bluuebunny/crossref_metadata_2025 huggingface dataset:
Design, synthesis and in vitro cytotoxicity of novel dinuclear platinum(II) complexes with a tetradentate carrier ligand
Authors: Gao Chuan‐Zhu , Wang Tian‐Shuai , Zhang Yan , Chen Ji , Qian Yun‐Xu , Yang Bo , Zhang Ying‐Jie
Published: January 2015

Four novel dinuclear platinum complexes with a tetradentate ligand, (1R,1′R,2R,2′R)‐N1,N1′‐(1,2‐phenylenebis(methylene))dicyclohexane‐1,2‐diamine, as the carrier group, have been designed, synthesized and characterized, and their in vitro cytotoxicity against HepG‐2, A549, HCT‐116 and MCF‐7 cell lines evaluated using MTT assay. Results indicate that the targeted dinuclear platinum complexes H1, H2, H3, H4 exhibit significant growth inhibitory properties against HepG‐2, A549 and HCT‐116 cell lines, but none of them show activity against MCF‐7 cell line. Compound H4 shows better antitumor activity than carboplatin against HepG‐2, A549 and HCT‐116 cell lines. Copyright © 2015 John Wiley & Sons, Ltd.
Electrospun nylon 6,6 nanofibers functionalized with cyclodextrins for removal of toluene vapor
Authors: Kayaci Fatma , Sen Huseyin Sener , Durgun Engin , Uyar Tamer
Published: January 2015

Functional nylon 6,6 nanofibers incorporating cyclodextrins (CD) were developed via electrospinning. Enhanced thermal stability of the nylon 6,6/CD nanofibers was observed due to interaction between CD and nylon 6,6. X‐ray photoelectron spectroscopy and attenuated total reflectance Fourier transform infrared spectroscopy studies indicated the existence of some CD molecules on the surface of the nanofibers. Electrospun nylon 6,6 nanofibers without having CD were ineffective for entrapment of toluene vapor from the environment, whereas nylon 6,6/CD nanofibrous membranes can effectively entrap toluene vapor from the surrounding by taking advantage of the high surface‐volume ratio of nanofibers with the added advantage of inclusion complexation capability of CD presenting on the nanofiber surface. The modeling studies for formation of inclusion complex between CD and toluene were also performed by using ab initio techniques. Our results suggest that nylon 6,6/CD nanofibrous membranes may have potential to be used as air filters for the removal of organic vapor waste from surroundings. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 41941.
Mechanistic Studies of Magnetically Recyclable PdFe3O4 Heterodimeric Nanocrystal‐Catalyzed Organic Reactions
Authors: Byun Sangmoon , Chung Jooyoung , Kwon Jungmin , Moon Kim B.
Published: January 2015

Recently, we have reported several catalytic applications of new PdFe3O4 heterodimeric nanocrystals as magnetically separable catalysts. Successful applications of the nanocrystals towards various useful organic reactions such as Suzuki, Heck, and Sonogashira coupling reactions, direct CH arylation, and Wacker oxidation have been recorded. However, detailed mechanistic courses of the reactions have not been delineated, and it was not clear whether these processes proceeded through a homogeneous or heterogeneous mechanism. Here, we report detailed mechanistic investigations of the reactions employing the PdFe3O4 nanoparticle catalysts. Suzuki coupling and Wacker oxidation reactions were chosen as two representative heterogeneous reactions employing the PdFe3O4 catalysts, and general kinetic studies, hot filtration tests, and three‐phase tests were carried out for the two reactions. The studies showed that the reactions most probably proceed via a solution‐phase mechanism.
Highly Efficient Aerobic Oxidation of Alcohols by Using Less‐Hindered Nitroxyl‐Radical/Copper Catalysis: Optimum Catalyst Combinations and Their Substrate Scope
Authors: Sasano Yusuke , Kogure Naoki , Nishiyama Tomohiro , Nagasawa Shota , Iwabuchi Yoshiharu
Published: January 2015

The oxidation of alcohols into their corresponding carbonyl compounds is one of the most fundamental transformations in organic chemistry. In our recent report, 2‐azaadamantane N‐oxyl (AZADO)/copper catalysis promoted the highly chemoselective aerobic oxidation of unprotected amino alcohols into amino carbonyl compounds. Herein, we investigated the extension of the promising AZADO/copper‐catalyzed aerobic oxidation of alcohols to other types of alcohol. During close optimization of the reaction conditions by using various alcohols, we found that the optimum combination of nitroxyl radical, copper salt, and solution concentration was dependent on the type of substrate. Various alcohols, including highly hindered and heteroatom‐rich ones, were efficiently oxidized into their corresponding carbonyl compounds under mild conditions with lower amounts of the catalysts.
Highly efficient production of rare sugars D‐psicose and L‐tagatose by two engineered D‐tagatose epimerases
Authors: Bosshart Andreas , Wagner Nina , Lei Lei , Panke Sven , Bechtold Matthias
Published: January 2015

