bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of Knowledge and Attitude of Community Pharmacists towards of Label Medications in Khartoum State: A Descriptive Cross Sectional Study
Authors: Makki Abrar A. , Mohammed Saif-alnasr H. , Ahmedani Elsamoual Ibrahim , Yousef Bashir A.
Published: September 2024

Background: Healthcare providers, including pharmacists who prescribe medications, have a professional obligation to select treatments that are in the best interests of their patients. Consequently, the concept of off-label drug use, where drugs are used outside their approved indications, dosages, routes, or patient groups, often appears in medical literature, continuing education, and online resources. This term can be contentious, linked to both significant benefits and risks for patients. This study aimed to assess community pharmacists' knowledge and attitudes towards off-label medications.
Methods: A descriptive cross-sectional study was conducted using a self-administered, 24-item questionnaire distributed to 330 randomly selected community pharmacies in Khartoum State from December 2020 to February 2021.
Results: A 100% response rate was achieved. Most respondents were female (63.3%), aged 25-29 years (59.5%), and had 1-6 years of experience (36.6%). Over 75.1% were familiar with the concept of off-label prescribing, primarily through practical experience rather than formal education. Reasons mentioned for off-label prescriptions included indications (76.5%). More than half (62%) believed that prescribing off-label drugs is illegal, and only 16% felt they had adequate knowledge about off-label drug use. Despite concerns about safety (51%) and efficacy (54.7%), the majority of pharmacists relied on the British National Formulary (50%) or national guidelines (18.1%) rather than local formularies or package inserts for information. While 59.5% agreed they had a responsibility to inform prescribers about off-label use, 51.5% felt similarly towards informing patients. Regarding specific medications, 88% of respondents considered the use of metformin for obesity to be off-label, compared to 26.9% for pregabalin for neuropathic pain, and 66.7% and 31.3% for prazosin and clomiphene, respectively.
Conclusion: Community pharmacists in Khartoum State appear to have limited awareness and concerns about the issues surrounding off-label prescribing. Most acquired relevant knowledge through work experience rather than formal training.
Magnetosheath control of solar wind‐magnetosphere coupling efficiency
Authors: Pulkkinen T. I. , Dimmock A. P. , Lakka A. , Osmane A. , Kilpua E. , Myllys M. , Tanskanen E. I. , Viljanen A.
Published: September 2016

We examine the role of the magnetosheath in solar wind‐magnetosphere‐ionosphere coupling using the Time History of Events and Macroscale Interactions during Substorms plasma and magnetic field observations in the magnetosheath together with OMNI solar wind data and auroral electrojet recordings from the International Monitor for Auroral Geomagnetic Effects (IMAGE) magnetometer chain. We demonstrate that the electric field and Poynting flux reaching the magnetopause are not linear functions of the electric field and Poynting flux observed in the solar wind: the electric field and Poynting flux at the magnetopause during higher driving conditions are lower than those predicted from a linear function. We also show that the Poynting flux normal to the magnetopause is linearly correlated with the directly driven part of the auroral electrojets in the ionosphere. This indicates that the energy entering the magnetosphere in the form of the Poynting flux is directly responsible for driving the electrojets. Furthermore, we argue that the polar cap potential saturation discussed in the literature is associated with the way solar wind plasma gets processed during the bow shock crossing and motion within the magnetosheath.
Failure characteristics of two porous sandstones subjected to true triaxial stresses
Authors: Ma Xiaodong , Haimson Bezalel C.
Published: September 2016

We conducted an extensive suite of true triaxial experiments in two porous sandstones, Bentheim (porosity ≈ 24%) and Coconino (17.5%). Our experiments demonstrate that failure of both sandstones is not only a function of σ3 but also of σ2. For a given σ3, σ1 at failure (σ1,peak) increases as σ2 is raised above σ3 between tests. The σ1,peak reaches a peak as σ2 is about halfway between σ3 and σ1 and then gradually decreases such that when σ2 ≈ σ1,peak, it approaches its initial magnitude when σ2 = σ3. For a constant σ3, failure‐plane angle increases with σ2 by a maximum of less than 10° as σ2 rises from σ2 = σ3 to σ2 = σ1,peak. The effect of σ2 on both failure level and failure‐plane angle is stronger in the lower‐porosity Coconino sandstone than in the Bentheim sandstone. The σ2 dependence of failure mode in the Bentheim is different than Coconino over the same σ3 range. Both sandstones failed dilatantly at low σ3 magnitudes. However, at high σ3 (100–120 MPa), Bentheim sandstone developed shear‐enhanced compaction bands, followed by pure compaction bands at σ3 = 150 MPa. Compaction bands were not observed in the Coconino. Microscopic observations via SEM reveal that tensile microcracking is dominant when shear banding occurs (under low σ3), while pervasive grain crushing and pore collapse inside compaction bands are observed at high σ3.
Primates (Taxonomy)
Authors: Groves Colin
Published: September 2016

After spelling out the rationale for taxonomy, an annotated classification of living primates is given.
L
ester
E
.
F
isher Center for the Study and Conservation of
A
pes
Authors: Ross Stephen R.
Published: September 2016

