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Jennifer Smith-Merry, Merrilyn Walton, Judith Healy, Coletta Hobbs
Objective This paper explores how hospital complaints managers react to recommendations for systemic quality reforms by health complaints commissions in response to complaints by patients in Queensland and New South Wales.Methods Semi-structured qualitative interviews were conducted with complaints managers in 17 hospitals. Interview transcripts were then thematically analysed and data on responses to health complaint commissions was organised in relation to Valerie Braithwaite's typology of motivational postures...
October 21, 2016: Australian Health Review: a Publication of the Australian Hospital Association
Meihui Chang, Xiaoyu Chu, Jinzhi Lv, Qingbin Li, Jian Tian, Ningfeng Wu
Pullulanase (EC plays an important role in the specific hydrolysis of branch points in amylopectin. Enhancing its thermostability is required for its industrial application. In this study, rational protein design was used to improve the thermostability of PulB from Bacillus naganoensis (AB231790.1), which has strong enzymatic properties. Three positive single-site mutants (PulB-D328H, PulB-N387D, and PulB-A414P) were selected from six mutants. After incubation at 65°C for 5 min, the residual activities of PulB-D328H, PulB-N387D, and PulB-A414P were 4...
2016: PloS One
Alberto Vanzo
This paper traces the ancestry of a familiar historiographical narrative, according to which early modern philosophy was marked by the development of empiricism, rationalism, and their synthesis by Kant. It is often claimed that this narrative became standard in the nineteenth century because of the influence of Thomas Reid, Kant and his disciples, or German and British idealists. I argue that the narrative became standard at the turn of the twentieth century. Among the factors that allowed it to become standard are its aptness to be adopted by philosophers of the most diverse persuasions, its simplicity and suitability for teaching...
2016: Journal of the History of Ideas
Hui-Hsu Gavin Tsai, Jia-Cheng Hu, Chun-Jui Tan, Yung-Ching Sheng, Chih-Chiang Chiu
The loading of dye sensitizers on a semiconductor is crucial for determining the light harvesting efficiency of dye-sensitizer solar cells (DSSCs). The interfacial properties of dyes adsorbed on TiO2 film such as adsorption configurations and adsorption energy can influence the total amount of dye sensitizers that loads and the stability of a DSSC device. Therefore, it is important to characterize the adsorption properties of dye sensitizers on TiO2 film atomically and electronically to ensure rational structure-based dye design for high-performance DSSCs...
October 20, 2016: Journal of Physical Chemistry. A
Woon Yong Sohn, Valérie Brenner, Eric Gloaguen, Michel Mons
Conformer-selective IR gas phase spectroscopy and high level quantum chemistry methods have been used to characterise the diversity of local NH-π interactions between the π ring of a phenylalanine aromatic residue and the nearby main chain amide groups. The study of model systems shows how the amide NH stretch vibrational features, in the 3410-3460 cm(-1) frequency range, can be used to monitor the strength of these local π H-bonds, which is found to depend on both the backbone conformation and the aromatic side chain orientation...
October 20, 2016: Physical Chemistry Chemical Physics: PCCP
Sonia Fieulaine, Rodolphe Alves de Sousa, Laure Maigre, Karim Hamiche, Mickael Alimi, Jean-Michel Bolla, Abbass Taleb, Alexis Denis, Jean-Marie Pagès, Isabelle Artaud, Thierry Meinnel, Carmela Giglione
Peptide deformylase (PDF) is considered an excellent target to develop antibiotics. We have performed an extensive characterization of a new PDF from the pathogen Streptococcus agalactiae, showing properties similar to other known PDFs. S. agalactiae PDF could be used as PDF prototype as it allowed to get complete sets of 3-dimensional, biophysical and kinetic data with virtually any inhibitor compound. Structure-activity relationship analysis with this single reference system allowed us to reveal distinct binding modes for different PDF inhibitors and the key role of a hydrogen bond in potentiating the interaction between ligand and target...
October 20, 2016: Scientific Reports
Yumiko Mizukoshi, Koh Takeuchi, Misa Arutaki, Yuji Tokunaga, Takeshi Takizawa, Hiroyuki Hanzawa, Ichio Shimada
The thermodynamic properties of a ligand in the bound state affect its binding specificity. Strict binding specificity can be achieved by introducing multiple spatially defined interactions, such as hydrogen bonds and van der Waals interactions, into the ligand-receptor interface. These introduced interactions are characterized by restricted local dynamics and improved surface complementarity in the bound state. In this study, we experimentally evaluated the local dynamics and the surface complementarity of weak-affinity ligands in the receptor-bound state by forbidden coherence transfer analysis in free-bound exchange systems (Ex-FCT), using the interaction between a ligand, a myocyte-enhancer factor 2A (MEF2A) docking peptide, and a receptor, p38α, as a model system...
