bluuebunny/crossref_metadata_2025 huggingface dataset:
Metal‐Organic Frameworks Derived Porous Carbons: Syntheses, Porosity and Gas Sorption Properties
Authors: Pei Xiaokun , Chen Yifa , Li Siqing , Zhang Shenghan , Feng Xiao , Zhou Junwen , Wang Bo
Published: January 2016

Porous carbon materials derived from metal‐organic frameworks (MOFs) have been brought into stage due to the intrinsic advantages of MOFs such as high porosity and tailorable structure diversity, which might provide infinite possibility in producing porous carbons with diverse structures and various decorations. Inherited from MOFs, the porosity in carbon materials is an important factor to evaluate the performances of porous carbons (e.g. gas sorption properties, electrochemical and catalytic behaviors). Factors that affect the porosity of porous carbon materials are mainly focused on the porosity of pristine MOFs, additives and conducting conditions. However, during past decades there were still no systematical reports on the influence factors of porosity in MOFs derived porous carbon materials and corresponding gas sorption properties. In this review, we will summarize the performances of MOF‐derived carbon materials (i.e. non‐doped porous carbons, heteroatoms doped porous carbons, metal/metal oxide decorated porous carbons) and give a detailed discussion about the connections between the properties and four major effects (calcination temperature, loading of additional precursor, post‐synthetic treatment as well as intrinsic properties of MOFs).
„Jetzt geht’s rund“ – Redoxreaktionen in Alginatbällchen
Authors: Ducci Matthias
Published: January 2016

Im Beitrag werden neue, motivierende Experimente zum Themenfeld Redoxreaktionen vorgestellt. Diese laufen in Alginatbällchen ab, in denen einige der Reaktanden eingeschlossen werden. Durch das Eintauchen der Bällchen in verschiedene Medien können z. B. die pH‐Abhängigkeit der Redoxpotentiale einiger Redoxsysteme sowie verschiedene Redoxstufen ein und desselben Redoxsystems optisch eindrucksvoll aufgezeigt werden.
Ticagrelor in Triple Antithrombotic Therapy: Predictors of Ischemic and Bleeding Complications
Authors: Fu Angel , Singh Kuljit , Abunassar Joseph , Malhotra Nikita , Le May Michel , Labinaz Marino , Glover Christopher , Marquis Jean‐Francois , Froeschl Michael , Dick Alexander , Hibbert Benjamin , Chong Aun‐Yeong , So Derek Y. F. ,   on behalf of the CAPITAL Investigators
Published: January 2016

Background

Patients on dual antiplatelet therapy following percutaneous coronary intervention often have indications for concurrent oral anticoagulation or triple antithrombotic therapy (TT). Although TT may decrease ischemic complications, it may confer increased bleeding risk.

Hypothesis

We hypothesize that the use of ticagrelor in TT is associated with higher risk of complications; accordingly, we sought to determine predictors of complications in patients on TT.

Methods

Patients discharged on TT after percutaneous coronary intervention were followed prospectively for 12 months. The primary endpoint was a composite of ischemic (death, myocardial infarction, stroke) and major bleeding complications or net adverse clinical event (NACE). A major secondary endpoint was BARC (Bleeding Academic Research Consortium) types 2, 3, or 5 bleeding. Outcomes were compared between ticagrelor‐ and clopidogrel‐treated patients. Multivariable analyses were performed to elucidate predictors of complications.

Results

Twenty‐seven of 152 patients discharged on TT were on ticagrelor. NACE occurred in 52% of patients and BARC 2, 3, or 5 bleeding occurred in 18%. There was no difference in the primary or secondary outcome between ticagrelor vs clopidogrel subgroup. On logistic regressions, use of TT in patients with acute coronary syndrome (P = 0.002) and bridging in with ticagrelor (P = 0.02) were associated with increased NACE. Low estimated glomerular filtration rate was an independent predictor of bleeding (P = 0.03).

Conclusions

The risk of bleeding and ischemic complications among patients on TT is similar between those on ticagrelor and clopidogrel. However, caution with use of bridging anticoagulation should be taken when using ticagrelor.
The Effects of Free‐Living Physical Activity on Mortality After Coronary Artery Disease Diagnosis
Authors: Loprinzi Paul D. , Addoh Ovuokerie
Published: January 2016

Background

Previous research demonstrates greater survival among coronary artery disease (CAD) patients who engage in cardiac rehabilitation. No national prospective studies, however, have examined the effects of objectively measured free‐living physical activity on mortality among CAD patients, which is important because only 25% of eligible cardiac patients participate in cardiac rehabilitation. Therefore, the purpose of this study was to examine the association between objectively measured free‐living physical activity on all‐cause mortality among a national sample of CAD patients.

Hypothesis

We hypothesize that free‐living physical activity will be inversely associated with all‐cause mortality risk among CAD patients.

Methods

Data from the 2003 to 2006 National Health and Nutrition Examination Survey were used, with follow‐up through 2011. Physical activity was assessed over 7 days during waking hours using the ActiGraph 7164 accelerometer.

Results

Among the 256 CAD adults (representative of 6.5 million CAD patients in the United States), 68 died over the follow‐up period (26.56%). The median follow‐up period was 76.5 months (interquartile range = 62–91 months). After adjustment, for every 60‐minute increase in daily free‐living physical activity, CAD patients had a 16% reduced risk of all‐cause mortality (hazard ratio: 0.84, 95% confidence interval: 0.72‐0.97).