The Lester E. Fisher Center for the Study and Conservation of Apes is a multidisciplinary research center based at Lincoln Park Zoo in Chicago, Illinois (United States) and named in honor of Dr. Lester Fisher, former veterinarian and director at this zoo. Since 2004, the Fisher Center has maintained a broad and varied research program, focusing on studies of ape behavior, biology, and cognition, using a range of non‐invasive methods and a comparative approach. In addition to the study of zoo‐housed apes, they have worked to study and advocate for privately owned chimpanzees living as pets and performers through their Project ChimpCARE initiative. They also support a growing conservation partnership with the Goualougo Triangle Ape Project aimed at protecting wild populations of apes in the Republic of Congo.
Male Residence and Takeover
Authors: Thierry Bernard
Published: September 2016

Male primates face critical life decisions when engaging in reproductive competition. They can choose between three options, incurring different levels of risk, when competing: challenge, succession, and influx. The first tactic consists of challenging top‐ranking resident males in order to replace them and obtain a privileged access to females. In the second tactic, males avoid force and attempt to obtain a share of mating while they wait to succeed top‐ranking males. In the third tactic, males move between breeding groups, but are ready to flood in and seize any mating opportunity. Males can shift from one tactic to another during their lifetime. Tactical decisions depend not only on male and female numbers, but also on age, chance, and the ability of males to gain the support of allies.
Evolution of the Pliopithecoidea
Authors: Begun David R.
Published: September 2016

The Pliopithecoidea is an extinct group of catarrhines that evolved before the divergence of living Old World monkeys and apes. The fossil record of pliopithecoids ranges in time from about 18 to 7 million years ago and geographically from China to Spain. There are no known descendants of the pliopithecoids and their origins are clouded in mystery.
Topographical Control of Preosteoblast Culture by Shape Memory Foams
Authors: Xie Ruiqi , Hu Jinlian , Guo Xia , Ng Frankie , Qin Tingwu
Published: September 2016

Here, the authors present a thermo‐responsive shape memory polymer (SMP) foam that can be programmed to control the preosteoblast behavior by changing porous architecture during cell cultivation. The preosteoblast cells are seeded on the SMP foams with temporarily compressed pore structure. Results show that cells preferentially align along the pore length direction. After the pore recovery at 37 °C, cells remain attached and viable but change their topography in a tangential direction along the pore edge. This work indicates the shape‐memory actuated porous structure in SMP foam can control the cell behavior. This may provide an effective method for studying cell responses to dynamic environment and facilitate the healthy and optimal development of tissue engineering.
Graphene‐Mimicking 2D Porous Co3O4 Nanofoils for Lithium Battery Applications
Authors: Eom Wonsik , Kim Ayoung , Park Hun , Kim Hansu , Han Tae Hee
Published: September 2016

2D nanoscale oxides have attracted a large amount of research interest due to their unique properties. Here, a facile synthetic approach to prepare graphene‐mimicking, porous 2D Co3O4 nanofoils using graphene oxide (GO) as a sacrificial template is reported. The thermal instability of graphene, as well as the catalytic ability of Co3O4 particles to degrade carbon backbones, allow the fabrication of porous 2D Co3O4 nanofoils without the loss of the 2D nature of GO. Based on these results, a graphene mimicking as a route for large‐area 2D transition metal oxides for applications in electrochemical energy storage devices is proposed. As a proof of concept, it is demonstrated that graphene‐like, porous 2D Co3O4 nanofoils exhibit a high reversible capacity (1279.2 mAh g−1), even after 50 cycles. This capacity is far beyond the theoretical capacity of Co3O4 based on the conversion mechanism from Co3O4 to Li2O and metallic Co.
Facile Synthesis of 3D Graphene Flowers for Ultrasensitive and Highly Reversible Gas Sensing
Authors: Wu Jin , Feng Shuanglong , Wei Xingzhan , Shen Jun , Lu Wenqiang , Shi Haofei , Tao Kai , Lu Shirong , Sun Tai , Yu Leyong , Du Chunlei , Miao Jianmin , Norford Leslie K.
Published: September 2016

Fabrication of nanostructured graphene (Gr) for gas sensing applications has become increasingly attractive. For the first time, 3D graphene flowers (GF) cluster patterns are grown directly on an Ni foam substrate by inexpensive homebuilt microwave plasma‐enhanced chemical vapor deposition (MPCVD) using the gas mixture H2/C2H4O2@Ar as a precursor. The interim morphologies of the synthesized GF are investigated and the growth mechanism of the GF film is proposed. The GF are decomposed to few‐layer Gr sheets by ultrasonication in ethanol. For the first time, MPCVD‐synthesized Gr is exploited to fabricate a gas sensor that exhibits an ultrahigh sensitivity of 133.2 ppm−1 to NO2. Outstanding sensor responses of 1411% and 101% to 10 ppm and 200 ppb NO2, respectively, are achieved. Furthermore, a low theoretical detection limit of 785 ppt NO2 is achieved. An ultrafast (within 2 s) recovery is observed at room temperature, and an imbedded microheater is employed to improve the selectivity of NO2 detection relative to humidity. This work represents a simple, clean, and efficient route to synthesize large‐area cauliflower Gr for gas detection with high performance, including ultrahigh sensitivity, good selectivity, fast recovery, and reversibility.
Sustained Implementation of Evidence‐based Programs in Disadvantaged Communities: A Conceptual Framework of Supporting Factors
Authors: Hodge Lauren M. , Turner Karen M. T.
Published: September 2016

