 31) in Japan, 75.0%/20.8% (n = 24) in the Philippines, and 0%/95.8% (n = 24) in Vietnam. The 109 HPV‐52 E6/E7 genes analyzed successfully were grouped into four lineages, A–D; the prevalences of lineages A/B/C/D were, respectively, 5.1%/92.3%/0%/2.6% in Japan (n = 39), 34.4%/62.5%/0%/3.1% in the Philippines (n = 32), and 15.8%/73.7%/7.9%/2.6% in Vietnam (n = 38). The distribution patterns of HPV‐16 and HPV‐52 lineages in these countries differed significantly (P < 0.000001 and P = 0.0048, respectively). There was no significant relationship between abnormal cervical cytology and either HPV‐16 E6/E7 lineages or specific amino acid mutations, such as E6 D25E, E6 L83V, and E7 N29S. Analysis of HPV‐16 and HPV‐52 E6/E7 genes can be a useful molecular‐epidemiological tool to distinguish geographical diffusion routes of these HPV types in Asia. J. Med. Virol. 85: 1069–1076, 2013. © 2013 Wiley Periodicals, Inc.
Snapshot on drug‐resistance rate and profiles in patients with chronic hepatitis B receiving nucleos(t)ide analogues in clinical practice
Authors: Salpini R. , Alteri C. , Cento V. , Pollicita M. , Micheli V. , Gubertini G. , De Sanctis G.M. , Visca M. , Romano S. , Sarrecchia C. , Andreoni M. , Angelico M. , Parruti G. , Svicher V. , Perno C.F.
Published: April 2013

While the selection of complex HBV drug‐resistance patterns on therapeutic failure can compromise the efficacy of anti‐HBV therapies, recent data show that patients failing treatment without drug‐resistance have a rate of virological success close to drug‐naive patients. The goal of this study is defining, in clinical practice, the burden of drug‐resistance mutations in a cohort of patients treated with anti‐HBV drugs. Prevalence and patterns of drug‐resistance were analyzed by RT‐sequencing in 204 patients infected chronically: 148 experiencing virological rebound (defined as an increase in serum HBV‐DNA > 20 IU/ml after achieving virological success [HBV‐DNA < 20 IU/ml]), and 56 null/partial responders (always detectable serum HBV‐DNA [>20 IU/ml] within 48 weeks of therapy). The highest rate of drug‐resistance was observed in patients experiencing virological rebound (prevalence, 79.1%). Conversely, almost half (46.4%) null/partial responders have no evidence of drug‐resistance. The rate of drug‐resistance was higher in patients treated with lamivudine (76.8% [109/142]) and telbivudine (83.3% [5/6]), followed by adefovir (62.5% [15/24]), and entecavir (52.2% [12/23]). Complex mutational patterns characterized by the co‐presence of rtM204V/I‐rtA181T/V (impairing the efficacy of all anti‐HBV drugs) were detected in four patients (2.7%) with virological rebound. Drug‐resistance is the main cause of failure to therapy in patients experiencing virological rebound, supporting the need of rapid switch to anti‐HBV drugs with higher genetic barrier and potency (entecavir/tenofovir). Conversely, nearly half of null/partial responders shows no evidence of drug‐resistance mutations, maintaining high chance of achieving therapeutic success with the same class of drug. In this setting, genotypic resistance may help in selecting patients still carrying wild‐type viruses, that may take major benefits from antiviral treatment. J. Med. Virol. 85: 996–1004, 2013. © 2013 Wiley Periodicals, Inc.
How does spouse career support relate to employee turnover? Work interfering with family and job satisfaction as mediators
Authors: Huffman Ann H. , Casper Wendy J. , Payne Stephanie C.
Published: April 2013