Conclusions

Free‐living objectively measured physical activity is associated with greater survival among CAD patients in the United States. If confirmed by future research, development of strategies to not only increase participation in supervised cardiac rehabilitation, but also increase participation in free‐living physical activity, are needed.
Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A
Authors: Patrone James D. , Pelz Nicholas F. , Bates Brittney S. , Souza‐Fagundes Elaine M. , Vangamudi Bhavatarini , Camper Demarco V. , Kuznetsov Alexey G. , Browning Carrie F. , Feldkamp Michael D. , Frank Andreas O. , Gilston Benjamin A. , Olejniczak Edward T. , Rossanese Olivia W. , Waterson Alex G. , Chazin Walter J. , Fesik Stephen W.
Published: January 2016

Replication protein A (RPA) is an essential single‐stranded DNA (ssDNA)‐binding protein that initiates the DNA damage response pathway through protein–protein interactions (PPIs) mediated by its 70N domain. The identification and use of chemical probes that can specifically disrupt these interactions is important for validating RPA as a cancer target. A high‐throughput screen (HTS) to identify new chemical entities was conducted, and 90 hit compounds were identified. From these initial hits, an anthranilic acid based series was optimized by using a structure‐guided iterative medicinal chemistry approach to yield a cell‐penetrant compound that binds to RPA70N with an affinity of 812 nm. This compound, 2‐(3‐ (N‐(3,4‐dichlorophenyl)sulfamoyl)‐4‐methylbenzamido)benzoic acid (20 c), is capable of inhibiting PPIs mediated by this domain.
Virtual Screening and Experimental Validation Identify Novel Inhibitors of the Plasmodium falciparum Atg8–Atg3 Protein–Protein Interaction
Authors: Hain Adelaide U. P. , Miller Alexia S. , Levitskaya Jelena , Bosch Jürgen
Published: January 2016

New therapies are needed against malaria, a parasitic infection caused by Plasmodium falciparum, as drug resistance emerges against the current treatment, artemisinin. We previously characterized the Atg8–Atg3 protein–protein interaction (PPI), which is essential for autophagy and parasite survival. Herein we illustrate the use of virtual library screening to selectively block the PPI in the parasite without inhibiting the homologous interaction in humans by targeting the A‐loop of PfAtg8. This A‐loop is important for Atg3 binding in Plasmodium, but is absent from the human Atg8 homologues. In this proof‐of‐concept study, we demonstrate a shift in lipidation state of PfAtg8 and inhibition of P. falciparum growth in both blood‐ and liver‐stage cultures upon drug treatment. Our results illustrate how in silico screening and structure‐aided drug design against a PPI can be used to identify new hits for drug development. Additionally, as we targeted a region of Atg8 that is conserved within apicomplexans, we predict that our small molecule will have cross‐reactivity against other disease‐causing apicomplexans, such as Toxoplasma, Cryptosporidium, Theileria, Neospora, Eimeria, and Babesia.
Progress in the Development of non‐BET Bromodomain Chemical Probes
Authors: Theodoulou Natalie H. , Tomkinson Nicholas C. O. , Prinjha Rab K. , Humphreys Philip G.
Published: January 2016

The bromodomain and extra terminal (BET) family of bromodomains have been the focus of extensive research, leading to the development of many potent, selective chemical probes and recent clinical assets. The profound biology associated with BET bromodomain inhibition has provided a convincing rationale for targeting bromodomains for the treatment of disease. However, the BET family represents just eight of the at least 56 human bromodomains identified to date. Until recently, there has been significantly less interest in non‐BET bromodomains, leaving a vast area of research and the majority of this new target class yet to be thoroughly investigated. It has been widely reported that several non‐BET bromodomain containing proteins are associated with various diseases including cancer and HIV. Therefore, the development of chemical probes for non‐BET bromodomains will facilitate elucidation of their precise biological roles and potentially lead to the development of new medicines. This review summarises the progress made towards the development of non‐BET bromodomain chemical probes to date. In addition, we highlight the potential for future work in this new and exciting area.
Psychological morbidities in adolescent and young adult blood cancer patients during curative‐intent therapy and early survivorship
Authors: Muffly Lori S. , Hlubocky Fay J. , Khan Niloufer , Wroblewski Kristen , Breitenbach Katherine , Gomez Joseline , McNeer Jennifer L. , Stock Wendy , Daugherty Christopher K.
Published: January 2016

BACKGROUND

Adolescents and young adults (AYAs) with cancer face unique psychosocial challenges. This pilot study was aimed at describing the prevalence of psychological morbidities among AYAs with hematologic malignancies during curative‐intent therapy and early survivorship and at examining provider perceptions of psychological morbidities in their AYA patients.

METHODS

Patients aged 15 to 39 years with acute leukemia, non‐Hodgkin lymphoma, or Hodgkin lymphoma who were undergoing curative‐intent therapy (on‐treatment group) or were in remission within 2 years of therapy completion (early survivors) underwent a semistructured interview that incorporated measures of anxiety, depression, and posttraumatic stress (PTS). A subset of providers (n = 15) concomitantly completed a survey for each of the first 30 patients enrolled that evaluated their perception of each subject's anxiety, depression, and PTS.