This paper presents a review of the empirical literature for studies evaluating factors that facilitate and create barriers to sustained program implementation in disadvantaged communities. It outlines study methodology and sustainment outcomes and proposes a conceptual model that involves implementation sustainment support for providers delivering evidence‐based health and family services in disadvantaged communities. Sustained program implementation in the community setting is a significant issue as only 43% of studies reported successfully sustained programs. The review identified 18 factors that facilitate success and create barriers to program sustainment. The factors are synthesized into three themes; program characteristics, workplace capacity, and process and interaction factors. The majority of factors map onto commonly cited sustainability influences in implementation science. However, there was an additional focus for studies included in this review on the importance of factors such as program burden, program familiarity and perceived competence in program skills, workplace support for the program, staff mobility and turnover, supervision and peer support, and ongoing technical assistance. The need to use a conceptual framework and develop measures to guide and evaluate capacity building in EBP implementation and sustainment in low‐resource community settings is highlighted.
Metal‐Free Synthesis of Highly Substituted Pyridines by Formal [2+2+2] Cycloaddition under Mild Conditions
Authors: Xie Lan‐Gui , Shaaban Saad , Chen Xiangyu , Maulide Nuno
Published: September 2016

The synthesis of pyridines through direct intermolecular cycloaddition of alkynes and nitriles is a contemporary challenge in organic synthesis. A Brønsted acid mediated formal [2+2+2] cycloaddition of heteroalkynes and nitriles was developed that proceeds under mild conditions. This constitutes a modular approach to highly substituted pyridine cores.
Butelase‐Mediated Macrocyclization of d‐Amino‐Acid‐Containing Peptides
Authors: Nguyen Giang K. T. , Hemu Xinya , Quek Jun‐Ping , Tam James P.
Published: September 2016

Macrocyclic compounds have received increasing attention in recent years. With their large surface area, they hold promise for inhibiting protein–protein interactions, a chemical space that was thought to be undruggable. Although many chemical methods have been developed for peptide macrocyclization, enzymatic methods have emerged as a promising new economical approach. Thus far, most enzymes have been shown to act on l‐peptides; their ability to cyclize d‐amino‐acid‐containing peptides has rarely been documented. Herein we show that macrocycles consisting of d‐amino acids, except for the Asn residue at the ligating site, were efficiently synthesized by butelase 1, an Asn/Asp‐specific ligase. Furthermore, by using a peptide‐library approach, we show that butelase 1 tolerates most of the d‐amino acid residues at the P1′′ and P2′′ positions.
Segmental dynamics of functional graphene‐filled poly(ether sulfone ether ketone ketone) nanocomposites
Authors: Yu Wenwen , Shi Jiangao , Wang Luming
Published: September 2016

The segmental dynamics of functional graphene (fGR)/poly(ether sulfone ether ketone ketone) (PESEKK) nanocomposites were investigated via differential scanning calorimetry and dynamic mechanical analysis (DMA) measurements. First, fGR was prepared using graphene oxide and sodium dodecylbenzene sulfonate. Subsequently, a series of fGR/PESEKK nanocomposites were prepared through solution blend. When the sulfone groups were introduced into the segments of PESEKK polymers, the glass transition temperature (Tg) of PESEKK was higher than that of free sulfone functionalized poly(ether ketone ketone). The fGR/PESEKK nanocomposites displayed a uniform nanostructure because of the strong interfacial interaction between fGR and PESEKK. With the increase in the fGR contents, the Tg values of fGR/PESEKK nanocomposites decreased. Two loss factor peaks were noted in the fGR/PESEKK nanocomposites, which were characterized via DMA. The α′‐relaxation of the nanocomposites at low temperature was assigned to polymer chains close to the polymer/filler interface with mobility higher than that in the bulk unfilled PESEKK (α‐relaxation). © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44391.
Polyurethane/amino‐grafted multiwalled carbon nanotube nanocomposites: Microstructure, thermal, mechanical, and rheological properties
Authors: Askari Fahimeh , Barikani Mehdi , Barmar Mohammad , Shokrollahi Parvin
Published: September 2016

A mixture of two different polyols, (polytetramethylene ether glycol and polydimethylsiloxane), were employed to synthesize a new structure of polyurethane (PU) with methylene diphenyl diisocyanate (MDI) and 1,4‐butanediol as chain extender. PU nanocomposites containing variable amount (0.3, 0.5, 1, and 3 wt %) of amino‐grafted multiwalled carbon nanotubes (NH2‐MWNT) were prepared via in situ polymerization. The dispersion of NH2‐MWNT into polymer matrix was investigated by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Fourier transform infrared spectroscopy (FT‐IR) confirmed the urethane‐urea chemical bonding between the PU chains and the NH2‐MWNT. Thermal stabilities of the nanocomposites were examined with thermogravimetric analysis (TGA) and the results indicated a remarkable improvement with increasing NH2‐MWNT contents. The results of dynamic mechanical thermal analysis (DMTA) including storage modulus (E′) and glass transition temperature (Tg), as well as tensile properties demonstrated that the yield strength, strain‐at‐break, and young modulus were enhanced by increasing NH2‐MWNT content. Rheological behavior including complex viscosity and storage and loss moduli of the PU nanocomposites improved with increasing NH2‐MWNT loading, as well. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44411.
Design of intelligent chitosan/heparin hollow microcapsules for drug delivery
Authors: Sun Lili , Xiong Xin , Zou Qiaogen , Ouyang Pingkai , Burkhardt Claus , Krastev Rumen
Published: September 2016