October 20, 2016: Angewandte Chemie
Yue Lu, Junsi Wang, Niamh McGoldrick, Xiaoneng Cui, Jianzhang Zhao, Colin Caverly, Brendan Twamley, Gearoid M Ó Máille, Bryan Irwin, Robert Conway-Kenny, Sylvia M Draper
"Chemistry-on-the-complex" synthetic methods have allowed the selective addition of 1-ethynylpyrene appendages to the 3-, 5-, 3,8- and 5,6-positions of Ir(III) -coordinated 1,10-phenanthroline via Sonogashira cross-coupling. The resulting suite of complexes has given rise to the first rationalization of their absorption and emission properties as a function of the number and position of the pyrene moieties. Strong absorption in the visible region (e.g. 3,8-substituted Ir-3: λabs =481 nm, ϵ=52 400 m(-1)  cm(-1) ) and long-lived triplet excited states (e...
October 20, 2016: Angewandte Chemie
Amita Trehan, Deepak Bansal, Neelam Varma, Ajay Vora
BACKGROUND: The outcome of malignancies in low- and middle-income countries (LMICs) is hampered owing to numerous factors. Current protocols are complex, demanding supportive care, often not optimally available. We de-escalated the UKALL 2003 protocol to improve the outcome of acute lymphoblastic leukemia (ALL) at our center. METHODS: In 2007-2009, children were treated as per the UKALL 2003 protocol (protocol 1). In 2010 and 2011, a modified version of the UKALL 2003 (protocol 2) was followed...
October 20, 2016: Pediatric Blood & Cancer
Kwang Soo Shin, Sangwoo Kim, Sung Kuk Lee
BACKGROUND: Microbial production of oleochemicals has been actively studied in the last decade. Free fatty acids (FFAs) could be converted into a variety of molecules such as industrial products, consumer products, and fuels. FFAs have been produced in metabolically engineered Escherichia coli cells expressing a signal sequence-deficient acyl-CoA thioesterase I ('TesA). Nonetheless, increasing the expression level of 'TesA seems not to be an appropriate approach to scale up FFA production because a certain ratio of each component including fatty acid synthase and 'TesA is required for optimal production of FFAs...
2016: Biotechnology for Biofuels
Michele Cascardi, Sean Blank, Vikash Dodani
Advancing dating violence (DV) research requires consistent conceptualization and measurement. However, empirical sudies on the measurement of psychological and physical DV perpetration and victimization are uncommon. There were three aims of the current study: (a) to examine the construct validity of psychological and physical DV perpetration and victimization on the Conflict in Adolescent Dating Relationships Inventory (CADRI) and Revised Conflict Tactics Scales (CTS2) using factor analysis; (b) to compare empirically derived DV scales with ones using face valid definitions of psychological and physical DV within each measure; and (c) to compare results obtained from the CADRI with those obtained from the CTS2...
October 19, 2016: Journal of Interpersonal Violence
Jianfei Fu, Lunpo Wu, Mengjie Jiang, Dan Li, Ting Jiang, Zhongwu Hong, Fan Wang, Shuguang Li
BACKGROUND: The features related to the prognosis of patients with mucinous breast cancer (MBC) remain controversial. We aimed to explore the prognostic factors of MBC and develop a nomogram for predicting survival outcomes. METHODS: The Surveillance, Epidemiology, and End Results (SEER) database was searched to identify 139611 women with resectable breast cancer from 1990 to 2007. Survival curves were generated using Kaplan-Meier methods. The 5-year and 10-year cancer-specific survival (CSS) rates were calculated using the Life-Table method...
2016: PloS One
Maria Böhm, Marco Wachtel, Joana G Marques, Natalie Streiff, Dominik Laubscher, Paolo Nanni, Kamel Mamchaoui, Raffaella Santoro, Beat W Schäfer
A vast number of cancer genes are transcription factors that drive tumorigenesis as oncogenic fusion proteins. Although the direct targeting of transcription factors remains challenging, therapies aimed at oncogenic fusion proteins are attractive as potential treatments for cancer. There is particular interest in targeting the oncogenic PAX3-FOXO1 fusion transcription factor, which induces alveolar rhabdomyosarcoma (aRMS), an aggressive cancer of skeletal muscle cells for which patient outcomes remain dismal...
October 17, 2016: Journal of Clinical Investigation
Tatiane Fernandes Farias, Karina da Silva Aguiar, Inajara Rotta, Klezia Morais da Silva Belletti, Juliane Carlotto
Objective: To implement a clinical pharmacy service focused on the comprehensive review of antineoplastic drugs used in therapy of hematological diseases. Methods: An interventional study was conducted in a Brazilian tertiary teaching hospital in two different periods, with and without a clinical pharmacy service, respectively. This service consisted of an antineoplastic prescription validation (analysis of patients' characteristics, laboratory tests, compliance with the therapeutic protocol and with pharmacotechnical parameters)...