RESULTS

Sixty‐one of 77 eligible AYAs participated. The median age at diagnosis was 26 years (range, 15‐39 years), 64% were male, and 59% were non‐Hispanic white. On‐treatment demographics differed significantly from early‐survivor demographics only in the median time from diagnosis to interview. Among the 61 evaluable AYAs, 23% met the criteria for anxiety, 28% met the criteria for depression, and 13% met the criteria for PTS; 46% demonstrated PTS symptomatology. Thirty‐nine percent were impaired in 1 or more psychological domains. Psychological impairments were as frequent among early survivors as AYAs on treatment. Provider perceptions did not significantly correlate with patient survey results.

CONCLUSIONS

AYAs with hematologic malignancies experience substantial psychological morbidities while they are undergoing therapy and during early survivorship, with more than one‐third of the patients included in this study meeting the criteria for anxiety, depression, or traumatic stress. This psychological burden may not be accurately identified by their oncology providers. Cancer 2016;122:954–61. © 2016 American Cancer Society.
Prostate cancer detection with magnetic resonance‐ultrasound fusion biopsy: The role of systematic and targeted biopsies
Authors: Filson Christopher P. , Natarajan Shyam , Margolis Daniel J.A. , Huang Jiaoti , Lieu Patricia , Dorey Frederick J. , Reiter Robert E. , Marks Leonard S.
Published: January 2016

BACKGROUND

The current study was conducted to evaluate the performance of magnetic resonance (MR)‐ultrasound‐guided fusion biopsy in diagnosing clinically significant prostate cancer (csCaP).

METHODS

A total of 1042 men underwent multiparametric MR imaging (mpMRI) and fusion biopsy consecutively in a prospective trial (2009‐2014). An expert reader graded mpMRI regions of interest (ROIs) as 1 to 5 using published protocols. The fusion biopsy device was used to obtain targeted cores from ROIs (when present) followed by a fusion image‐guided, 12‐core systematic biopsy in all men, even if no suspicious ROI was noted. The primary endpoint of the study was the detection of csCaP (ie, Gleason score ≥ 7).

RESULTS

Among 825 men with ≥ 1 suspicious ROI of ≥ grade 3, 289 (35%) were found to have csCaP. Powerful predictors of csCaP were ROI grade (grade 5 vs grade 3: odds ratio, 6.5 [P<.01]) and prostate‐specific antigen density (each increase of 0.05 ng/mL/cc: odds ratio, 1.4 [P<.01]). Combining systematic and targeted biopsies resulted in the detection of more patients with csCaP (289 patients) than targeting (229 patients) or systematic (199 patients) biopsy alone. Among patients with no suspicious ROI, 35 (16%) were found to have csCaP on systematic biopsy.

CONCLUSIONS

In this prospective trial, MR‐ultrasound fusion biopsy allowed for the detection of csCaP, with a direct relationship noted with ROI grade and prostate‐specific antigen density. The combination of targeted and systematic biopsy detected more csCaP than either modality alone; systematic biopsies revealed csCaP in 16% of men with no suspicious MRI target. The advantages of this new biopsy method are apparent, but issues of cost, training, and reliability await resolution before its widespread adoption. Cancer 2016;122:884–92. © 2016 American Cancer Society.
Efficient Perovskite Solar Cells Employing Inorganic Interlayers
Authors: Xiao Manda , Gao Mei , Huang Fuzhi , Pascoe Alexander R. , Qin Tianshi , Cheng Yi‐Bing , Bach Udo , Spiccia Leone
Published: January 2016

In this work, inverted structure CH3NH3PbI3 perovskite‐based solar cells (PSCs) employing different inorganic metal oxides as hole‐selective interlayers have been fabricated on ITO/NiOx, ITO/VOx and ITO/MoOx substrates and exhibit power conversion efficiencies (PCEs) of 10.6±0.6 %, 11.7±0.5 % and 5.9±0.5 %, respectively. The metal oxide layers deposited on ITO glass modify the substrate work function, leading to open circuit voltages above 1.0 V. Moreover, solar cells fabricated on ITO substrates without any metal oxide layer achieve a high PCE of 11.5 %, indicating that PSCs can perform well with a single selective contact. The inverted structure PSCs, with or without the metal oxide interlayers, show only a weak hysteresis in the J‐V measurements. Our work reveals that single selective contact PSCs with simplified device structures can be very efficient after optimization of each active layer, making them highly competitive with other types of thin film photovoltaic (PV) technologies.
Effects of Food Intake on the Pharmacokinetics of Azilsartan Medoxomil and Chlorthalidone Alone and in Fixed‐Dose Combination in Healthy Adults
Authors: Dudkowski Caroline , Karim Aziz , Munsaka Melvin
Published: January 2016

Azilsartan medoxomil is a long‐acting angiotensin II receptor blocker used to treat hypertension as monotherapy or in fixed‐dose combination (FDC) with chlorthalidone. This study assessed the effects of food intake on the plasma pharmacokinetics of the active moiety, azilsartan, and of chlorthalidone when administered as separate tablets or in FDC. Cohort 1 (n = 24) received azilsartan medoxomil (80 mg) and chlorthalidone (25 mg) once in a fasted condition and once 30 minutes after the initiation of a high‐fat meal (fed). Cohort 2 (n = 24) received the same drugs as an FDC tablet in the fasted and fed conditions. In cohort 1, the fed‐fasted ratios for AUC0–inf and Cmax were 108.3 (101.6–115.5) and 103.7 (94.3–114.1), respectively, for azilsartan and 112.3 (106.5–118.4) and 100.3 (90.6–111.1), respectively, for chlorthalidone. In cohort 2, the corresponding ratios were 78.6 (67.6–91.4) and 78.6 (64.4–96.0) for azilsartan and 101.0 (96.5–86.7) and 75.9 (66.5–86.7) for chlorthalidone. The combination therapies were well tolerated, and food intake had no consistent effect on adverse events. Food intake had a somewhat greater effect on plasma pharmacokinetics after administration of the FDC tablet than after administration of separate tablets, but the effects of food on the plasma pharmacokinetics of the FDC were not expected to be clinically meaningful.
In Silico Predictions and In Vivo Results of Drug–Drug Interactions by Ketoconazole and Verapamil on AZD1305, a Combined Ion Channel Blocker and a Sensitive CYP3A4 Substrate
Authors: Johansson Susanne , Löfberg Boel , Aunes Maria , Lunde Helen , Frison Lars , Edvardsson Nils , Cullberg Marie
Published: January 2016