In this study, a novel strategy has been developed for the assembly of polyelectrolyte multilayer (PEM) on CaCO3 templates in acidic pH solutions, where consecutive polyelectrolyte layers (heparin/poly(allylamine hydrochloride) or heparin/chitosan) were deposited on PEM hollow microcapsules established previously on CaCO3 templates. The PEM build‐up, hollow capsule characterization and successful encapsulation of fluorescein 5(6)‐isothiocyanate (FITC)‐Dextran by coprecipitation with CaCO3 are demonstrated. Improvement by the removal of CaCO3 core was achieved while the depositions. In the course of the release profile, high retardation for encapsulated FITC‐Dextran was observed. The combined shell capsules system is a significant trait that has potential use in tailoring functional layer‐by‐layer capsules as intelligent drug delivery vehicles where the preliminary in vitro tests showed the responsiveness on the enzymes. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44425.
Multi‐objective optimization of transesterification in biodiesel production catalyzed by immobilized lipase
Authors: Karimi Mahmoud , Jenkins Bryan , Stroeve Pieter
Published: September 2016

In order to comply with criteria of green energy concepts and sustainability, a multi‐objective analysis was performed for the transesterification of waste cooking oil (WCO) using immobilized lipase. Response surface methodology and artificial neural networks, followed by multiple response optimization through a desirability function approach were applied to individually and simultaneously evaluate the fatty acid methyl esters (FAME) content and the exergy efficiency. Reaction time and concentrations of methanol, immobilized lipase and water were considered as the design variables in maximizing FAME content and exergy efficiency. The maximum individual desirability of FAME content was predicted to be 95.7% corresponding to a methanol to WCO molar ratio of 6.7, catalyst concentration of 45%, water content of 9% and reaction time of 25 h. However, based on the simultaneously optimization of both the FAME content and the exergy efficiency, the maximum overall desirability was found at a methanol to WCO molar ratio of 6.7, catalyst concentration of 35%, water content of 12% and reaction time of 20 h to achieve FAME content of 88.6% and exergy efficiency of 80.1%, respectively. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
Endoplasmic reticulum‐directed recombinant mRNA displays subcellular localization equal to endogenous mRNA during transient expression in CHO cells
Authors: Kallehauge Thomas Beuchert , Kol Stefan , Rørdam Andersen Mikael , Kroun Damgaard Christian , Lee Gyun Min , Faustrup Kildegaard Helene
Published: September 2016

When expressing pharmaceutical recombinant proteins in mammalian cells, the protein is commonly directed through the secretory pathway, in a signal peptide‐dependent manner, to acquire specific post‐translational modifications and to facilitate secretion into the culture medium. One key premise for this is the direction of the mRNA encoding the recombinant protein to the surface of the endoplasmic reticulum (ER) for subsequent protein translocation into the secretory pathway. To evaluate the efficiency of this process in Chinese hamster ovary (CHO) cells, the subcellular localization of recombinant mRNA encoding the therapeutic proteins, erythropoietin (EPO) and Rituximab, was determined. The results show that ER‐directed recombinant mRNAs exhibited an efficient recruitment to the ER when compared to an endogenous ER‐directed mRNA, with no cytoplasmic translation of ER‐directed recombinant proteins observed. These observations indicate that the recombinant mRNA, encoding ER‐directed proteins, follows the same distribution pattern as endogenous mRNA directed towards the ER. Furthermore, the previous established fractionation method proves to be an efficient tool to study not only recombinant mRNA localization, but also recombinant protein trafficking between the ER and cytosol in CHO cells.
Symptom clusters and survival in Portuguese patients with advanced cancer
Authors: Barata Pedro C. , Cardoso Alice , Custodio Maria P. , Alves Marta , Papoila Ana L. , António Barbosa , Lawlor Peter G.
Published: September 2016

This study aimed to identify clusters of symptoms, to determine the patient characteristics associated with identified, and determine their strength of association with survival in patients with advanced cancer (ACPs). Consecutively eligible ACPs not receiving cancer‐specific treatment, and referred to a Tertiary Palliative Care Clinic, were enrolled in a prospective cohort study. At first consultation, patients rated 9 symptoms through the Edmonton Symptom Assessment System (0–10 scale) and 10 others using a Likert scale (1–5). Principal component analysis was used in an exploratory factor analysis to identify. Of 318 ACPs, 301 met eligibility criteria with a median (range) age of 69 (37–94) years. Three SCs were identified: neuro‐psycho‐metabolic (NPM) (tiredness, lack of appetite, lack of well−being, dyspnea, depression, and anxiety); gastrointestinal (nausea, vomiting, constipation, hiccups, and dry mouth) and sleep impairment (insomnia and sleep disturbance). Exploratory factor analysis accounted for 40% of variance of observed variables in all SCs. Shorter survival was observed for patients with the NPM cluster (58 vs. 23, P < 0.001), as well as for patients with two or more SCs (45 vs. 21, P = 0.005). In a multivariable model for survival at 30‐days, age (HR: 0.98; 95% CI: 0.97–0.99; P = 0.008), hospitalization at inclusion (HR: 2.27; 95% CI: 1.47–3.51; P < 0.001), poorer performance status (HR: 1.90, 95% CI: 1.24–2.89; P = 0.003), and NPM (HR: 1.64; 95% CI: 1.17–2.31; P = 0.005), were associated with worse survival. Three clinically meaningful SC in patients with advanced cancer were identifiable. The NPM cluster and the presence of two or more SCs, had prognostic value in relation to survival.
Supervision of Food Manufacturing Processes Using Optical Process Analyzers – An Overview
Authors: Zettel Viktoria , Ahmad Muhammad Haseeb , Beltramo Tetyana , Hermannseder Bernhard , Hitzemann Annika , Nache Marius , Paquet‐Durand Olivier , Schöck Thomas , Hecker Florian , Hitzmann Bernd
Published: September 2016

