bluuebunny/crossref_metadata_2025_split huggingface dataset:
Topologically protected interface mode in plasmonic waveguide arrays
Authors: Cheng Qingqing , Pan Yiming , Wang Qianjin , Li Tao , Zhu Shining 
Published: June 2015

AbstractRecent realization of nontrivial topological phases in photonic systems has provided unprecedented opportunities in steering light flow in novel manners. Based on the Su–Schriffer–Heeger (SSH) model, a topologically protected optical mode was successfully demonstrated in a plasmonic waveguide array with a kinked interface that exhibits a robust nonspreading feature. However, under the same excitation conditions, another antikinked structure seemingly cannot support such a topological interface mode, which appears to be inconsistent with the SSH model. Theoretical calculations are carried out based on the coupled‐mode theory, in which the mode properties, excitation conditions, and the robustness are studied in detail. It is revealed that under the exact eigenstate excitations, both kinked and antikinked structures do support such robust topological interface modes; however, for a realistic single‐waveguide input only the kinked structure does so. It is concluded that the symmetry of interface eigenmodes plays a crucial role, and the odd eigenmode in a kinked structure offers the capacity to excite the nonspreading interface mode in the realistic excitation of a one‐waveguide input. Our finding deepens the understanding of mode excitation and propagation in coupled waveguide systems, and could open a new avenue in optical simulations and photonic designs.
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On the Homogeneity of Metallocene Ethylene–Propylene Copolymers as Investigated by Multiple Fractionation Techniques
Authors: Phiri Mohau Justice , Dimeska Anita , Pasch Harald 
Published: June 2015

The chemical heterogeneity of ethylene–propylene copolymers by multiple fractionation techniques is addressed. Three metallocene copolymer samples with different ethylene contents, ranging from 30 to 50 mol% are analyzed using bulk methods to confirm their molecular heterogeneity. In a second step, the samples are fractionated by temperature rising elution fractionation (TREF) to obtain fractions at 30, 60, 90, and 130 °C. These fractions are subsequently analyzed regarding their thermal and molecular properties. Differential scanning calorimetry, crystallization analysis fractionation, and high‐temperature high performance liquid chromatography (HT‐HPLC) results reveal that the TREF fractions collected at 130 °C are mainly due to polypropylene homopolymer, which is rather unexpected considering the high ethylene contents of the bulk samples. Most importantly, HT‐HPLC reveals a remarkably high chemical heterogeneity of the fractions and thus the bulk samples. Solution13C NMR provides the comonomer contents and sequence distributions of the fractions. These indicate that the same TREF fractions from different samples have distinctively different chemical compositions.image
Pharmacophore‐Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1
Authors: Serrán‐Aguilera Lucía , Nuti Roberto , López‐Cara Luisa C. , Mezo Miguel Á. Gallo , Macchiarulo Antonio , Entrena Antonio , Hurtado‐Guerrero Ramón 
Published: June 2015

AbstractCholine kinase (CK) catalyses the transfer of the ATP γ‐phosphate to choline to generate phosphocholine and ADP in the presence of magnesium leading to the synthesis of phosphatidylcholine. Of the three isoforms of CK described in humans, only the α isoforms (HsCKα) are strongly associated with cancer and have been validated as drug targets to treat this disease. Over the years, a large number of Hemicholinium‐3 (HC‐3)‐based HsCKα biscationic inhibitors have been developed though the relevant common features important for the biological function have not been defined. Here, selecting a large number of previous HC‐3‐based inhibitors, we discover through computational studies a pharmacophore model formed by five moieties that are included in the 1‐benzyl‐4‐(N‐methylaniline)pyridinium fragment. Using a pharmacophore‐guided virtual screening, we then identified 6 molecules that showed binding affinities in the low μM range to HsCKα1. Finally, protein crystallization studies suggested that one of these molecules is bound to the choline and ATP‐binding sites. In conclusion, we have developed a pharmacophore model that not only allowed us to dissect the structural important features of the previous HC‐3 derivatives, but also enabled the identification of novel chemical tools with good ligand efficiencies to investigate the biological functions of HsCKα1.
In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive Models
Authors: Raevsky Oleg A. , Polianczyk Daniel E. , Grigorev Veniamin Yu. , Raevskaja Olga E. , Dearden John C. 
Published: June 2015