The objectives were to estimate and compare, in silico and in vivo, the effects of a strong and a moderate CYP3A4 inhibitor on AZD1305 pharmacokinetics. In silico, simulations were performed with the computer software Simcyp, and the predicted outcome was compared with the results observed in healthy male subjects. In silico, the geometric mean plasma exposure of AZD1305 + ketoconazole showed a 7.1‐fold higher AUC and a 4.4‐fold higher Cmax compared with AZD1305 alone. Coadministration with verapamil gave a 1.9‐fold higher AUC and a 1.7‐fold higher Cmax compared with AZD1305 alone. In vivo, the plasma exposure of AZD1305 + ketoconazole showed a 7.7‐fold higher AUC and a 4.8 ‐fold higher Cmax compared with AZD1305 alone. Coadministration with verapamil gave a 2.2‐fold higher AUC and a 2.0‐fold higher Cmax compared with AZD1305 alone. The mean maximum QTcF increase from baseline was 407, 487, and 437 milliseconds for AZD1305, alone and in combination with verapamil or ketoconazole, respectively. Simcyp predicted the effects of ketoconazole and verapamil on the sensitive CYP3A4 substrate AZD1305 pharmacokinetics well. Both the in vivo study and the Simcyp predictions suggest a contraindication for strong CYP3A4 inhibitors and AZD1305 when given in combination.
Improving performance of GPU code using novel features of the NVIDIA kepler architecture
Authors: Li Yuanzhe , Schwiebert Loren , Hailat Eyad , Mick Jason , Potoff Jeffrey
Published: January 2016

Graphics processing unit (GPU) computing is a popular approach to simulating complex models and performing massive calculations. GPUs have attracted a great deal of interest because they offer both high performance and energy efficiency. Efficient General‐Purpose computation on Graphics Processing Units requires good parallelism, memory coalescing, regular memory access, small overhead on data exchange between the CPU and the GPU, and few explicit global synchronizations, which are usually gained from optimizing the algorithms. Besides these advantages, the proper use of some novel features provided on NVIDIA GPUs can offer further improvement. In this paper, we modify an existing optimized GPU application to illustrate the potential performance gains of these features and to demonstrate the performance trade offs of different implementation choices. The paper focuses on the challenges of reducing interactions between CPU and GPU and reducing the use of explicit synchronization. We explain how to achieve these objectives using two features of the Kepler architecture, warp shuffle, and dynamic parallelism. We find that a judicious use of these two techniques, eliminating repeated operations and synchronizations, results in significantly better performance. We describe various pitfalls encountered in optimizing our code to use these two features and how these were addressed. In particular, we identify a subtle data race condition when using dynamic parallelism under certain circumstances, and present our solution. Finally, we present a technique to trade off the allocation of various device resources to find the parameters that offer the best performance. Copyright © 2016 John Wiley & Sons, Ltd.
A restricted proxy re‐encryption with keyword search for fine‐grained data access control in cloud storage
Authors: Chen Zhenhua , Li Shundong , Huang Qiong , Wang Yilei , Zhou Sufang
Published: January 2016

For fine‐grained data access control in cloud computing, for the first time, we introduce a new concept called restricted proxy re‐encryption with keyword search, which combines the function of proxy re‐encryption with keyword search and that of threshold cryptosystem. To demonstrate this concept, we present the formal syntax for restricted proxy re‐encryption with keyword search, the security model, and a concrete construction. In our scheme, we take advantage of the techniques of threshold cryptosystem to restrict the capacity of the proxy cloud server, and in the meantime, we let the proxy cloud server can only re‐encrypt the data containing a specified keyword, which matches the trapdoor from delegatee to provide an accurate access control for users. While in this process, the proxy cloud server learns nothing about the contents of data and keyword. Our scheme is proved to be semantically secure under the modified bilinear Diffie–Hellman assumption and the q‐decisional bilinear Diffie–Hellman inversion assumption in the random oracle model. Finally, we apply the techniques in our scheme to some practical problems. Copyright © 2016 John Wiley & Sons, Ltd.
An implementation and evaluation of the MPI 3.0 one‐sided communication interface
Authors: Dinan James , Balaji Pavan , Buntinas Darius , Goodell David , Gropp William , Thakur Rajeev
Published: January 2016

The Message Passing Interface (MPI) 3.0 standard includes a significant revision to MPI's remote memory access (RMA) interface, which provides support for one‐sided communication. MPI‐3 RMA is expected to greatly enhance the usability and performance of MPI RMA. We present the first complete implementation of MPI‐3 RMA and document implementation techniques and performance optimization opportunities enabled by the new interface. Our implementation targets messaging‐based networks and is publicly available in the latest release of the MPICH MPI implementation. Using this implementation, we explore the performance impact of new MPI‐3 functionality and semantics. Results indicate that the MPI‐3 RMA interface provides significant advantages over the MPI‐2 interface by enabling increased communication concurrency through relaxed semantics in the interface and additional routines that provide new window types, synchronization modes, and atomic operations. Copyright © 2016 John Wiley & Sons, Ltd.
Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts
Authors: Dagade Dilip H. , Barge Seema S.
Published: January 2016