The food industry is the fourth largest industrial sector in Germany. The eagerness for innovation is classified as low. The food industry faces significantly larger challenges compared to the chemical industry since the demands of raw materials on processing are higher and more complex. In this contribution, the characteristics of food manufacturing are presented. The potential of optical process analyzers based on NIR, fluorescence, and Raman spectroscopy as well as on digital image analysis is demonstrated. These process analyzers can provide important information on raw materials, intermediate and end products, and improve the automation grade of production processes.
Moral disengagement and callous–unemotional traits: A longitudinal study of Italian adolescents with a disruptive behaviour disorder
Authors: Muratori Pietro , Paciello Marinella , Buonanno Carlo , Milone Annarita , Ruglioni Laura , Lochman John E. , Masi Gabriele
Published: September 2016

Background

Callous–unemotional traits have been proposed as risk factors for a poorer prognosis in young people with disruptive behaviour disorders. Identification of factors that may cause or maintain elevated levels of such traits could help in developing targeted therapeutic interventions. Some previous studies have investigated the role of moral cognitive mechanisms, such as moral disengagement, but these previous studies focused primarily on normal or ‘at‐risk’ samples.

Aim

We aimed to evaluate associations and possible interactions between moral disengagement as a cognitive dimension and callous–unemotional traits as an affective dimension in adolescents with disruptive behaviour disorders.

Method

We recruited 55 adolescents with a disruptive behaviour disorder from a community care hospital in Pisa. They were evaluated at baseline and after one year with measures that included a moral disengagement scale, the Antisocial Process Screening Device, to assess callous traits, and the Youth Self‐Report, to explore externalising behaviour problems.

Results

Structural equation modelling showed that higher initial moral disengagement scores were associated with later higher levels of callous–unemotional traits in adolescents and vice versa, even after, respectively, controlling for previous levels of callous traits and moral disengagement.

Conclusion

As impairments in either cognitive or affective traits may predispose to problematic development of the other, our findings would suggest that screening at the earliest opportunity possible for both moral disengagement and callous–unemotional traits among children with disruptive behaviour disorders could help to map natural outcome pathways and thus tailor more accurate interventions for prevention of antisocial or criminal behaviour. Copyright © 2016 John Wiley & Sons, Ltd.
The Thiophene “Sigma‐Hole” as a Concept for Preorganized, Specific Recognition of G⋅C Base Pairs in the DNA Minor Groove
Authors: Guo Pu , Paul Ananya , Kumar Arvind , Farahat Abdelbasset A. , Kumar Dhiraj , Wang Siming , Boykin David W. , Wilson W. David
Published: September 2016

In spite of its importance in cell function, targeting DNA is under‐represented in the design of small molecules. A barrier to progress in this area is the lack of a variety of modules that recognize G⋅C base pairs (bp) in DNA sequences. To overcome this barrier, an entirely new design concept for modules that can bind to mixed G⋅C and A⋅T sequences of DNA is reported herein. Because of their successes in biological applications, minor‐groove‐binding heterocyclic cations were selected as the platform for design. Binding to A⋅T sequences requires hydrogen‐bond donors whereas recognition of the G‐NH2 requires an acceptor. The concept that we report herein uses pre‐organized N‐methylbenzimidazole (N‐MeBI) thiophene modules for selective binding with mixed bp DNA sequences. The interaction between the thiophene sigma hole (positive electrostatic potential) and the electron‐donor nitrogen of N‐MeBI preorganizes the conformation for accepting an hydrogen bond from G‐NH2. The compound–DNA interactions were evaluated with a powerful array of biophysical methods and the results show that N‐MeBI‐thiophene monomer compounds can strongly and selectively recognize single G⋅C bp sequences. Replacing the thiophene with other moieties significantly reduces binding affinity and specificity, as predicted by the design concept. These results show that the use of molecular features, such as sigma‐holes, can lead to new approaches for small molecules in biomolecular interactions.
Enantioselective Phase‐Transfer Catalyzed α‐Sulfanylation of Isoxazolidin‐5‐ones: An Entry to β2,2‐Amino Acid Derivatives
Authors: Cadart Timothée , Berthonneau Clément , Levacher Vincent , Perrio Stéphane , Brière Jean‐François
Published: September 2016

An unprecedented enantioselective α‐functionalization of C4‐substituted N‐alkoxycarbonyl isoxazolidin‐5‐ones, readily available platforms from Meldrum's acid derivatives, by N‐sulfanylphthalimide (PhthSR) electrophiles was achieved upon an efficient phase‐transfer catalytic approach, mediated by a commercial N‐spiro quaternary ammonium catalyst. Two catalytic activities of the in situ formed R4N+Phth− species were highlighted, the phtalimidate being involved in the anion metathesis event and likely as a Brønsted base. This sequence offers a straightforward access to α,α‐disubstituted isoxazolidinones, which turned out to be useful precursors of α‐sulfanyl‐β2,2‐amino acid derivatives.
Analysis of conjugated processes of film evaporation and condensation in a tubular heat exchanger
Authors: Merouani Lazhar , Abboudi Said , Boulahrouz Salim
Published: September 2016

