bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ligands Modulate Reaction Pathway in the Hydrogenation of 4‐Nitrophenol Catalyzed by Gold Nanoclusters
Authors: Nasaruddin Ricca Rahman , Chen Tiankai , Li Jingguo , Goswami Nirmal , Zhang Jiaguang , Yan Ning , Xie Jianping 
Published: September 2017

AbstractProtective ligands are key components of ligand‐protected metal nanoclusters (NCs), as they offer good stability and multiple functionalities to the metal NCs in solution. Herein, we demonstrated that the ligand landscape on the NC surface could also be used to modulate the catalytic active sites of metal NCs in solution thus to direct the catalytic reaction towards desirable products through a different pathway. We found that thiolate ligands, namely, p‐mercaptobenzoic acid (p‐MBA), in Au25(p‐MBA)18 NCs could influence the reaction pathway in the catalytic hydrogenation of 4‐nitrophenol in solution. In particular, the well‐defined ligand structure of Au25(p‐MBA)18 NCs in solution provided a unique environment for the coadsorption of two substrate molecules (4‐nitrophenol) on the Au NC surface, and this ligand modulation could activate a reaction pathway involving the formation of azobenzene intermediates from the two adsorbed substrate molecules, which are missing in nanogold catalysts without protective ligands. The discovery of this alternative reaction pathway highlights the importance of ligands on nanogold catalysts in modulating their active sites and directing their catalytic reaction pathways in solution and provides good opportunities to tailor the selectivity of ligand‐protected metal NC catalysts.
Ontologies in Process Systems Engineering
Authors: Batres Rafael 
Published: September 2017

AbstractAn overview of the use of ontologies in process systems engineering, which has increased continuously since the early 1990s, is presented. Ontologies have formal semantics that can be exploited when part of the information is missing, enabling engineers and stakeholders to independently develop partial descriptions of the same artifact (product, plant, or process) and check consistency when the descriptions are combined. Likewise, ontologies are useful for generating new conclusions from existing data. Because of their intrinsic foundation in mathematical logic, ontologies provide the structure and semantics for validating information.
Benzothiophene adsorption on M/SBA‐15 and M/SBA‐15/NH4F modified (M = Fe or Co) in liquid phase batch system
Authors: Correia Leandro Marques , Cecilia Juan Antonio , de Luna Francisco Murilo Tavares , Vilarrasa‐García Enrique , Cavalcante Célio Loureiro , Rodríguez‐Castellón Enrique , Vieira Rodrigo Silveira 
Published: September 2017

AbstractIn this study the removal of benzothiophene (BT) from a synthetic solution with n‐octane was evaluated using batch adsorption on modified mesoporous silicas impregnated with iron and cobalt species. The silica was modified to limit the aggregation and enlargement of mesochannels and produce a less ordered structure if compared to SBA‐15. The synthesized adsorbents were characterized by X‐ray diffraction (XRD), N2 adsorption/desorption isotherms at −196 °C, transmission electron microscopy (TEM), and X‐ray photoelectron spectroscopy (XPS). Adsorption equilibrium was investigated using different sulphur concentrations (3–15 mmol/L) and temperatures (30–50 °C). Under optimized conditions, the SBA‐15 sample modified with NH4F containing 10 g/g of Co showed the highest adsorption capacity (0.101 mmol/g), at 30 °C. Thus it may be inferred that these materials are promising for removal of sulphur in low concentrations from liquid fuels.
Near‐Infrared‐Absorbing Metal‐Free Organic, Porphyrin, and Phthalocyanine Sensitizers for Panchromatic Dye‐Sensitized Solar Cells
Authors: Brogdon Phillip , Cheema Hammad , Delcamp Jared H. 
Published: September 2017

AbstractDye‐sensitized solar cells (DSCs) are a promising source of renewable energy. However, the power conversion efficiency (PCE) of devices has been limited largely by the difficulty of producing electricity using photons from the near‐infrared (NIR) spectral region. Metal‐free organic sensitizers frequently employ strong electron‐donating or ‐withdrawing moieties to tune the optical band gap to allow the absorption of lower energy wavelengths in charge‐transfer systems, whereas porphyrins and phthalocyanines use substituents to shift the Soret and Q bands toward lower energy absorption. Very few devices employing precious metal‐free dyes have achieved panchromatic and NIR photon conversion for electricity generation at wavelengths >750 nm despite a tremendous number of sensitizers published over the last 25 years. This Minireview seeks to compile a summary of these sensitizers to encourage assimilation, analysis, and development of efficient future sensitizers with absorption extending into the NIR. Herein, we discuss common synthetic strategies, optical properties, and electronic properties of the most successful panchromatic organic sensitizers.
Electrokinetic motion of a spherical micro particle at an oil−water interface in microchannel
Authors: Wang Chengfa , Li Mengqi , Song Yongxin , Pan Xinxiang , Li Dongqing 
Published: September 2017