Abstract32 Quantitative Structure‐Property Relationship (QSPR) models were constructed for prediction of aqueous intrinsic solubility of liquid and crystalline chemicals. Data sets contained 1022 liquid and 2615 crystalline compounds. Multiple Linear Regression (MLR), Support Vector Machine (SVM) and Random Forest (RF) methods were used to construct global models, and k‐nearest neighbour (kNN), Arithmetic Mean Property (AMP) and Local Regression Property (LoReP) were used to construct local models. A set of the best QSPR models was obtained: for liquid chemicals with RMSE (root mean square error) of prediction in the range 0.50–0.60 log unit; for crystalline chemicals 0.80–0.90 log unit. In the case of global models the large number of descriptors makes mechanistic interpretation difficult. The local models use only one or two descriptors, so that a medicinal chemist working with sets of structurally‐related chemicals can readily estimate their solubility. However, construction of stable local models requires the presence of closely related neighbours for each chemical considered. It is probable that a consensus of global and local QSPR models will be the optimal approach for construction of stable predictive QSPR models with mechanistic interpretation.
Evidence for End‐stage Cannibalism on Sir John Franklin's Last Expedition to the Arctic, 1845
Authors: Mays S. , Beattie O. 
Published: June 2015

AbstractThe 1845 British naval expedition commanded by Sir John Franklin to map the Northwest Passage ended in disaster, with none returning alive from the Canadian Arctic. The 19th century Inuit testimony described cannibalism among Franklin's men in the final throes of the expedition. Such claims were controversial at the time, but were supported in the 1980s and 1990s when knife marks were identified on human remains recovered from expedition sites on King William Island. Survival cannibalism generally follows a sequence in which meat is initially cut from an intact corpse, but if further calories are required, successively greater effort is put into corpse processing. End‐stage cannibalism is characterised by breakage and boiling of bones to extract marrow fat from medullary cavities and cancellous bone. The current work involves re‐examination, using macroscopic and microscopic study, of human remains (representing a minimum of 35 bones) from the Franklin expedition. It describes evidence for breakage and polishing of broken edges of parts of some long bones. These alterations are tentatively interpreted as breakage and heating of bones in water, to facilitate marrow extraction. If this is correct, then it constitutes the first osteological evidence of end‐stage cannibalism among members of the expedition. Comparison of these osteological findings with 19th century Inuit reports provides further evidence supporting the veracity of Inuit descriptions of cannibalistic practices by expedition members. Copyright © 2015 John Wiley & Sons, Ltd.
Global perspectives on clinical adoption of NIPT
Authors: Minear Mollie A. , Lewis Celine , Pradhan Subarna , Chandrasekharan Subhashini 
Published: June 2015

AbstractObjectiveThe goals of this study were to assess global trends in clinical implementation of noninvasive prenatal testing (NIPT), as commercial tests are marketed increasingly worldwide, and to identify potential challenges for current or future use.MethodsWe surveyed clinicians from 46 countries about the availability of NIPT, their experiences with using NIPT, and their views on clinical, ethical, and legal issues affecting implementation in their countries.ResultsForty‐nine respondents from 28 countries completed the survey. The majority reported that NIPT is available in their country (n = 43) and that they offer NIPT in their current practice (n = 38). Eighteen respondents from 14 countries reported that there are plans to introduce NIPT into routine prenatal care in their country. Test prices varied widely, ranging from $350 to $2900, and several respondents observed that high test prices limited or restricted widespread use of NIPT. Responses varied both across and within countries regarding who is offered NIPT and what the overall screening protocol should be.ConclusionThis study provides a snapshot of current use and experiences with NIPT globally. It also highlights differences in service provision that exists both across and within countries, emphasizing the need for developing national and international implementation guidelines for NIPT. © 2015 John Wiley & Sons, Ltd.
Versatile soluble oligomeric styrene supports for peptide synthesis
Authors: Erapalapati Venkataramana , Madhavan Nandita 
Published: June 2015