This paper investigates coupled phase changes by forced convection from co‐current flows of liquid films and vapour‐air mixtures in a tubular heat exchanger. Evaporation occurs in the inner tube and condensation in the annulus region. Heat and mass transfers in the liquid films and the vapour‐gas mixtures are described by the conservation equations of momentum, energy, and diffusion. An appropriate change of coordinates is introduced in order to obtain a computational mesh with straight liquid‐mixture interfaces along the walls. The governing equations are discretized by an implicit finite differences method and solved using an efficient numerical methodology. The distributions of axial velocity, temperature, and vapour concentration in all regions of the tubes are determined from iterative procedures with a high convergence rate. The current analysis also provides the axial evolutions of film thicknesses, heat flux, condensation, and evaporation rates in the whole domain. In addition, the effects of the inlet parameters of Reynolds number, relative humidity, pressure, and liquid flow rate on the heat transfer characteristics, and the evaporation and condensation rates are also investigated.
NO reduction by CO over iron‐based catalysts supported by activated semi‐coke
Authors: Wang Luyuan , Cheng Xingxing , Wang Zhiqiang , Zhang Xingyu , Ma Chunyuan
Published: September 2016

Activated semi‐coke was developed and loaded by iron species and other assistant metals (Co, La, and Ce) using a hydrothermal method to obtain the abatement of NOx emissions from power plants and then used for NO removal by CO. These catalysts were systematically characterized by N2 physisorption, scanning electron microscopy, X‐ray diffraction, X‐ray photoelectron spectroscopy, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and the activity of NOx reduction. The results showed that the activated semi‐coke that was loaded by Fe species could achieve an excellent NOx conversion of 96.5 % at 350 °C with 0.2 g/g (20 wt%) of the precursor content (catalyst denoted as Fe20/ASC). This was ascribed to higher amounts of surface Fe3+ and chemisorbed oxygen. Furthermore, Co was the best promoter among Co, La, and Ce. This enhancement was attributed to the increase of the specific surface area and chemisorbed oxygen, as well as the formation of CoFe2O4. The synergistic effect between Fe and Co species was beneficial for the formation of oxygen vacancies, which could promote the adsorption and dissociation of NO. The in situ DRIFTS results indicated that the reaction for NOx removal by CO over activated semi‐coke supported catalysts mainly occurred between coordinated nitrates/nitryls and the adsorbed COx species.
Management trends for men with early‐stage nonseminomatous germ cell tumors of the testicle: An analysis of the National Cancer Database
Authors: Weiner Adam B. , Pearce Shane M. , Eggener Scott E.
Published: September 2016

BACKGROUND

Surveillance has been recommended more frequently as a postorchiectomy management option for men with early stage nonseminomatous germ cell tumor (NSGCT) of the testicle. It is unknown how contemporary treatment patterns reflect these recommendations.

METHODS

Data from the National Cancer Database were extracted on all men who were diagnosed with clinical stage (CS) IA or CSIB NSGCT between 2004 and 2013. Temporal trends in the use of chemotherapy, retroperitoneal lymph node dissection (RPLND), and surveillance were measured; and multivariable logistic regression was used to analyze the association of patient and clinical covariates with use of surveillance.

RESULTS

Of the 4080 men with CSIA NSGCT, 70%, 17%, and 13% received surveillance, RPLND, and chemotherapy, respectively. Surveillance increased in this group from 65% (2004‐2005) to 74% (2012‐2013: adjusted odds ratio, 1.50; 95% confidence interval, 1.14‐1.98; P = .004). Of the 2580 men who had CSIB NSGCT, 46%, 20%, and 34% received surveillance, RPLND, and chemotherapy, respectively. In this group, 48% of men underwent surveillance in the years 2004 to 2005 and 2012 to 2013 (adjusted P = .8). Upon multivariable analyses, higher income and the oldest age quartile were associated with increased odds of surveillance among men with CSIA NSGCT (both P < .050). Hispanic men with CSIB NSGCT were more likely to receive surveillance compared with non‐Hispanic white men (P = .001).

CONCLUSIONS

Nearly 75% of men with CSIA NSGCT and nearly 50% of men with CSIB NSGCT received surveillance in 2012 and 2013. The likelihood of receiving surveillance increased from 2004 through 2013 for men with CSIA NSGCT but was unchanged for men with CSIB. Cancer 2017;123:245–252. © 2016 American Cancer Society.
Unraveling Cold Molecular Collisions: Stark Decelerators in Crossed‐Beam Experiments
Authors: Onvlee Jolijn , Vogels Sjoerd N. , van de Meerakker Sebastiaan Y. T.
Published: September 2016

In the last two decades, enormous progress has been made in the manipulation of molecular beams. In particular, molecular decelerators have been developed with which advanced control over neutral molecules in a beam can be achieved. By using arrays of inhomogeneous and time‐varying electric (or magnetic) fields, bunches of molecules can be produced with a tunable velocity, narrow velocity spreads, and almost perfect quantum‐state purity. These monochromatic or “tamed” molecular beams are ideally suited to be used in crossed‐molecular‐beam scattering experiments. Here, we review the first generation of these “cold and controlled” scattering experiments that have been conducted in the last decade and discuss the prospects for this emerging field of research in the years to come.
Adaptive Biomedical Innovation: Evolving Our Global System to Sustainably and Safely Bring New Medicines to Patients in Need
Authors: Hirsch G , Trusheim M , Cobbs E , Bala M , Garner S , Hartman D , Isaacs K , Lumpkin M , Lim R , Oye K , Pezalla E , Saltonstall P , Selker H
Published: September 2016