AbstractThe electrokinetic motion of a negatively charged spherical particle at an oil−water interface in a microchannel is numerically investigated and analyzed in this paper. A three−dimensional (3D) transient numerical model is developed to simulate the particle electrokinetic motion. The channel wall, the surface of the particle and the oil−water interface are all considered negatively charged. The effects of the direct current (DC) electric field, the zeta potentials of the particle−water interface and the oil−water interface, and the dynamic viscosity ratio of oil to water on the velocity of the particle are studied in this paper. In addition, the influences of the particle size are also discussed. The simulation results show that the micro−particle with a small value of negative zeta potential moves in the same direction of the external electric field. However, if the zeta potential value of the particle−water interface is large enough, the moving direction of the particle is opposite to that of the electric field. The velocity of the particle at the interface increases with the increase in the electric field strength and the particle size, but decreases with the increase in the dynamic viscosity ratio of oil to water, and the absolute value of the negative zeta potentials of both the particle−water interface and the oil−water interface. This work is the first numerical study of the electrokinetic motion of a charged particle at an oil−water interface in a microchannel.
Transformative Empowerment Evaluation and Freirean Pedagogy: Alignment With an Emancipatory Tradition
Authors: Fetterman David 
Published: September 2017

AbstractEmpowerment evaluation and Freirean pedagogy share a common emancipatory tradition. These approaches help people learn to confront the status quo, by questioning assumptions and prescribed roles, unpacking myths, rejecting dehumanization, and no longer blindly accepting the “truth” about how things are or can be. They help people think critically about the world around them.
Primary Osteoporosis Is Not Reflected by Disease-Specific DNA Methylation or Accelerated Epigenetic Age in Blood
Authors: Fernandez-Rebollo Eduardo , Eipel Monika , Seefried Lothar , Hoffmann Per , Strathmann Klaus , Jakob Franz , Wagner Wolfgang 
Published: September 2017

ABSTRACT

Osteoporosis is an age-related metabolic bone disease. Hence, osteoporotic patients might suffer from molecular features of accelerated aging, which is generally reflected by specific age-associated DNA methylation (DNAm) changes. In this study, we analyzed genomewide DNAm profiles of peripheral blood from patients with manifest primary osteoporosis and non-osteoporotic controls. Statistical analysis did not reveal any individual CG dinucleotides (CpG sites) with significant aberrant DNAm in osteoporosis. Subsequently, we analyzed if age-associated DNAm patterns are increased in primary osteoporosis (OP). Using three independent age-predictors we did not find any evidence for accelerated epigenetic age in blood of osteoporotic patients. Taken together, osteoporosis is not reflected by characteristic DNAm patterns of peripheral blood that might be used as biomarker for the disease. The prevalence of osteoporosis is age-associated—but it is not associated with premature epigenetic aging in peripheral blood. © 2017 American Society for Bone and Mineral Research.
The synonymous nucleotide substitution RHD 1056C>G alters mRNA splicing associated with serologically weak D phenotype
Authors: Chun Sejong , Yun Jae Won , Park Geon , Cho Duck 
Published: September 2017