ABSTRACTSoluble oligomeric styrene supports are reported here with high loading capacities of 1.5–1.6 mmol/g similar to resins used in solid phase peptide synthesis. Oligoether and alkyl chains are incorporated into the scaffold to improve the support solubility and act as spacers between the attachment sites. Amino acids have been attached to the support in 59–85% yields and 0.87–1.3 mmol/g loading. The supports have been used to synthesize tri‐ to hexapeptides in 38–64% yields using only 2 equivalents of coupling reagents, which is much lower than the amount of reagents typically used in solid phase synthesis. A modular synthetic approach is used to obtain the supports so that any efficient styrene‐based attachment site can be readily incorporated into our soluble support scaffold. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 2501–2509
3D‐morphology reconstruction of nanoscale phase‐separation in polymer memory blends
Authors: Khikhlovskyi Vsevolod , van Breemen Albert J. J. M. , Michels Jasper J. , Janssen René A. J. , Gelinck Gerwin H. , Kemerink Martijn 
Published: June 2015

ABSTRACTIn many organic electronic devices functionality is achieved by blending two or more materials, typically polymers or molecules, with distinctly different optical or electrical properties in a single film. The local scale morphology of such blends is vital for the device performance. Here, a simple approach to study the full 3D morphology of phase‐separated blends, taking advantage of the possibility to selectively dissolve the different components is introduced. This method is applied in combination with AFM to investigate a blend of a semiconducting and ferroelectric polymer typically used as active layer in organic ferroelectric resistive switches. It is found that the blend consists of a ferroelectric matrix with three types of embedded semiconductor domains and a thin wetting layer at the bottom electrode. Statistical analysis of the obtained images excludes the presence of a fourth type of domains. The criteria for the applicability of the presented technique are discussed. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1231–1237
Women's beliefs about breast cancer causation in a breast cancer case–control study
Authors: Lizama Natalia , Rogers Pierra , Thomson Allyson , Slevin Terry , Fritschi Lin , Saunders Christobel , Heyworth Jane 
Published: June 2015

AbstractObjectiveOur study sought to ascertain women's beliefs about breast cancer risk factors and whether these beliefs differed by demographic factors and personal and family history of breast cancer.MethodsParticipants in a case–control study of breast cancer rated the effect of 37 exposures on the risk of being diagnosed with breast cancer. Chi‐square tests were undertaken to measure differences in responses between cases and controls for each exposure. Logistic regression was undertaken to ascertain whether demographic factors and personal and family history of breast cancer affected participants' ability to correctly identify known breast cancer risk factors.ResultsA total of 2742 participants completed the questionnaire, comprising 1109 cases and 1633 controls. Significant differences (p < 0.05) between cases and controls were found for 16 of the 37 exposures. Younger women and university‐educated women were more likely to correctly identify known breast cancer risk factors. Women's perceptions about the effect of alcohol consumption on breast cancer risk, particularly regarding red wine, differed from that reported in the literature.ConclusionsBeliefs about risk factors for breast cancer may differ between cases and controls. Public health initiatives aimed at increasing awareness of breast cancer risk factors should consider that women's beliefs may differ by demographic factors and family history of breast cancer. Copyright © 2015 John Wiley & Sons, Ltd.
Goal adjustment influence on psychological well‐being following advanced breast cancer diagnosis
Authors: Lam Wendy W.  T. , Yeo Winnie , Suen Joyce , Ho Wing Ming , Tsang Janice , Soong Inda , Yau Tze Kok , Wong Ka Yan , Sze Wing Kin , Ng Alice W.  Y. , Kwong Ava , Suen Dacita , Fong Daniel , Ho Samuel , Fielding Richard 
Published: June 2015