The current system of biomedical innovation is unable to keep pace with scientific advancements. We propose to address this gap by reengineering innovation processes to accelerate reliable delivery of products that address unmet medical needs. Adaptive biomedical innovation (ABI) provides an integrative, strategic approach for process innovation. Although the term “ABI” is new, it encompasses fragmented “tools” that have been developed across the global pharmaceutical industry, and could accelerate the evolution of the system through more coordinated application. ABI involves bringing stakeholders together to set shared objectives, foster trust, structure decision‐making, and manage expectations through rapid‐cycle feedback loops that maximize product knowledge and reduce uncertainty in a continuous, adaptive, and sustainable learning healthcare system. Adaptive decision‐making, a core element of ABI, provides a framework for structuring decision‐making designed to manage two types of uncertainty – the maturity of scientific and clinical knowledge, and the behaviors of other critical stakeholders.
Real World Data in Adaptive Biomedical Innovation: A Framework for Generating Evidence Fit for Decision‐Making
Authors: Schneeweiss S , Eichler H‐G , Garcia‐Altes A , Chinn C , Eggimann A‐V , Garner S , Goettsch W , Lim R , Löbker W , Martin D , Müller T , Park BJ , Platt R , Priddy S , Ruhl M , Spooner A , Vannieuwenhuyse B , Willke RJ
Published: September 2016

Analyses of healthcare databases (claims, electronic health records [EHRs]) are useful supplements to clinical trials for generating evidence on the effectiveness, harm, use, and value of medical products in routine care. A constant stream of data from the routine operation of modern healthcare systems, which can be analyzed in rapid cycles, enables incremental evidence development to support accelerated and appropriate access to innovative medicines. Evidentiary needs by regulators, Health Technology Assessment, payers, clinicians, and patients after marketing authorization comprise (1) monitoring of medication performance in routine care, including the materialized effectiveness, harm, and value; (2) identifying new patient strata with added value or unacceptable harms; and (3) monitoring targeted utilization. Adaptive biomedical innovation (ABI) with rapid cycle database analytics is successfully enabled if evidence is meaningful, valid, expedited, and transparent. These principles will bring rigor and credibility to current efforts to increase research efficiency while upholding evidentiary standards required for effective decision‐making in healthcare.
Dislocation patterning and bunching in crystals and epitaxial layers ‐ a review
Authors: Rudolph Peter
Published: September 2016

Cellular patterning and dislocation bundling as structures of dislocation dynamics in as‐grown crystals and epitaxial layers are reviewed. Selected examples of multicrystalline (mc) silicon, III‐V and II‐VI compounds are presented. The origins of often overlaid dislocation networks varying by the cell scale and cell wall design are reported. The introduction in selected phenomenological fundamentals shows that dynamical polygonization basing on dislocation glide cannot be the only possible formation process. Even at high temperatures the point defect assisted climb plays a decisional role in the dislocation dynamics. Dissipative structuring via non‐equilibrium thermodynamics is considered. Reduction of thermo‐mechanical stress and control of stoichiometry are practical counter measures. Special attention is paid to the dislocation banding and their pile‐up at grain boundaries leading to dislocation bunching. On the other hand at heteroepitaxial processes the controlled banding of dislocations is used to grow out them laterally. Further, second phase inclusions are responsible for dislocation accumulations. Their incorporation must be avoided by good mixing of the fluid phase and composition control. The required bridge intensification between crystal growers and metal physicists as well as the need of in situ experiments and advanced numeric modeling is underlined.
Substrate and TBARS variability in a multi‐phase oxidation system
Authors: Ghani Md Ahsan , Barril Celia , Bedgood Danny R. , Prenzler Paul D.
Published: September 2016

The thiobarbituric acid reactive substances (TBARS) assay is widely used to measure antioxidant activity in the presence of lipid substrates such as linoleic acid (LA). In one version of this assay, LA is oxidized with and without antioxidant in a multi‐phase system in which LA lies over the surface of the aqueous layer of catalyst and antioxidant solution, with dissolved and atmospheric oxygen. Results from this assay showed low precision and therefore we conducted a systematic study to identify possible sources of variability including: order of addition of reactants; pre‐formed peroxides in LA (as precursors of TBARS); and the effect of different concentrations of added antioxidant, Trolox. These investigations showed that all contributed to variability of both formation of oxidation products and the antioxidant activity of Trolox. Furthermore, through the use of LA with pre‐formed peroxides removed, it was discovered that antioxidant activities reported in other studies using this system were most likely not due to the protective effect of antioxidant against formation of primary oxidation products. Rather, the antioxidant is likely to interfere with the radical scission of pre‐formed peroxides, resulting in lower TBARS.

Practical applications: The results obtained from the TBARS assay have been used to interpret the potential antioxidant value of compounds added to lipid‐containing food products, such as in oil and meat. Alternatively, the TBARS assay has been used to assess multiple compounds or extracts to rank their effectiveness as antioxidants, thus selecting the most active ones for further study. In both cases, pre‐formed peroxides in the system may not be routinely measured. The results from this study suggest that pre‐formed peroxides may have a large impact on the results of antioxidant studies when TBARS are the measure of oxidation. Therefore, further research in other systems is necessary to ensure that robust antioxidant measurements are being performed.