BackgroundD antigen is one of the most clinically significant blood group antigens. Variation of the RHD gene can cause weak D or partial D phenotypes. While most variations are missense substitutions with amino acid changes, those without are called “silent” or “synonymous” substitutions. Synonymous substitutions often have little effect on the protein, not altering the phenotype. However, effect on splicing can affect end‐product protein. We report a new synonymous variation, RHD 1056C>G, that resulted in weak D phenotype, and predicted its effect with various in silico methods.MethodsSerologic testing of the D antigen with full sequencing of the RHD gene was done. Human Splice Finder was used to predict the effect of this variation, and validation of this method was done with all known RHD variations reported in the literature.ResultsRHD 1056C>G was predicted to cause the formation of an exonic splicing silencer (ESS) site. The creation of new ESS site potentially inhibits the splicing event, resulting alteration of splicing. This is similar to remodeling of splice acceptor or donor site, as this kind of deep exonic variation could affect the D antigen's quality or quantity. This is in concordance with serologic results, which showed only delayed weak agglutination to anti‐D reagents.ConclusionsThe analytic methods we applied showed good correlation with the actual phenotype, along with concordant results when analyzing other known variants reported in the literature. We conclude that RHD 1056C>G results in serologic weak D phenotype.
Model‐Based Assessment Using Conventional Bioequivalence Limits to Ensure Safety and Efficacy of Rivaroxaban in Patients Undergoing Hip or Knee Replacement
Authors: González‐Sales Mario , Fang Lanyan , Kim Myong‐Jin , Zhao Liang 
Published: September 2017

AbstractWe evaluated whether the current bioequivalence limit is adequate to ensure safety and efficacy of rivaroxaban in patients under total hip arthroplasty and total knee arthroplasty based on its model informed benefit/risk profile. Clinical data from a total of 7145 patients from 3 phase 2 and 4 phase 3 clinical trials were included in the current model‐based exposure‐response analysis. The relationships between rivaroxaban exposure measurements (ie, minimum or trough, maximum, average concentration, and area under the concentration–time curve [AUC] at steady state) and clinical outcomes (ie, the probabilities of major bleeding [MB] and venous thromboembolism [VTE]) were modeled using NONMEM 7.3. Model evaluation was performed using predictive checks and nonparametric bootstrap. Simulations were conducted to assess the study objectives. A shallow relationship was observed between explored exposure measurements within the tested dose range and the probability of VTE following rivaroxaban treatment. Trough concentrations were found to be a statistically significant predictor of the probability of MB. This relationship was better described using a power function. Model validation confirmed model adequacy. Based on the simulations results, the relative risk of MB of a hypothetical test product (with 20% change in AUC) will not statistically differ from the brand name drug. Twenty percent AUC variations do not change the relative risk of MB and is unlikely to compromise efficacy of therapy. A generic drug of rivaroxaban passing the typical bioequivalence assessment is expected to have similar safety and efficacy as the brand name drug.
The effect of furfural and 5‐hydroxymethyl furfural on butyric acid fermentation by Clostridium tyrobutyricum
Authors: Liu Ying , Geng Yingxi , Zhou Quan , Yuan Wenqiao 
Published: September 2017

AbstractBACKGROUNDPotential inhibitory effects of byproducts from lignocellulosic hydrolysis process, including furfural and 5‐hydroxymethyl furfural (HMF), on butyric acid fermentation by Clostridium tyrobutyricum were studied by adding furfural (0, 0.3, 0.6, 0.9 and 1.2 g L‐1) and HMF (0, 0.6, 1.2, 1.8 and 2.4 g L‐1) separately into the xylose medium.RESULTSIncreases in furfural or HMF concentration led to reduced butyric acid productivity. Delays on cell growth and xylose consumption were also noticed with increasing concentrations of furfural and HMF. Complete inhibition of C. tyrobutyricum fermentation was observed at 1.2 g L‐1 of furfural, while HMF showed less severe effects, and that C. tyrobutyricum could tolerate up to 2.4 g L‐1 of HMF. Both furfural and HMF could be metabolized by C. tyrobutyricum.CONCLUSIONFurfural at concentrations higher than 0.3 g L‐1 and HMF at concentrations higher than 0.6 g L‐1 can significantly inhibit the butyric acid fermentation of C. tyrobutyricum, and furfural had more severe effects in terms of cell growth and metabolisms. © 2017 Society of Chemical Industry
The ambivert: A failed attempt at a normal personality
Authors: Davidson Ian J. 
Published: September 2017

AbstractRecently, attention has been drawn toward an overlooked and nearly forgotten personality type: the ambivert. This paper presents a genealogy of the ambivert, locating the various contexts it traversed in order to highlight the ways in which these places and times have interacted and changed—ultimately elucidating our current situation. Proposed by Edmund S. Conklin in 1923, the ambivert only was meant for normal persons in between the introvert and extravert extremes. Although the ambivert could have been taken up by early personality psychologists who were transitioning from the study of the abnormal to the normal, it largely failed to gain traction. Whether among psychoanalysts, psychiatrists, or applied and personality psychologists, the ambivert was personality non grata. It was only within the context of Eysenck's integrative view of types and traits that the ambivert marginally persisted up to the present day and is now the focus of sales management and popular psychology.
Design, Synthesis, and Trypanocidal Activity of Novel 5‐Nitroimidazolyl O‐Benzyloxime Ethers
Authors: Carvalho Samir Aquino , Osorio Luis Felipe Baumotte , Salomão Kelly , de Castro Solange Lisboa , Wardell Solange M. S. V. , Wardell James Lewis , da Silva Edson Ferreira , Fraga Carlos Alberto Manssour 
Published: September 2017