A near‐IR spectral study on pure water and aqueous salt solutions is used to investigate stoichiometric concentrations of different types of hydrogen‐bonded water species in liquid water and in water comprising the hydration shell of salts. Analysis of the thermodynamics of hydrogen‐bond formation signifies that hydrogen‐bond making and breaking processes are dominated by enthalpy with non‐negligible heat capacity effects, as revealed by the temperature dependence of standard molar enthalpies of hydrogen‐bond formation and from analysis of the linear enthalpy–entropy compensation effects. A generalized method is proposed for the simultaneous calculation of the spectrum of water in the hydration shell and hydration number of solutes. Resolved spectra of water in the hydration shell of different salts clearly differentiate hydrogen bonding of water in the hydration shell around cations and anions. A comparison of resolved liquid water spectra and resolved hydration‐shell spectra of ions highlights that the ordering of absorption frequencies of different kinds of hydrogen‐bonded water species is also preserved in the bound state with significant changes in band position, band width, and band intensity because of the polarization of water molecules in the vicinity of ions.
Bay‐Annulated Perylene Tetraesters: A New Class of Discotic Liquid Crystals
Authors: Gupta Ravindra Kumar , Pathak Suraj Kumar , Pradhan Balaram , Gupta Monika , Pal Santanu Kumar , Sudhakar Achalkumar Ammathnadu
Published: January 2016

Selenium‐annulated perylene tetraesters that stabilize the hexagonal columnar phase have been synthesized and characterized, and their thermal and photophysical behavior has been determined. The mesophase range decreased with an increase in chain length. A comparative account of the structure–property relationships of this series of compounds with respect to parent perylene tetraesters, N‐ and S‐annulated perylene tetraesters, in terms of their thermal, photophysical and electrochemical behavior is provided. The bay‐annulation of perylene tetraesters is a good option to modify the thermal and photophysical properties of perylene derivatives and it can provide a new avenue for the synthesis of several technologically important self‐assembling perylene derivatives.
Influence of Metal Oxides on Platinum Activity towards Methanol Oxidation in H2SO4 solution
Authors: Hameed R. M. Abdel , Amin R. S. , El‐Khatib K. M. , Fetohi Amani E.
Published: January 2016

Pt–CeO2/C, Pt–TiO2/C, and Pt–ZrO2/C electrocatalysts were prepared by using a modified microwave‐assisted polyol process. Physical characterization was performed by using XRD, TEM, and EDX analyses. The incorporation of different metal oxides increased the dispersion degree of Pt nanoparticles and reduced their diameter to 2.50 and 2.33 nm when TiO2 and ZrO2 were introduced to Pt/C, respectively. The electrocatalytic activity of various electrocatalysts was examined towards methanol oxidation in H2SO4 solution by using cyclic voltammetry, chronoamperometry, and electrochemical impedance spectroscopy. Among the studied composites, Pt–ZrO2/C was selected to be a candidate electrocatalyst for better electrochemical performance in direct methanol fuel cells.
Controlled Logic Gates—Switch Gate and Fredkin Gate Based on Enzyme‐Biocatalyzed Reactions Realized in Flow Cells
Authors: Fratto Brian E. , Katz Evgeny
Published: January 2016

Controlled logic gates, where the logic operations on the Data inputs are performed in the way determined by the Control signal, were designed in a chemical fashion. Specifically, the systems where the Data output signals directed to various output channels depending on the logic value of the Control input signal have been designed based on enzyme biocatalyzed reactions performed in a multi‐cell flow system. In the Switch gate one Data signal was directed to one of two possible output channels depending on the logic value of the Control input signal. In the reversible Fredkin gate the routing of two Data signals between two output channels is controlled by the third Control signal. The flow devices were created using a network of flow cells, each modified with one enzyme that biocatalyzed one chemical reaction. The enzymatic cascade was realized by moving the solution from one reacting cell to another which were organized in a specific network. The modular design of the enzyme‐based systems realized in the flow device allowed easy reconfiguration of the logic system, thus allowing simple extension of the logic operation from the 2‐input/3‐output channels in the Switch gate to the 3‐input/3‐output channels in the Fredkin gate. Further increase of the system complexity for realization of various logic processes is feasible with the use of the flow cell modular design.
Static and Dynamical Structural Investigations of Metal‐Oxide Nanocrystals by Powder X‐ray Diffraction: Colloidal Tungsten Oxide as a Case Study
Authors: Caliandro Rocco , Sibillano Teresa , Belviso B. Danilo , Scarfiello Riccardo , Hanson Jonathan C. , Dooryhee Eric , Manca Michele , Cozzoli P. Davide , Giannini Cinzia
Published: January 2016