July 2016: Einstein
Elisabetta Alberico, Alastair J J Lennox, Lydia K Vogt, Haijun Jiao, Wolfgang Baumann, Hans-Joachim Drexler, Martin Nielsen, Anke Spannenberg, Marek P Checinski, Henrik Junge, Matthias Beller
Ruthenium PNP complex 1a (RuH(CO)Cl(HN(C2H4Pi-Pr2)2)) represents a state-of-the-art catalyst for low-temperature (<100 °C) aqueous methanol dehydrogenation to H2 and CO2. Herein, we describe an investigation that combines experiment, spectroscopy and theory to provide a mechanistic rationale for this process. During catalysis, the presence of two anionic resting states was revealed, Ru-dihydride (3-) and Ru-monohydride (4-) that are deprotonated at nitrogen in the pincer ligand backbone. DFT calculations showed that O- and CH- coordination modes of methoxide to ruthenium compete, and form complexes 4- and 3-, respectively...
October 19, 2016: Journal of the American Chemical Society
Ross D Blundell, Simon J Williams, Samantha D M Arras, Jessica L Chitty, Kirsten L Blake, Daniel J Ericsson, Nidhi Tibrewal, Jurgen Rohr, Y Q Andre E Koh, Ulrike Kappler, Avril A B Robertson, Mark S Butler, Matthew A Cooper, Bostjan Kobe, James A Fraser
Opportunistic fungal pathogens such as Cryptococcus neoformans are a growing cause of morbidity and mortality among immunocompromised populations worldwide. To address the current paucity of antifungal therapeutic agents, further research into fungal-specific drug targets is required. Adenylosuccinate synthetase (AdSS) is a crucial enzyme in the adeosine triphosphate (ATP) biosynthetic pathway, catalyzing the formation of adenylosuccinate from inosine monophosphate and aspartate. We have investigated the potential of this enzyme as an antifungal drug target, finding that loss of function results in adenine auxotrophy in C...
September 9, 2016: ACS Infectious Diseases
Lixin Xia, Jing Wang, Caiqing Ma, Shiwei Wu, Peng Song
The vibrational spectra have been investigated for revealing the comprehensive structure of diferrocenyl-oligothienylene-vinylene complex, stimulated by the excellent experimental reports [group of Casado J. Am. Chem. Soc. 2012, 134, 12, 5675]. The IR and Raman spectra were simulated. It is found that the change of charge distribution and bond length are associated with the variation in the frequencies of specific vibration in infrared spectra for the neutral and radical oxidation states. The theoretical simulation of charge difference density indicate that charge transfer mechanism for neutral and dication states are significant different...
October 19, 2016: Scientific Reports
Xiang Liu, Danijela Gregurec, Joseba Irigoyen, Angel Martinez, Sergio Moya, Roberto Ciganda, Philippe Hermange, Jaime Ruiz, Didier Astruc
Understanding the relationship between the location of nanoparticles (NPs) in an organic matrix and their catalytic performances is essential for catalyst design. Here we show that catalytic activities of Au, Ag and CuNPs stabilized by dendrimers using coordination to intradendritic triazoles, galvanic replacement or stabilization outside dendrimers strongly depends on their location. AgNPs are found at the inner click dendrimer periphery, whereas CuNPs and AuNPs are encapsulated in click dendrimer nanosnakes...
October 19, 2016: Nature Communications
Won-Hee Ryu, Forrest S Gittleson, Julianne M Thomsen, Jinyang Li, Mark J Schwab, Gary W Brudvig, André D Taylor
One of the greatest challenges with lithium-oxygen batteries involves identifying catalysts that facilitate the growth and evolution of cathode species on an oxygen electrode. Heterogeneous solid catalysts cannot adequately address the problematic overpotentials when the surfaces become passivated. However, there exists a class of biomolecules which have been designed by nature to guide complex solution-based oxygen chemistries. Here, we show that the heme molecule, a common porphyrin cofactor in blood, can function as a soluble redox catalyst and oxygen shuttle for efficient oxygen evolution in non-aqueous Li-O2 batteries...
October 19, 2016: Nature Communications
Federica Lanni, Andrea Carotti, Roccaldo Sardella, Antonio Macchiarulo, Lucia Pucciarini, Benedetto Natalini
In the last few decades, there has been a significant increase in the development of chiral compounds. Thus, access to enantiomerically pure compounds is currently a major focus of pharmaceutical research and, in particular, chiral HPLC separations have gained great importance for semi-preparative and industrial isolation of enantiopure compounds. Chemoinformatic procedures as well as molecular modelling and quantum chemistry techniques can be successfully applied to address chirality related problems especially when enantiomerically pure reference standards are missing...
October 18, 2016: Mini Reviews in Medicinal Chemistry
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