AbstractObjectiveA diagnosis of advanced breast cancer (ABC) challenges a woman's ambitions. This longitudinal study explored (1) if goal adjustment disposition influenced psychological adjustment patterns among women with ABC and (2) if dispositional hope and optimism moderate effects of goal adjustment on psychological adjustment.MethodsOne hundred ninety three out of 225 women with ABC were assessed while they were awaiting/receiving initial chemotherapy, then again at 6 weeks, 3 months, 6 months, and 12 months post‐baseline. Goal disengagement, goal reengagement, optimism, hope, and psychological adjustment (anxiety, depression, and positive affect) were assessed at baseline; psychological adjustment was reassessed at each follow‐up. Latent growth curve modeling was used to examine the change of psychological adjustment and test the study objectives.ResultsHigh goal disengagement, low reengagement, and high optimism were associated with lower initial anxiety, while high goal disengagement and optimism predicted a slower rate of change in anxiety. High goal disengagement, reengagement, and optimism were associated with lower initial depression. High goal reengagement, optimism, and hope were associated with initial positive affect scores, while optimism predicted its rate of change. Optimism moderated the effect of goal disengagement on anxiety and depression, whereas hope moderated the effect of goal reengagement on positive affect.ConclusionGoal disengagement and reengagement are two relatively independent processes influencing psychological well‐being. These findings will help clinicians to tailor specific interventions to help women coping with the diagnosis of ABC. Copyright © 2015 John Wiley & Sons, Ltd.
Ternary and Multinary Compounds
Authors: Tsuboi Nozomu , Wakita Kazuki , Yamada Akira , Shirakata Sho , Wada Takahiro , Niki Shigeru , Imaizumi Mitsuru , Hara Kazuhiko , Uchitomi Naotaka 
Published: June 2015

AbstractThe 19th International Conference on Ternary and Multinary Compounds (ICTMC‐19) was held on 1–5 September 2014 at Toki Messe, Niigata, Japan. This conference, part of the series of conferences that began in 1973 in Bath, was held traditionally as an interdisciplinary forum for the exchange of information and experience in the exciting field of materials science of ternary and multinary compounds. It was then held in Strasbourg (1975), Edinburgh (1977), Tokyo (1980), Cagliari (1982), Caracas (1984), Snowmass (1986), Kishinev (1990), Yokohama (1993), Stuttgart (1995), Salford (1997), Hsin‐chu (2000), Paris (2002), Denver (2004), Kyoto (2006), Berlin (2008), Baku (2010), and Salzburg (2012). The conference brought together researchers for the discussion of the latest developments and achievements in the field of these complex materials.The scientific program included two plenary talks, 20 invited talks, 13 symposium talks, 50 oral presentations, and 112 poster presentations from the following 15 countries: Japan, Taiwan, Azerbaijan, Germany, Korea, Thailand, USA, Philippines, France, Belgium, China, Mexico, Moldova, Turkey, and UK. Of the papers, 95 are included in the present proceedings volumes of physica status solidi.The Conference covered physics, chemistry, materials science, device engineering, and the growth and theory of various ternary and multinary compounds: chalcopyrite‐type (I–III–VI2, II–IV–V2), kesterite‐type (I2–II–IV–VI4), sphalerite‐type and wurtzite‐type (III–V, II–VI, etc.), perovskite‐type, skutterudite‐type, complex‐oxides, complex‐nitrides, and so on. Three symposiums in the conference were focused on new photovoltaic materials superior to CIGS, advanced characterization of solar cells, and mulitinary materials in the next generation. The Program Committee picked up three young members as the winners of the “Best Young Scientists Award” for their excellent presentations. The winners are Galina Gurieva, Ayaka Kanai, and Tsuyoshi Maeda.The Guest Editors wish to express their gratitude to the members of the International Advisor Committee, the Program Committee, the sponsors, the Japanese Professional Group of Multinary Compounds and Solar Cells in the Japanese Society of Applied Physics, and thank all those who have contributed to this conference for their support and advice. We are very grateful to the referees for their contributions during the editorial process.The next anniversary conference of ICTMC‐20 will be held in Germany, chaired by Prof. Roland Scheer. We convey our best wishes to the organizers for a successful meeting. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
miR-21 Modulates the Immunoregulatory Function of Bone Marrow Mesenchymal Stem Cells Through the PTEN/Akt/TGF-β1 Pathway
Authors: Wu Tingting , Liu Yi , Fan Zhipeng , Xu Junji , Jin Luyuan , Gao Zhenhua , Wu Zhifang , Hu Lei , Wang Jinsong , Zhang Chunmei , Chen Wanjun , Wang Songlin 
Published: June 2015