In this paper, we describe the synthesis and the action against of the trypomastigote form of Trypanosoma cruzi of a new class of nitroimidazole‐2‐carbaldehyde O‐benzyloximes. These derivatives were designed through the application of molecular hybridization concept between two potent antiprotozoal compounds, the 5‐nitrothiophene‐2‐carbaldehyde O‐oxime 6 and the trypanocidal piperidinyl‐4‐carbaldehyde O‐benzyloxime 7 with the intention of reaching two distinct molecular targets of T. cruzi. The activity of these benzyl ether derivatives was tested against the infective trypomastigote forms of T. cruzi, and the derivative (E)‐1‐methyl‐5‐nitro‐1H‐imidazole‐2‐carbaldehyde O‐(4‐nitrobenzyl) oxime (1) presented moderate trypanocidal activity (IC50 = 12.7 μM) when compared with the standard drug benznidazole, which showed to be a good starting point for the design of more effective trypanocide agents.
Current (Food) Allergenic Risk Assessment: Is It Fit for Novel Foods? Status Quo and Identification of Gaps
Authors: Mazzucchelli Gabriel , Holzhauser Thomas , Cirkovic Velickovic Tanja , Diaz‐Perales Araceli , Molina Elena , Roncada Paola , Rodrigues Pedro , Verhoeckx Kitty , Hoffmann‐Sommergruber Karin 
Published: September 2017

AbstractFood allergies are recognized as a global health concern. In order to protect allergic consumers from severe symptoms, allergenic risk assessment for well‐known foods and foods containing genetically modified ingredients is installed. However, population is steadily growing and there is a rising need to provide adequate protein‐based foods, including novel sources, not yet used for human consumption. In this context safety issues such as a potential increased allergenic risk need to be assessed before marketing novel food sources. Therefore, the established allergenic risk assessment for genetically modified organisms needs to be re‐evaluated for its applicability for risk assessment of novel food proteins. Two different scenarios of allergic sensitization have to be assessed. The first scenario is the presence of already known allergenic structures in novel foods. For this, a comparative assessment can be performed and the range of cross‐reactivity can be explored, while in the second scenario allergic reactions are observed toward so far novel allergenic structures and no reference material is available. This review summarizes the current analytical methods for allergenic risk assessment, highlighting the strengths and limitations of each method and discussing the gaps in this assessment that need to be addressed in the near future.
Medical marijuana in pediatric oncology: A review of the evidence and implications for practice
Authors: Ananth Prasanna , Reed‐Weston Anne , Wolfe Joanne 
Published: September 2017

AbstractMedical marijuana (MM) has become increasingly legal at the state level and accessible to children with serious illness. Pediatric patients with cancer may be particularly receptive to MM, given purported benefits in managing cancer‐related symptoms. In this review, we examine the evidence for MM as a supportive care agent in pediatric oncology. We describe the current legal status of MM, mechanism of action, common formulations, and potential benefits versus risks for pediatric oncology patients. We offer suggestions for how providers might approach MM requests. Throughout, we comment on avenues for future investigation on this growing trend in supportive care.
ReliaCloud‐NS: A scalable web‐based simulation platform for evaluating the reliability of cloud computing systems
Authors: Snyder Brett , Green Robert C. , Devabhaktuni Vijay , Alam Mansoor 
Published: September 2017