Rare sugars are monosaccharides that do not occur in nature in large amounts. However, many of them demonstrate high potential as low‐calorie sweetener, chiral building blocks or active pharmaceutical ingredients. Their production by enzymatic means from broadly abundant epimers is an attractive alternative to synthesis by traditional organic chemical means, but often suffers from low space‐time yields and high enzyme costs due to rapid enzyme degradation. Here we describe the detailed characterization of two variants of d‐tagatose epimerase under operational conditions that were engineered for high stability and high catalytic activity towards the epimerization of d‐fructose to d‐psicose and l‐sorbose to l‐tagatose, respectively. A variant optimized for the production of d‐psicose showed a very high total turnover number (TTN) of up to 108 catalytic events over a catalyst's lifetime, determined under operational conditions at high temperatures in an enzyme‐membrane reactor (EMR). Maximum space‐time yields as high as 10.6 kg L−1 d−1 were obtained with a small laboratory‐scale EMR, indicating excellent performance. A variant optimized for the production of l‐tagatose performed less stable in the same setting, but still showed a very good TTN of 5.8 × 105 and space‐time yields of up to 478 g L−1 d−1. Together, these results confirm that large‐scale enzymatic access to rare sugars is feasible. Biotechnol. Bioeng. 2016;113: 349–358. © 2015 Wiley Periodicals, Inc.
Heat‐precipitation allows the efficient purification of a functional plant‐derived malaria transmission‐blocking vaccine candidate fusion protein
Authors: Beiss Veronique , Spiegel Holger , Boes Alexander , Kapelski Stephanie , Scheuermayer Matthias , Edgue Gueven , Sack Markus , Fendel Rolf , Reimann Andreas , Schillberg Stefan , Pradel Gabriele , Fischer Rainer
Published: January 2015

Malaria is a vector‐borne disease affecting more than two million people and accounting for more than 600,000 deaths each year, especially in developing countries. The most serious form of malaria is caused byPlasmodium falciparum. The complex life cycle of this parasite, involving pre‐erythrocytic, asexual and sexual stages, makes vaccine development cumbersome but also offers a broad spectrum of vaccine candidates targeting exactly those stages. Vaccines targeting the sexual stage ofP. falciparumare called transmission‐blocking vaccines (TBVs). They do not confer protection for the vaccinated individual but aim to reduce or prevent the transmission of the parasite within a population and are therefore regarded as an essential tool in the fight against the disease. Malaria predominantly affects large populations in developing countries, so TBVs need to be produced in large quantities at low cost. Combining the advantages of eukaryotic expression with a virtually unlimited upscaling potential and a good product safety profile, plant‐based expression systems represent a suitable alternative for the production of TBVs. We report here the high level (300 μg/g fresh leaf weight (FLW)) transient expression inNicotiana benthamianaleaves of an effective TBV candidate based on a fusion protein F0 comprisingPfs25 and the C0‐domain ofPfs230, and the implementation of a simple and cost‐effective heat treatment step for purification that yields intact recombinant protein at >90% purity with a recovery rate of >70%. The immunization of mice clearly showed that antibodies raised against plant‐derived F0 completely blocked the formation of oocysts in a malaria transmission‐blocking assay (TBA) making F0 an interesting TBV candidate or a component of a multi‐stage malaria vaccine cocktail. Biotechnol. Bioeng. 2015;112: 1297–1305. © 2015 Wiley Periodicals, Inc.
Jurors Report that Risk Measure Scores Matter in Sexually Violent Predator Trials, but that Other Factors Matter More
Authors: Turner Darrel B. , Boccaccini Marcus T. , Murrie Daniel C. , Harris Paige B.
Published: January 2015

After deliberating to a verdict, jurors (N = 462) from 40 sexually violent predator (SVP) trials completed a questionnaire asking them to rate the extent to which risk measure scores, diagnoses, expert witness testimony, and offender characteristics described during the trials influenced their commitment decisions. Jurors reported that offenders' sexual offending history, failure to change, and lack of remorse had the strongest influence on their commitment decisions. They reported that testimony about risk instrument scores (e.g., Static‐99) and psychopathy had less influence on their decisions, but those who did report being influenced by instrument results were especially likely to view the offender as being at a high risk for reoffending. Overall, findings suggest that SVP jurors view risk measure results as important, but not as important as other offender, offense, and testimony characteristics, including some that have limited relevance to recidivism risk. Thus, findings also suggest that experts may need to better educate jurors regarding factors that do and do not relate to recidivism risk. Copyright © 2015 John Wiley & Sons, Ltd.
Controlled Synthesis of a Hexagonal‐Shaped NiO Nanocatalyst with Highly Reactive Facets {1 1 0} and Its Catalytic Activity
Authors: Patra Astam K. , Kundu Sudipta K. , Kim Dukjoon , Bhaumik Asim
Published: January 2015