Employee turnover is a major concern because of its cost to organizations. Although theory supports the influence of nonwork factors on turnover, our understanding of the degree to which nonwork factors relate to actual turnover behavior is not well developed. Using a sample of 5505 U.S. Army officers, we assessed the extent to which spouse career support related to reduced turnover four years later through work interfering with family (WIF) and job satisfaction as mechanisms. Results revealed that spouse career support decreased the odds of turnover, and WIF and job satisfaction sequentially mediated this relationship, with lower WIF and higher job satisfaction reducing the odds of turnover. Practical implications of using family support systems as retention interventions are discussed. Copyright © 2013 John Wiley & Sons, Ltd.
Visual comfort in 2D/3D modes of glasses‐type stereoscopic displays
Authors: Hung‐Shing Chen , Chung‐Cheng Huang , Ronnier Luo
Published: April 2013

In this study, we compared visual comfort in 2D/3D modes of the pattern retarder (PR) and shutter glasses (SG) stereoscopic displays by changing viewing factors and image contents. The viewing factors include ambient illuminance/monitor luminance/background luminance and image contents mainly are determined with different disparity limits. The degrees of 2D/3D visual comfort were investigated by using various combinations of ambient illuminance, monitor luminance, background luminance, and disparity limit. A series of psychological experiments were also performed to compare 2D and 3D viewing experiences for the passive PR and active SG stereoscopic displays and to discover more comfortable conditions under various variable combinations. The experiment results show that the various variable combinations affecting visual comfort in the passive PR and active SG stereoscopic displays were significantly different. Finally, we suggest more comfortable conditions of viewing 2D and 3D images for the PR and SG stereoscopic displays.
On the images of Sobolev spaces under the heat kernel transform on the Heisenberg group
Authors: Radha R. , Thangavelu S. , Naidu D. Venku
Published: April 2013

The aim of this paper is to obtain certain characterizations for the image of a Sobolev space on the Heisenberg group under the heat kernel transform. We give three types of characterizations for the image of a Sobolev space of positive order \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$H^m(\mathbb {H}^n), m\in \mathbb {N}^n,$\end{document} under the heat kernel transform on \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$\mathbb {H}^n,$\end{document} using direct sum and direct integral of Bergmann spaces and certain unitary representations of \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$\mathbb {H}^n$\end{document} which can be realized on the Hilbert space of Hilbert‐Schmidt operators on \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$L^2(\mathbb {R}^n).$\end{document} We also show that the image of Sobolev space of negative order \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$H^{-s}(\mathbb {H}^n), s(>0) \in \mathbb {R}$\end{document} is a direct sum of two weighted Bergman spaces. Finally, we try to obtain some pointwise estimates for the functions in the image of Schwartz class on \documentclass{article}\usepackage{amssymb}\begin{document}\pagestyle{empty}$\mathbb {H}^n$\end{document} under the heat kernel transform.
Interaction of Plasma Polypyrrole Particles with Ionic Solutions
Authors: Gómez Lidia Ma. , Olayo Ma. Guadalupe , Cruz Guillermo J. , González‐Torres Maribel , López Osvaldo G. , De Jesús Carlos
Published: April 2013

This work presents a study about the hydrophilicity and conductivity of plasma polypyrroles (PPy) in contact with solutions of salt concentration similar to human tissues. PPy is a conjugated biocompatible polymer in which the electronic distribution produces partial relocation in contact with different compounds. PPy and PPy doped with iodine (PPy/I) particles of different sizes are being studied as implants in the central nervous system to restore the lost neuronal communication after severe injuries. Particle size, hydrophilicity and conductivity of these polymers are essential in this task. In this work, plasma PPy and PPy/I were synthesized as thin films using low‐pressure, rf, resistive, electrical glow discharges and grounded up to obtain microparticles in the range of neuronal nuclei. The electrical conductivity of particles was studied with the addition of human‐like ionic solutions, particularly with sodium and potassium ions which are part in the ionic transference of electric charges in neuronal membranes.
Synthesis of TiO‐PE Superficial Composites by Plasmas of Titanium Tetraisopropoxide
Authors: Olayo Ma. Guadalupe , Arreola Mirna L. , Cruz Guillermo J. , García‐Rosales Genoveva , González‐Castillo Susana , Gómez Lidia Ma. , González‐Torres Maribel
Published: April 2013