We have developed a general X‐ray powder diffraction (XPD) methodology for the simultaneous structural and compositional characterization of inorganic nanomaterials. The approach is validated on colloidal tungsten oxide nanocrystals (WO3−x NCs), as a model polymorphic nanoscale material system. Rod‐shaped WO3‐x NCs with different crystal structure and stoichiometry are comparatively investigated under an inert atmosphere and after prolonged air exposure. An initial structural model for the as‐synthesized NCs is preliminarily identified by means of Rietveld analysis against several reference crystal phases, followed by atomic pair distribution function (PDF) refinement of the best‐matching candidates (static analysis). Subtle stoichiometry deviations from the corresponding bulk standards are revealed. NCs exposed to air at room temperature are monitored by XPD measurements at scheduled time intervals. The static PDF analysis is complemented with an investigation into the evolution of the WO3−x NC structure, performed by applying the modulation enhanced diffraction technique to the whole time series of XPD profiles (dynamical analysis). Prolonged contact with ambient air is found to cause an appreciable increase in the static disorder of the O atoms in the WO3−x NC lattice, rather than a variation in stoichiometry. The time behavior of such structural change is identified on the basis of multivariate analysis.
Hydrothermal Synthesis of Multiwalled Carbon Nanotube–Zinc Manganate Nanoparticles as Anode Materials for Lithium Ion Batteries
Authors: Mondal Anjon Kumar , Liu Hao , Xie Xiuqiang , Kretschmer Katja , Wang Guoxiu
Published: January 2016

Multiwalled carbon nanotube (MWCNT)–ZnMn2O4 nanoparticles were fabricated by a hydrothermal method without further thermal treatment. The morphology and microstructure were investigated by X‐ray diffraction, field‐emission scanning electron microscopy, transmission electron microscopy and the Brunauer–Emmett–Teller method. Owing to the synergistic effect and strongly coupled interaction between the MWCNTs and ZnMn2O4 nanoparticles, the MWCNT–ZnMn2O4 composite material exhibited a higher specific capacity of 809 mA h g−1, good rate capability and stable cycling performance compared to both pristine ZnMn2O4 nanoparticles and MWCNTs, indicating it to be a promising anode material for lithium ion battery applications.
Cuprous Oxide as a Potential Low‐Cost Hole‐Transport Material for Stable Perovskite Solar Cells
Authors: Nejand Bahram Abdollahi , Ahmadi Vahid , Gharibzadeh Saba , Shahverdi Hamid Reza
Published: January 2016

Inorganic hole‐transport materials are commercially desired to decrease the fabrication cost of perovskite solar cells. Here, Cu2O is introduced as a potential hole‐transport material for stable, low‐cost devices. Considering that Cu2O formation is highly sensitive to the underlying mixture of perovskite precursors and their solvents, we proposed and engineered a technique for reactive magnetron sputtering. The rotational angular deposition of Cu2O yields high surface coverage of the perovskite layer for high rate of charge extraction. Deposition of this Cu2O layer on the pinhole‐free perovskite layer produces devices with power conversion efficiency values of up to 8.93 %. The engineered Cu2O layers showed uniform, compact, and crack‐free surfaces on the perovskite layer without affecting the perovskite structure, which is desired for deposition of the top metal contact and for surface shielding against moisture and mechanical damages.
High Performance Particle/Polymer Nanofiber Anodes for Li‐ion Batteries using Electrospinning
Authors: Self Ethan C. , McRen Emily C. , Pintauro Peter N.
Published: January 2016

Electrospun nanofiber mats containing carbon nanoparticles in a poly(vinylidene fluoride) binder were prepared and characterized as Li‐ion battery anodes. The mats exhibited an initial capacity of 161 mAh g−1 with 91.7 % capacity retention after 510 cycles at 0.1 C (1 C=372 mA gcarbon−1). Whereas many nanoscale electrodes are limited to low areal and/or volumetric capacities, the particle/polymer nanofiber anodes can be made thick with a high fiber volume fraction while maintaining good rate capabilities. Thus, a nanofiber anode with a fiber volume fraction of 0.79 exhibits a volumetric capacity of 55 mAh cm−3 at 2 C, which is twice that of a typical graphite anode. Similarly, thick nanofiber mats with a high areal capacity of 4.3 mAh cm−2 were prepared and characterized. The excellent performance of electrospun anodes is attributed to electrolyte intrusion throughout the interfiber void space and efficient Li+ transport between the electrolyte and carbon nanoparticles in the radial fiber direction.
Direct Hydrogenation of Biobased Carboxylic Acids Mediated by a Nitrogen‐centered Tridentate Phosphine Ligand
Authors: Deng Li , Kang Bin , Englert Ulli , Klankermayer Jürgen , Palkovits Regina
Published: January 2016

A novel nitrogen‐centered tridentate ligand was identified from a series of multidentate ligands and applied for the direct hydrogenation of 9 biogenic acids into alcohols, lactones and esters with high yields. Comparison of substrates and ruthenium precursors suggested that the RuII hydride cationic species was more active to transform acids than the corresponding lactone or esters.
Application of the modified IDA‐PBC for shunt active power filters control
Authors: Serra Federico M. , De Angelo Cristian H. , Forchetti Daniel G.
Published: January 2016

The design of a passivity‐based nonlinear controller for a shunt active power filter to be used for the compensation of harmonic currents consumed by nonlinear loads is presented in this paper. The main objective of designed controller is to inject the necessary compensation current into the system so that the grid current is sinusoidal and balanced, regardless of whether the grid voltage is unbalanced and/or distorted. The references for the compensation currents are obtained from applying the pq theory. The controller is designed on the basis of a modified interconnection and damping assignment technique, which allows solving a tracking control problem. An integral action controller is added to the proposed controller using the same design technique, in order to eliminate the errors produced by parameter variations or uncertainties. The behavior of the proposed control strategy is validated through simulation using a realistic model, which includes converter switching and losses, grid distortion, and parameter variations. Copyright © 2016 John Wiley & Sons, Ltd.
Diagnostic value of liquid‐based cytology with fine needle aspiration specimens for cervical lymphadenopathy
Authors: Bandoh Nobuyuki , Goto Takashi , Akahane Toshiaki , Ohnuki Natsumi , Yamaguchi Tomomi , Kamada Hajime , Harabuchi Yasuaki , Tanaka Shinya , Nishihara Hiroshi
Published: January 2016