A new facile chemical approach has been developed to produce hexagonal‐shaped NiO nanocrystals with high‐energy facets {1 1 0} under hydrothermal synthesis followed by annealing in the presence of air. The phase purity, crystallinity, shape/size, and mesostructure of NiO nanocrystals were investigated by powder XRD and high‐resolution transmission electron microscopy. The size, shape, and exposed crystal facets of the nanocrystals are the key factor for their physical and chemical properties. Herein, the chemical properties of hexagonal‐shaped NiO nanocrystals have been tested for the reduction of carbonyl compounds in comparison with NiO nanoparticles and bulk NiO materials. The reactivity of the NiO nanocrystals is enhanced dramatically through morphology evolution. In particular, hexagonal‐shaped NiO nanocrystals with highly reactive {1 1 0} facets exhibit approximately 12 and 25 % higher catalytic activity than NiO nanoparticles and bulk NiO, respectively. These hexagonal‐shaped NiO nanocrystals are active over several cycles for the reduction of carbonyl compounds to their respective alcohol in the presence of 2‐propanol.
Rapid Preparation of Perovskite Lead Niobate Nanosheets by Ultrasonic‐Assisted Exfoliation for Enhanced Visible‐Light‐Driven Photocatalytic Hydrogen Production
Authors: Hu Yuchao , Guo Liejin
Published: January 2015

Ultrathin perovskite lead niobate nanosheets, (TBA/H)Pb2Nb3O10, were rapidly prepared by novel high‐power ultrasonic exfoliation of layered HPb2Nb3O10, and were used as a photocatalyst for hydrogen production from methanol solution under visible light irradiation (λ>415 nm) for the first time. When compared with bulk HPb2Nb3O10, the nanosheets showed same tetragonal crystal structure, but dramatic decrease in thickness and two times higher photocatalytic hydrogen evolution activity. Enhanced photocatalytic performance resulted from the fact that the photoexcited electrons were more efficiently separated and utilized for H2 production on the nanosheets, owing to shorter migration distance of photoexcited electrons.
Effects of physico‐chemical pre‐treatment on the performance of an upflow anaerobic sludge blanket (UASB) reactor treating textile wastewater: application of full factorial central composite design
Authors: Verma Akshaya K. , Bhunia Puspendu , Dash Rajesh R. , Tyagi Rajeshwar D. , Surampalli Rao Y. , Zhang Tian C.
Published: January 2015

The aim of this work was to study the influence of the pre‐treatment step, influent chemical oxygen demand (COD), and hydraulic retention time (HRT) on the decolourization and COD removal efficiency of the upflow anaerobic sludge blanket (UASB) reactors for treating textile wastewater. Statistical models were formulated based on these three variables to optimize the decolourization and COD removal efficiency in the UASB reactor using a full factorial central composite design. The high correlation coefficients (R2 = 0.99) and the low p‐values (≤0.0001) reveal that the models and model terms are significant, which can be used to optimize the operational variables in an adequate way for the prediction of response variables. The COD removal efficiency of 70 % and decolourization efficiency of 81 % were observed for real textile wastewater treatment by UASB reactor without pre‐treatment. Whereas for pre‐treated real textile wastewater, these were 95 % and 100 %, respectively. The pre‐treatment using a pre‐investigated composite coagulant (MC + ACH) was vital in the overall treatment efficiency of the UASB reactor. Validation of model predictions for the treatment of synthetic and real textile wastewaters reveals the efficacy of these models for enhancing the decolourization and COD removal efficiency.
Waves in a Lennard‐Jones Dusty Plasma Liquid
Authors: Rosenberg M. , Kalman G. J. , Grewal V.
Published: January 2015