This work presents a study about the synthesis by plasma of organometallic compounds of titanium oxides (TiO) obtained from titanium tetraisopropoxide (TTIP) and water on polyethylene (PE) to form TiO‐PE superficial composites. The objective is the synthesis of TiO nano and meso particles attached on PE supports. The synthesis was carried out by plasma in a vacuum tubular glass reactor at 13.56 MHz, 10−1 mbar and 100–150 W. The accelerated particles in the plasma have the function of separating the organic and inorganic segments of TTIP bonding the TiO particles with PE. The resulting TiO‐PE superficial compounds have agglomerates of spherical and oval organometallic particles with diameter between 50 and 3000 nm as a function of the time of synthesis. The agglomerates contain Ti and C oxides with a tendency to change from film to particles as a function of the energy applied in the synthesis. The contact angles of the superficial composites varied from 40° to 76°.
Analysis of PPAR‐α/γ Activity by Combining 2‐D QSAR and Molecular Simulation
Authors: Vallianatou Theodosia , Lambrinidis George , Giaginis Costas , Mikros Emmanuel , Tsantili‐Kakoulidou Anna
Published: April 2013

In the present study 2D‐QSAR analysis was combined with information on crystallographic data and molecular modeling, in order to investigate dual PPAR‐α/γ activity for a data set of 71 compounds, compiled from literature. Using Multivariate Data Analysis, satisfactory PLS models were generated for each receptor subtype separately. The models were based on simple and easily interpretable drug‐like and constitutional descriptors, while the inclusion of MOLCONN‐Z descriptors in the initial pool of variables had no considerable impact in model predictivity. By simultaneous analysis of both types of activity, a consensus PLS model for dual PPAR‐α/γ activity could be derived, displaying the molecular features, which may lead to a balanced activity. All models were validated by permutation tests, by dividing the data set into training and test sets, as well as by external validation using a blind test set. Detailed inspection of PPAR‐α and PPAR‐γ crystal structures and molecular simulation supported the differentiation of most important descriptors in the separate PLS models, e.g. the higher impact of lipophilicity and bulk descriptors in PPAR‐α and PPAR‐γ activity respectively, as well as the effect of specific structural descriptors. Molecular simulation provided also explanation for the behavior of certain outliers in the PLS models.
Multiple e‐Pharmacophore Modeling Combined with High‐Throughput Virtual Screening and Docking to Identify Potential Inhibitors of β‐Secretase(BACE1)
Authors: Palakurti Ravichand , Sriram Dharmarajan , Yogeeswari Perumal , Vadrevu Ramakrishna
Published: April 2013

β‐Secretase (BACE1) is an aspartate protease involved in the production of amyloid‐β a major peptide responsible for the pathogenesis of Alzheimer’s disease. Given its role in the formation of amyloids leading to Alzheimer’s disease, it has been a major therapeutic target for intervention and has been a challenge in the past and the progress has been very slow. More than hundred crystal structures with inhibitors are available in the protein data bank. Many strategies for drug design have been employed in the design of numerous diverse ligands for this target and many have failed due to undesirable drug properties primarily the inability to cross the blood‐brain barrier. In the present work we attempted to consider multiple crystal structures with bound inhibitors showing affinity in the range of 2–210 nM efficacy and optimize the pharmacophoric requirement based on the energy involved in binding termed as e‐pharmacophore mapping. A high throughput screening combined with molecular docking, ADMET predictions, logP values and in vitro assay led to the identification of 7 potential compounds showing inhibition at 10µM which could be further developed as novel inhibitors for β‐secretase.
Experimentally and computationally fast method for estimation of a mean kurtosis
Authors: Hansen Brian , Lund Torben E. , Sangill Ryan , Jespersen Sune Nørhøj
Published: April 2013

Purpose

Results from several recent studies suggest the magnetic resonance diffusion‐derived metric mean kurtosis (MK) to be a sensitive marker for tissue pathology; however, lengthy acquisition and postprocessing time hamper further exploration. The purpose of this study is to introduce and evaluate a new MK metric and a rapid protocol for its estimation.