Background

Cervical lymphadenopathy is a symptom that is frequently seen among outpatients, and it is important to differentiate malignant lesions from reactive lymphoid hyperplasia. Fine needle aspiration (FNA) cytology has been widely used for the diagnosis of cervical lymphadenopathy. However, some limitations of the diagnostic accuracy using conventional smear (CS) cytology have been pointed out. The diagnostic value of liquid‐based cytology (LBC) with FNA specimens has not yet been fully proven.

Methods

Forty‐two patients with cervical lymphadenopathy who underwent FNA with CS cytology from 2007 to 2011 and 123 patients who underwent FNA with LBC utilizing LBCPREP2™ from 2011 to 2015 were studied. Diagnostic values were compared between the CS and the LBC groups.

Results

Of the total 165 patients representing the combined CS and LBC groups, 81 (49.1%) were diagnosed as benign lymph node and 84 (50.9%) were malignant diseases including 37 (22.4%) of metastatic carcinoma except for thyroid carcinoma, 30 (18.2%) of metastatic thyroid carcinoma, and 17 (10.3%) of malignant lymphoma. The overall statistical values including sensitivity, specificity, positive predictive value, negative predictive value, and accuracy of the CS were 75%, 100%, 100%, 78.9%, and 87.1%, respectively, whereas those values for LBC were 91.2%, 100%, 100%, 90.7%, and 95.3%, respectively. The sensitivity of LBC for malignant diseases tended to be higher than that of CS cytology (p = 0.081).

Conclusion

LBC with FNA specimens from cervical lymphadenopathy is a useful and reliable method for the diagnosis of malignant diseases, especially of metastatic carcinomas, due to its increased sensitivity compared with CS cytology. Diagn. Cytopathol. 2016;44:169–176. © 2016 Wiley Periodicals, Inc.
CT‐guided aspiration cytology of advanced silicosis and confirmation of the deposited zeolite nano particles through X ray diffraction: A novel approach
Authors: Bandyopadhyay Arghya , Majumdar Kaushik , Chakraborty Abhijit , Mitra Partha , Nag Subhomoy
Published: January 2016

Silicosis is a common occupational lung disease, resulting in fibrotic nodular lesions in the upper lobes of the lung parenchyma. Most of the pneumoconioses are diagnosed on the basis of relevant history and clinico‐radiological correlation. Image‐guided aspiration cytology appears to be poorly yielding and is not usually considered as a diagnostic modality. However, silicosis may sometimes offer a diagnostic challenge because of its radiological resemblance and clinical overlap with pulmonary tuberculosis and neoplastic lesions. We present a unique situation where image‐guided fine needle aspiration cytology (FNAC) has been advised on the basis of nodular upper lobe opacities. The cytology smears revealed hypocellular granular material, while phase contrast and polarized light microscopy highlighted crystalline particles. History of silica dust exposure long back was available after the cytological evaluation, suggesting the diagnosis of pulmonary silicosis. X ray diffraction (XRD) crystallography was also possible on cytology smears, confirming zeolite nano particles of size as small as 40 − 50 nm as the concerned agent for the first time. Cytological evaluation by phase contrast and polarized light microscopy may be useful for the confirmation of silicosis, supplemented by clinical history and radiological evaluation. XRD on smears may help in determination of chemical nature and particle size. Diagn. Cytopathol. 2016;44:246–249. © 2015 Wiley Periodicals, Inc.
Organomineralization processes in freshwater stromatolites: a living example from eastern Patagonia
Authors: Pacton Muriel , Hunger Gabriel , Martinuzzi Vincent , Cusminsky Gabriela , Burdin Beatrice , Barmettler Kurt , Vasconcelos Crisogono , Ariztegui Daniel
Published: January 2016

Living stromatolites have been mostly described within shallow marine and (hyper)saline lacustrine environments. Southernmost South America lacks detailed investigations of these (organo)sedimentary buildups, particularly in regions experiencing extreme and variable environmental conditions. Here, we report and describe living freshwater stromatolites in the Maquinchao region, north‐western Patagonia, Argentina. Fossil stromatolites characterized by globular and cauliflower shapes are also present in a continuous palaeoshoreline of a former lake at an altitude of 830 m, whereas their living counterparts only occur in the calm waters of sheltered or meandering sections of the Maquinchao River. The living stromatolites and their host waters have been sampled and studied using various chemical and microscopic techniques to better constrain the environmental versus biological factors controlling their development. Our results indicate that today stromatolites only proliferate in freshwater when Ca2+ levels are high. A microscopic inspection of the living stromatolite mat indicates stronger photosynthetic activity in the upper green layer associated with crypto/microcrystalline calcite (nanoglobules) compared to the lower beige‐white biofilm. This biofilm contains more low‐Mg calcite (rhombohedra) precipitates, which can form millimetre‐sized aggregates in the underlying anoxic layer. Although sulphate‐reducing bacteria are living in the entire mat, they appear more abundant and widely distributed in the lower beige‐white layer and are always associated with Mg calcite. Low salinity and low‐turbidity water along with microbial (photosynthetic and heterotrophic) activity are the most important factors promoting low‐Mg calcite precipitation in the Maquinchao Basin. These conditions are very different from those proposed for recently described lacustrine stromatolites at high altitude in the subtropical and tropical Andes as well as in Chilean Patagonia. Hence, all these observations in modern freshwater stromatolites show the importance of geomicrobiological studies in identifying proxies of the hydrological conditions prevailing during their formation.
Evaluation of the Bangor Dyslexia Test (BDT) for use with Adults
Authors: Reynolds Andrea Elaine , Caravolas Markéta
Published: January 2016