Recently it has been proposed to alter the interaction between dust grains in a plasma by applying ac electric fields to distort the Debye spheres surrounding the grains, which may lead to interaction potentials with a Lennard‐Jones form under certain conditions (e.g., Kompaneets et al., Phys. Plasmas 16, 043705 (2009)). Motivated by this, we consider the dispersion relations of longitudinal and transverse waves in a dusty plasma liquid where the grains interact via a Lennard‐Jones potential. We use the Quasi‐Localized Charge approximation combined with an analytic expression for the pair distribution function for Lennard‐Jones fluids (Matteoli and Mansoori, J. Chem. Phys. 103, 4672 (1995)). Possible dusty plasma experimental parameters are considered. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Characterisation of a Simple Non‐Thermal Atmospheric Pressure Plasma Source for Biomedical Research Applications
Authors: Gruenwald J. , Reynvaan J. , Eisenberg T. , Geistlinger P.
Published: January 2015

The recent progress in plasma medicine as well as biomedical aspects of plasma physics over the last years have enhanced the need for experimental plasma devices which are capable of producing non‐thermal atmospheric pressure plasmas. These plasma sources are used for studying the effect of non‐thermal plasmas on biological samples of different nature. In this paper we present such an easy to build low cost apparatus that can be used for scientific as well as for educational purposes. Directions for the construction of the device are given and the basic plasma parameters are investigated. The characterisation of the experiment was done by electrical diagnostics for the measurements of the plasma potential in combination with optical emission spectroscopy. The latter is used for the determination of the excitation temperature of the plasma and the electron density. Furthermore the influence of the produced plasma on yeast cells is demonstrated. The produced plasma is characterised in different ways and it was found that the feeding gas has also a considerable impact on the radio frequency wave form of the source. It is also demonstrated that the constructed plasma source is capable of producing non‐thermal plasma that hinder cell growth of yeast colonies on a agar substrate. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
A Spectrally Resolved Motional Stark Effect Diagnostic for the TJ‐II Stellarator
Authors: McCarthy K. J. , Panadero N. , López‐Fraguas A. , Hernández J. , van Milligen B.
Published: January 2015

A spectrally resolved motional stark effect (MSE) diagnostic has been implemented for the TJ‐II stellarator to quantify the magnitude and pitch of components of the magnetic field created in this magnetic confinement device. The system includes a compact diagnostic neutral beam injector (DNBI) that provides a short pulse of accelerated neutral hydrogen atoms with an e–1 beam radius of 2.1 cm to stimulate the Doppler‐displaced Balmer Hαs emissions, which are the basis for this diagnostic. Measurement of the wavelength separation of the Stark splitting of the Hα spectrum, as well as of the relative line intensities of its components, allow the local magnitude and direction of the internal magnetic field components to be measured at 10 positions across the plasma. The use of a DNBI extends such measurements to the electron cyclotron resonance (ECR) heated phases of plasmas while also overcoming the need for the complicated inversion techniques that are required when such measurements are performed with a heating neutral beam injector (NBI). Moreover, the use of the shot‐to‐shot technique with reproducible discharges further simplifies fits to the MSE spectra as nearby impurity spectral emission lines can be eliminated or significantly reduced. After outlining the principles of this technique and the diagnostic set‐up, magnetic field measurements made during ECR or NBI heating phases are reported for a range of magnetic configurations and are compared with vacuum magnetic field estimates in order to evaluate the capabilities and limitations of this diagnostic for the TJ‐II. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Phase Shifts and Scattering Cross Sections of the Particles of Non‐ideal Semiclassical Plasmas Based on the Dynamic Interaction Potential
Authors: Dzhumagulova K. N. , Shalenov E. O. , Ramazanov T. S. , Gabdullina G. L.
Published: January 2015

The elastic scattering processes of the charged particles in the dense nonideal plasma on the basis of the dynamic interaction potential were investigated. It is shown that dynamic charge screening increases the phase shifts and the scattering cross sections in comparison with static screening. The problem was solved on the basis of the Calogero equation for finding the phase shifts. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Polarization and Finite Size Effects in Correlation Functions of Dusty Plasmas
Authors: Davletov A. E. , Yerimbetova L. T. , Mukhametkarimov Ye. S. , Ospanova A. K.
Published: January 2015

An approach is presented to derive a pseudopotential model of interaction between dust particles that simultaneously takes into account the polarization, finite size and screening effects. The consideration starts from the assumption that the dust particles are hard balls made of a conductive material such that their mutual interaction and interaction with the electrons and ions of the buffer plasma can analytically be interpreted within the method of image charges. Then, the renormalization theory of plasma particles interaction, leading to the so‐called generalized Poisson‐Boltzmann equation, is applied to obtain the interaction potential of two isolated dust grains immersed into the buffer plasma of electrons and ions. After that the Ornstein‐Zernike relation in the hyper‐netted chain approximation (HNC) is numerically solved to study the radial distribution function and the static structure factor of the dust grains. In doing so the system of hard balls is actually replaced by a system of point‐like charges with properly adjusted number density in the form of van der Waals correction. A straightforward comparison is made with the Monte‐Carlo simulation to find a fairly good agreement for the radial distribution function at relatively high dust couplings. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Inhomogeneous Models of Jupiter and Saturn
Authors: Nettelmann N.
Published: January 2015