Methods

The protocol requires acquisition of 13 standard diffusion‐weighted images, followed by linear combination of log diffusion signals, thus avoiding nonlinear optimization. The method was evaluated on an ex vivo rat brain and an in vivo human brain. Parameter maps were compared with MK estimated from a standard diffusion kurtosis imaging (DKI) data set comprising 160 diffusion‐weighted images.

Results

The new MK displays remarkably similar contrast to MK, and the proposed protocol acquires the necessary data in less than 1 min for full human brain coverage, with a postprocessing time of a few seconds. Scan–rescan reproducibility was comparable with MK.

Conclusion

The framework offers a robust and rapid method for estimating MK, with a protocol easily adapted on commercial scanners, as it requires only minimal modification of standard diffusion‐weighting protocols. These properties make the method feasible in practically any clinical setting.
Numerical smoothness and error analysis on WENO for the nonlinear conservation laws
Authors: Sun Tong
Published: April 2013

In this study, we give an a posteriori error analysis on the weighted essentially nonoscillatory schemes for the nonlinear scalar conservation laws. This analysis is based on the new concept of numerical smoothness, with some new error analysis mechanisms developed for the finite difference and finite volume discretizations. The local error estimate is of optimal order in space and time. The global error estimate grows linearly in time, because of the direct application of the L1 ‐contraction between entropy solutions in the error propagation analysis. As a beginning, we only deal with smooth solutions in this article. Within the same error propagation framework, when we deal with piecewise smooth solutions later, we only need to work on estimating the local error where smoothness is lost. The smoothness indicators not only serve the purpose of local error estimation, but also serve as a monitor on both the possible numerical instability and the expected solution shapening. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2013
Designed to Disperse
Authors: Adams Geoff , Thöniß Thomas , Gerhard Christoph
Published: April 2013

Optical emission spectroscopy is a widely recognised and well‐established tool in a number of different branches of science. In this contribution, simple modelling of imaging prism and grating spectrometers using optical design software as well as a comparison of both principles are presented. Further, basic considerations on the design of such spectrometers and a transfer lens for imaging a given light source onto the spectrometer are presented.
Optics and Lenses — How to Find the Best Fit
Authors: Linkemann Joachim
Published: April 2013

How do you find the right lens for a particular task? What should you consider when selecting the correct connectors? In which way do focal length and f‐number of the lens influence your photographs? The following tutorial explains what you should take into account in terms of optics and lenses to avoid the agony of choice.
Applying SBARD to electronic notes, letters and reports in old age psychiatry
Authors: de Silva Prasanna N
Published: April 2013

The SBARD communication system is recommended by the NHS Institute for Innovation and Improvement for use in electronic documentation, letters and reports. Here, Dr de Silva describes how his Old Age Psychiatry team in Whitby applied SBARD and the resulting effect on quality of documentation.
Toxic levels of clozapine in a patient with acute urethritis
Authors: Yadav Devender Singh , Singh Sandeep
Published: April 2013

Acute infection has been shown in some case reports to cause serum clozapine to rise to toxic levels. Here, Drs Yadav and Singh report the case of a patient with treatment‐resistant schizophrenia who developed toxic levels of serum clozapine during a bout of acute urethritis.
What do we know about depression in people with epilepsy?
Authors: Muzerengi Sharon , Moor Carl‐Christian
Published: April 2013

There is a high prevalence of depression in epilepsy; however, this comorbidity remains under‐recognised and undertreated. Here, Dr Muzerengi and Dr Moor discuss the characteristics, assessment and management of depression in people with epilepsy.
Preferential cross‐coupling of naphthol derivatives mediated by copper(II)
Authors: Koščová Simona , Roithová Jana , Hodačová Jana
Published: April 2013