The Bangor Dyslexia Test (BDT) is a short, easy‐to‐administer screener for use with a broad age range, which has been in use in the UK for over three decades. A distinctive feature of the battery is its focus on skills requiring aspects of verbal and phonological processing without, however, measuring literacy skills per se. Despite its longstanding existence and usage, there has been no evaluation of the psychometric properties of the battery as an adult dyslexia screener. We examined the psychometric properties of the BDT and evaluated its capacity to discriminate between adults with and without dyslexia. A large archival sample of university students with dyslexia (n = 193) and students with no reported literacy difficulties (n = 40) were compared on the BDT as well as on literacy and cognitive measures. Statistical analyses revealed the BDT to be a reliable (α = .72) and valid dyslexia screening tool with the capacity to effectively identify adults at risk of the disorder with an overall classification rate of 94% (sensitivity 96.4% and specificity 82.5%). In addition, higher indices of dyslexia risk on the BDT were associated with lower scores on standardized measures of literacy. Copyright © 2016 John Wiley & Sons, Ltd.
Maternal adjustment or constraint: differential effects of food availability on maternal deposition of macro‐nutrients, steroids and thyroid hormones in rock pigeon eggs
Authors: Hsu Bin‐Yan , Dijkstra Cor , Darras Veerle M. , de Vries Bonnie , Groothuis Ton G.G.
Published: January 2016

In oviparous species like birds, eggs provide the direct environment in which embryos are developing. Mothers may adjust different egg components in different ways in reaction to environmental cues either to adjust offspring development or because of constraints. In this study, we investigated the effects of food quality and quantity before and during egg laying on three different aspects of egg quality: macro‐nutrients (egg and yolk mass), androgens (testosterone and androstenedione), and thyroid hormones (3,5,3′‐triiodothyronine,T3 andl‐thyroxine,T4), using therock pigeon (Columba livia). As expected, egg and yolk mass were significantly reduced for the eggs laid under the poor‐food condition, indicating a maternal trade‐off between offspring and self in allocating important resources. We did not find any significant change in yolk testosterone or their within‐clutch pattern over the laying sequence. This is consistent with the fact that, in contrast with nutrients, these hormones are not costly to produce, but does not support the hypothesis that they play a role in adjusting brood size to food conditions. In contrast, we found thatT3 levels were higher in the egg yolks under the poor‐food condition whereas the totalT4 content was lower. This change could be related to the fact that iodine, the critical constituent of thyroid hormones, might be a limiting factor in the production of this hormone. Given the knowledge that food restriction usually lead to reduction of circulatingT3 levels, our results suggested that avian mothers can independently regulate its concentrations in their eggs from their own circulation. The study demonstrates that environmentally induced maternal effects via the egg can be a result of a combination of constrained resources and unconstrained signals and that thyroid hormones might be an interesting case of both. Therefore, this hormone and the interplay of different maternal effects on the offspring phenotype deserve much more attention.
When can we measure stress noninvasively? Postdeposition effects on a fecal stress metric confound a multiregional assessment
Authors: Wilkening Jennifer L. , Ray Chris , Varner Johanna
Published: January 2016

Measurement of stress hormone metabolites in fecal samples has become a common method to assess physiological stress in wildlife populations. Glucocorticoid metabolite (GCM) measurements can be collected noninvasively, and studies relating this stress metric to anthropogenic disturbance are increasing. However, environmental characteristics (e.g., temperature) can alter measured GCM concentration when fecal samples cannot be collected immediately after defecation. This effect can confound efforts to separate environmental factors causing predeposition physiological stress in an individual from those acting on a fecal sample postdeposition. We used fecal samples from American pikas (Ochotona princeps) to examine the influence of environmental conditions on GCM concentration by (1) comparing GCM concentration measured in freshly collected control samples to those placed in natural habitats for timed exposure, and (2) relating GCM concentration in samples collected noninvasively throughout the western United States to local environmental characteristics measured before and after deposition. Our timed‐exposure trials clarified the spatial scale at which exposure to environmental factors postdeposition influences GCM concentration in pika feces. Also, fecal samples collected from occupied pika habitats throughout the species' range revealed significant relationships between GCM and metrics of climate during the postdeposition period (maximum temperature, minimum temperature, and precipitation during the month of sample collection). Conversely, we found no such relationships between GCM and metrics of climate during the predeposition period (prior to the month of sample collection). Together, these results indicate that noninvasive measurement of physiological stress in pikas across the western US may be confounded by climatic conditions in the postdeposition environment when samples cannot be collected immediately after defecation. Our results reiterate the importance of considering postdeposition environmental influences on this stress metric, especially in multiregional comparisons. However, measurements of fecal GCM concentration should prove useful for population monitoring within an eco‐region or when postdeposition exposure can be minimized.