SummaryThis paper discusses the implementation, architecture, and use of a graphical web‐based application called ReliaCloud‐NS that allows users to (1) evaluate the reliability of a cloud computing system (CCS) and (2) design a CCS to a specified reliability level for both public and private clouds. The software was designed with a RESTful application programming interface for performing nonsequential Monte Carlo simulations to perform reliability evaluations of a CCS. Simulation results are stored and presented to the user in the form of interactive charts and graphs from within a web browser. The software contains multiple types of CCS components, simulations, and virtual machine allocation schemes. ReliaCloud‐NS also contains a novel feature that evaluates CCS reliability across a range of varying virtual machine allocations and establishes and graphs a CCS reliability curve. This paper discusses the software architecture, the interactive web‐based interface, and the different types of simulations available in ReliaCloud‐NS and presents an overview of the results generated from a simulation.
Fluorescence‐Guided Surgery in the Combined Treatment of Peritoneal Carcinomatosis from Colorectal Cancer: Preliminary Results and Considerations
Authors: Lieto Eva , Auricchio Annamaria , Cardella Francesca , Mabilia Andrea , Basile Nicoletta , Castellano Paolo , Orditura Michele , Galizia Gennaro 
Published: September 2017

AbstractBackgroundIndocyanine green (ICG) is a near‐infrared fluorescent contrast agent, which preferentially accumulates in cancer tissue. The aim of our study was to investigate the role of fluorescence imaging (FI) with ICG (ICG‐FI) for detecting peritoneal carcinomatosis (PC) from colorectal cancer (CRC).MethodsFour CRC patients with PC scheduled for cytoreductive surgery + hyperthermic intraperitoneal chemotherapy were enrolled in this prospective study. At a median time of 50 min after 0.25 mg/kg ICG injected intravenously, intraoperative ICG‐FI using Fluobeam® was performed in vivo and ex vivo on all specimens. The Peritoneal Cancer Index was used to estimate the likelihood of complete cytoreduction.ResultsNo severe complications were recorded. ICG‐FI took a median of 20 min (range 10–30, IQR 15–25). Sixty‐nine nodules were harvested. Fifty‐two nodules had been diagnosed preoperatively by conventional imaging (n = 30; 43%) or intraoperatively by visual inspection/palpation (n = 22; 32%). With ICG‐FI, 47 (90%) nodules were hyperfluorescent, and five hypofluorescent. Intraoperative ICG‐FI identified 17 additional hyperfluorescent nodules. On histopathology, 16 were metastatic nodules. Sensitivity increased from 76.9%, with the conventional diagnostic procedures, to 96.9% with ICG‐FI. The positive predictive value of ICG‐FI was 98.4%, and test accuracy was 95.6%. Diagnostic performance of ICG‐FI was significantly better than preoperative (p = 0.027) and intraoperative conventional procedures (p = 0.042). The median PCI score increased from 7 to 10 after ICG‐FI (p < 0.001).ConclusionsOur results suggest that intraoperative ICG‐FI can improve outcomes in patients undergoing CS for PC from CRC. Further studies are needed to determine the role of ICG‐FI in this patient population.
Recombinant Parathyroid Hormone Versus Usual Care: Do the Outcomes Justify the Cost?
Authors: Chomsky‐Higgins Kathryn H. , Rochefort Holly M. , Seib Carolyn D. , Gosnell Jessica E. , Shen Wen T. , Duh Quan‐Yang , Suh Insoo 
Published: September 2017

AbstractBackgroundHypoparathyroidism is a potential outcome of anterior neck surgery. Commonly it is managed by calcium and vitamin D supplementation in large doses, with attendant side effects. A recombinant human parathyroid hormone (rhPTH) is now available in the USA, offering a potentially more effective treatment. No cost‐effectiveness model investigating this new medication versus standard care has yet been published.MethodsWe constructed a decision analytic model comparing usual care versus rhPTH treatment for postsurgical hypoparathyroidism. Threshold and sensitivity analyses on key parameters were conducted to assess robustness of the model. Costs and health outcomes were represented in US dollars and quality‐adjusted life‐years (QALYs).ResultsThe rhPTH strategy was both more costly and more effective than the usual care (UC) strategy. In the base case, UC cost $37,196 and provided 7.54 QALYs. The rhPTH strategy cost $777,224 and provided 8.46 QALYs for an incremental cost‐effectiveness ratio of $804,378/QALY. As this was above our willingness‐to‐pay of $100,000, treatment with rhPTH was not considered cost‐effective. The model was robust to all other parameters.ConclusionsTo our knowledge, this is the first formal cost‐effectiveness analysis of rhPTH in comparison with UC. Our model suggests that although the new treatment is slightly more effective than UC, the modest gain in quality of life for patients who are reasonably well‐managed by UC does not justify the cost. However, consideration must be given to rhPTH for patients who have failed UC, as the expenditure may be justified in that context.