TBARS variability: absorbance values at 532 nm for different batches of linoleic acid. Absorbance values show TBARS variability in a multi‐phase oxidation system in measuring antioxidant activity of 250 and 1000 µM Trolox.
Oxygen Reduction on Anthraquinone Diazonium Compound Derivatised Multi‐walled Carbon Nanotube and Graphene Based Electrodes
Authors: Mooste Marek , Kibena‐Põldsepp Elo , Matisen Leonard , Tammeveski Kaido
Published: September 2016

In this work, graphene and multi‐walled carbon nanotubes were derivatised with anthraquinone (AQ) groups using spontaneous or electrochemical grafting of Fast Red AL salt. Glassy carbon (GC) electrodes were coated with AQ‐modified carbon nanomaterials to study the oxygen reduction reaction (ORR). These nanomaterials were characterised by X‐ray photoelectron spectroscopy and multilayer formation of AQ on the electrografted electrodes was observed. All the modified electrodes showed enhanced electrocatalytic activity towards the ORR in alkaline media. High AQ loading on the electrodes was found and the number of electrons transferred per O2 molecule was between 2 and 4. In addition, the stability testing of AQ‐derivatised carbon nanomaterial‐coated GC electrodes was performed.
Forecasting the Daily Time‐Varying Beta of European Banks During the Crisis Period: Comparison Between GARCH Models and the Kalman Filter
Authors: Zhang Yuanyuan , Choudhry Taufiq
Published: September 2016

This intention of this paper is to empirically forecast the daily betas of a few European banks by means of four generalized autoregressive conditional heteroscedasticity (GARCH) models and the Kalman filter method during the pre‐global financial crisis period and the crisis period. The four GARCH models employed are BEKK GARCH, DCC GARCH, DCC‐MIDAS GARCH and Gaussian‐copula GARCH. The data consist of daily stock prices from 2001 to 2013 from two large banks each from Austria, Belgium, Greece, Holland, Ireland, Italy, Portugal and Spain. We apply the rolling forecasting method and the model confidence sets (MCS) to compare the daily forecasting ability of the five models during one month of the pre‐crisis (January 2007) and the crisis (January 2013) periods. Based on the MCS results, the BEKK proves the best model in the January 2007 period, and the Kalman filter overly outperforms the other models during the January 2013 period. Results have implications regarding the choice of model during different periods by practitioners and academics. Copyright © 2016 John Wiley & Sons, Ltd.
Genesis of the Haigou gold deposit, Jilin Province, NE China: evidence from fluid inclusions,40Ar/39Ar geochronology and isotopes
Authors: Li Liang , Sun Jinggui , Men Lanjing , Chai Peng
Published: September 2016

The Haigou gold deposit is one of the largest known lode gold deposits in the Jiapigou‐Haigou gold belt of the Yanbian area of NE China. Although this area contains a significant amount of gold mineralization, identifying new resources has been problematic. Here, we present the results of a systematic study of the ore geology and fluid inclusion characteristics of deep‐seated mineralization in this area, as compiled from previous research. We use these data to determine the genetic processes that formed these deposits and outline the key criteria that should be used for future exploration. The Haigou deposit is hosted by a monzonitic granite (monzonite) with mineralization present within quartz veins. The gold mineralization is associated with silicification, and four stages of mineralization have been identified: milky quartz, pyrite‐quartz, quartz‐polymetallic sulphides and quartz‐carbonate. The second and third stages host the majority of the mineralization. Three main types of fluid inclusion are present within the deposit: CO2–H2O, aqueous and pure CO2. The early milky quartz vein stage of mineralization hosts CO2–H2O and aqueous inclusions, whereas the main stages of mineralization are associated with all three types of fluid inclusions, which are randomly distributed but are especially well developed within pyrite‐quartz veins. These stages of mineralization are also associated with clusters of CO2–H2O inclusions that coexist with large but variable amounts of aqueous phase fluid inclusions. The only fluid inclusions associated with the later stages of mineralization are aqueous inclusions within calcite‐quartz veins. Microthermometric data indicate that the inclusions associated with metallogenesis homogenize at 145–410 °C and contain medium‐ to low‐salinity fluids (<11.93 wt.% NaCl equivalent). The mineralization in this area formed during the Middle Jurassic (163–161 Ma), as evidenced by40Ar/39Ar dating of hydrothermal sericite from the main stage of mineralization. Integrated C‐H‐O‐S‐Pb isotope analysis indicates that the initial ore‐forming fluid was derived from CO2‐rich magmas produced by the anatexis of lower crustal material. This fluid is then mixed and underwent fluid immiscibility during ore formation. The Haigou gold deposit is a typical medium‐ to low‐temperature quartz lode gold deposit that formed after the collision of continental terranes during the transition from compressive to extensional tectonics. The data presented here indicate that this area has significant potential for deep‐seated mineralization; an area that should be the focus of future exploration. Copyright © 2016 John Wiley & Sons, Ltd.
Stationary Phases for Complexation Gas Chromatography and Microextraction Methods
Authors: Rykowska Iwona , Wasiak Wiesław
Published: September 2016

The main goal of this review is to provide an overview of the trends in the technological development of complexation gas chromatography. This kind of chromatography, despite the passage of years, continues to offer new opportunities. The authors would like to show how complexation gas chromatography evolved over the years, due to the variety of stationary phases with complexation properties, their ability to separate, very specifically, the structures of the molecules and chemical compounds, improving the quality of the obtained results, and continuously lowering the detection limits of the analysed compounds in very complex matrices, including environmental and medical samples. The work is dedicated to the memory of Professor E. Gil‐Av, whose scientific achievements were the inspiration for the improvement and widening of the research on the use of complexing metal ions and coordination metal compounds for selective separation in gas chromatography.