Preferential cross‐coupling of differently N‐substituted amides of 3‐hydroxy‐2‐naphthoic acids 1 and 2 catalyzed by Cu(OH)Cl•TMEDA was observed. The reaction mechanism was investigated using mass spectrometry tools. It was shown that the complexation properties of the N‐substituent significantly influence the properties of the corresponding copper complexes of the deprotonated compounds ([(1‐H)Cu(TMEDA)]+ and [(2‐H)Cu(TMEDA)]+). Analysis of the fragmentation patterns of the copper complexes revealed that while the former is prone to the one electron oxidation of (1‐H)ˉ, the latter has a larger binding energy between (2‐H)ˉ and copper(II). Interplay between the abundance of the copper complexes and their reactivities explains the preferential cross‐coupling. The results are further supported by exploratory density functional theory calculations. Copyright © 2013 John Wiley & Sons, Ltd.
Changes in health‐related quality of life by occupational status among women diagnosed with breast cancer—a population‐based cohort study
Authors: Lundh Marie Høyer , Lampic Claudia , Nordin Karin , Ahlgren Johan , Bergkvist Leif , Lambe Mats , Berglund Anders , Johansson Birgitta
Published: April 2013

Objective

To investigate whether longitudinal changes in health‐related quality of life (HRQoL) among breast cancer patients vary by prediagnosis occupational status or postdiagnosis changes in working time.

Methods

We identified 1573 patients in the Breast Cancer Quality Register of Central Sweden and asked them to participate in a longitudinal questionnaire study. A total of n = 841 women completed three questionnaires within a mean time of 4, 16, and 38 months postdiagnosis. Generalized estimating equation models were used to examine changes in European Organization for Research and Treatment of Cancer Quality of Life Questionnaire and the Breast Cancer‐Specific Quality of Life Questionnaire subscales stratified by prediagnosis occupational status and postdiagnosis changes in working time.

Results

Over time, the proportion of employed women reporting good functioning increased more, and the proportion reporting a high level of symptoms decreased more compared with women on sick leave/disability pension and retirement pensioners (p < 0.001). The latter two also showed a worsening in several subscales (p < 0.05). Among employed women, more consistent improvements in role and social functioning were observed among those with an increase/no change in working time than among those who had decreased it or stopped working (p < 0.05). A decrease in the proportion reporting pain was observed among women with an increase/no change in working time compared with women with decreased working time, among whom the proportion reporting pain increased (p = 0.008).

Conclusions

Being employed prediagnosis and resuming work to the same extent as prior to the breast cancer diagnosis are associated with consistent improvements in HRQoL. These results highlight the importance of interventions to improve HRQoL and policies to support return to work following diagnosis. Copyright © 2013 John Wiley & Sons, Ltd.
Crystal structure of the S187F variant of human liver alanine: Aminotransferase associated with primary hyperoxaluria type I and its functional implications
Authors: Oppici Elisa , Fodor Krisztian , Paiardini Alessandro , Williams Chris , Voltattorni Carla Borri , Wilmanns Matthias , Cellini Barbara
Published: April 2013

The substitution of Ser187, a residue located far from the active site of human liver peroxisomal alanine:glyoxylate aminotransferase (AGT), by Phe gives rise to a variant associated with primary hyperoxaluria type I. Unexpectedly, previous studies revealed that the recombinant form of S187F exhibits a remarkable loss of catalytic activity, an increased pyridoxal 5′‐phosphate (PLP) binding affinity and a different coenzyme binding mode compared with normal AGT. To shed light on the structural elements responsible for these defects, we solved the crystal structure of the variant to a resolution of 2.9 Å. Although the overall conformation of the variant is similar to that of normal AGT, we noticed: (i) a displacement of the PLP‐binding Lys209 and Val185, located on the re and si side of PLP, respectively, and (ii) slight conformational changes of other active site residues, in particular Trp108, the base stacking residue with the pyridine cofactor moiety. This active site perturbation results in a mispositioning of the AGT‐pyridoxamine 5′‐phosphate (PMP) complex and of the external aldimine, as predicted by molecular modeling studies. Taken together, both predicted and observed movements caused by the S187F mutation are consistent with the following functional properties of the variant: (i) a 300‐ to 500‐fold decrease in both the rate constant of L‐alanine half‐transamination and the kcat of the overall transamination, (ii) a different PMP binding mode and affinity, and (iii) a different microenvironment of the external aldimine. Proposals for the treatment of patients bearing S187F mutation are discussed on the basis of these results. Proteins 2013; 81:1457–1465. © 2013 Wiley Periodicals, Inc.