Abstract
microRNAs (miRNAs) act as regulatory signals for maintaining stemness, self-renewal, and differentiation of mesenchymal stem cells (MSCs), but whether miRNAs modulate the immunoregulatory function of MSCs remains largely unknown. Here, we show that miR-21 negatively regulates the activity of immunoregulatory cytokine transforming growth factor-β1 (TGF-β1) in MSCs. Consistently, bone marrow MSCs (BMMSCs) from miR-21−/− mice show enhanced immunosuppressive function by more TGF-β1 secretion and induce more CD4+Foxp3+ regulatory T cells compared with wild-type BMMSCs in vitro, which anti-TGF-β1 antibody abrogates. Mechanistically, miR-21 inhibits TGF-β1 expression by targeting phosphatase and tensin homolog deleted on chromosome 10 (PTEN) in BMMSCs. Downstream of PTEN, miR-21 promotes activation of Akt, and consequently increases activation of NF-κB pathway. Importantly, adoptive transfer of miR-21−/− BMMSCs into mice with experimental colitis more effectively ameliorates colonic inflammation in a TGF-β1-dependent manner. Thus, these findings indicate a previously uncovered mechanism of miR-21 control immunoregulatory function of BMMSCs through TGF-β1 inhibition. Stem Cells 2015;33:3281–3290
Syntheses, Structures, and Biological Activity of NiII, PdII, and PtII Complexes with New Tetradentate Benzamidine Ligands
Authors: Nguyen Thi Bao Yen , Nguyen Minh Hai , Abram Ulrich , Nguyen Hung Huy 
Published: June 2015

AbstractN‐(Dialkylthiocarbamoyl)benzimidoyl chlorides react with o‐(salicylidenimine)benzylamine with formation of a novel class of tetradentate benzamidine ligands (H2LEt and H2LMorph), which readily react with Ni(CH3COO)2, [PdCl2(CH3CN)2], and [PtCl2(PPh3)2] under formation of complexes of the composition [M(LR)] [M = Ni (4), Pd (5), Pt (6)]. In all complexes, H2LR is doubly deprotonated and bonded to the metal ion via its N2OS donor set and establishes a distorted square‐planar coordination sphere. The antiproliferative effects of the compounds on MCF‐7 and Hep‐G2 cells were studied. The complexes of H2LMorph are generally more active than those of H2LEt. While H2LEt and its complexes exhibit stronger effects on the Hep‐G2 line, the corresponding compounds of H2LMorph show almost equal effects on the two cell lines. In each series of compounds, the cytotoxicity increases in the order H2LR << 4 < 5 < 6.
Single‐Port Endoscopic Thoracic Sympathectomy with Monitored Anesthesia Care: A More Promising Procedure for Palmar Hyperhidrosis
Authors: Ning Ye , Wang Yanan , Tao Xiandong , Tang Hua , Jiang Jingjing , Li Yonghua , Sun Guangyuan , Xue Lei , Zhao Xuewei 
Published: June 2015

AbstractObjectivesThoracic sympathectomy is considered the most effective method to treat palmar hyperhidrosis. We presented a novel procedure for thoracic sympathectomy treating palmar hyperhidrosis which could be performed under monitored anesthesia care. The aim of this study was to evaluate the continuing efficacy and safety of this innovative surgery.MethodFrom May 2011 to May 2014, we performed the single‐port endoscopic thoracic sympathectomy (ETS) with a flexible thoracoscopy in 32 patients under monitored anesthesia care. All patients were followed up until today.ResultsUnder monitored anesthesia, all patients were awake during the procedure. A proper sedation and local anesthesia make it possible for patients to communicate with surgeons. The symptoms disappeared immediately when the sympathectomy was done. No surgical complications occurred during the procedure. All patients were discharged from the hospital on the first morning of postoperative day. Compared with the traditional approach, the advantages of less operative costs, fewer hospital days, and better recovery were suggested.ConclusionsSingle‐port ETS with flexible thoracoscopy under monitored anesthesia is a promising procedure for palmar hyperhidrosis.