The H‐He rich giant planets Jupiter and Saturn serve to test predictions on the high‐pressure behavior of hydrogen and helium. Incorporating the process of H/He phase separation and He rain, or of core erosion, into planet structure and evolution models leads naturally to the assumption of inhomogeneous planetary interiors. In this article we review and discuss recent developments in that regard. It is found that Saturn's luminosity is consistent with a semi‐convective thick shell where the heavy element abundance changes continuously, and that Jupiter's luminosity can as well be explained by a balance between additional gravitational energy and reduced cooling through a He‐rain zone. We present the first Jupiter structure models that include a superadiabatic shell. Using the SCvHi EOS, Jupiter emerges as a mostly homogeneous body apart from a He‐rain zone at a few Megabars. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Low‐Density Crystals in Charged Colloids: Comparison with Yukawa Theory
Authors: Rios de Anda I. , Statt A. , Turci F. , Royall C.P.
Published: January 2015

Charged colloids can behave as Yukawa systems, with similar phase behaviour. Using particle‐resolved studies, we consider a system with an unusually long Debye screening length which forms crystals at low colloid volume fraction φ ≈ 0.01. We quantitatively compare this system with the Yukawa model and find that its freezing point is compatible with the theoretical prediction but that the crystal polymorph is not always that expected. In particular we find body‐centred cubic crystals where face‐centred cubic crystals are expected. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
The brighter (and evolutionarily older) face of the metabolic syndrome: evidence from Trypanosoma cruzi infection in CD‐1 mice
Authors: Brima Wunnie , Eden Daniel J. , Mehdi Syed Faizan , Bravo Michelle , Wiese Mohammad M. , Stein Joanna , Almonte Vanessa , Zhao Dazhi , Kurland Irwin , Pessin Jeffrey E. , Zima Tomas , Tanowitz Herbert B. , Weiss Louis M. , Roth Jesse , Nagajyothi Fnu
Published: January 2015

Background

Infection with Trypanosoma cruzi, the protozoan parasite that causes Chagas disease, results in chronic infection that leads to cardiomyopathy with increased mortality and morbidity in endemic regions. In a companion study, our group found that a high‐fat diet (HFD) protected mice from T. cruzi‐induced myocardial damage and significantly reduced post‐infection mortality during acute T. cruzi infection.

Methods

In the present study metabolic syndrome was induced prior to T. cruzi infection by feeding a high fat diet. Also, mice were treated with anti‐diabetic drug metformin.

Results

In the present study, the lethality of T. cruzi (Brazil strain) infection in CD‐1 mice was reduced from 55% to 20% by an 8‐week pre‐feeding of an HFD to induce obesity and metabolic syndrome. The addition of metformin reduced mortality to 3%.

Conclusions

It is an interesting observation that both the high fat diet and the metformin, which are known to differentially attenuate host metabolism, effectively modified mortality in T. cruzi‐infected mice. In humans, the metabolic syndrome, as presently construed, produces immune activation and metabolic alterations that promote complications of obesity and diseases of later life, such as myocardial infarction, stroke, diabetes, Alzheimer's disease and cancer. Using an evolutionary approach, we hypothesized that for millions of years, the channeling of host resources into immune defences starting early in life ameliorated the effects of infectious diseases, especially chronic infections, such as tuberculosis and Chagas disease. In economically developed countries in recent times, with control of the common devastating infections, epidemic obesity and lengthening of lifespan, the dwindling benefits of the immune activation in the first half of life have been overshadowed by the explosion of the syndrome's negative effects in later life. Copyright © 2015 John Wiley & Sons, Ltd.
Structure–Activity Relationships in the Domain of Odorants Having Marine Notes
Authors: Gaudin Jean‐Marc , de Saint Laumer Jean‐Yves
Published: January 2015

Continuing our investigations into marine note odorants, we herein describe several new scaffolds. Among them, 2,3‐dihydrobenzofuran‐2‐carbaldehyde is particularly interesting. The results demonstrate that the seven‐membered ring with a ketone functional group of the Calone 1951® family can be replaced by a five‐membered ring carrying an aldehyde function. In addition, this work has allowed us to discover the valuable 2‐methoxy‐4‐methylphenyl methyl carbonate (20b), which is very close to vanillin, and 2‐methoxy‐2,4‐dimethyl‐1,3‐benzodioxole (29d), which belongs to the isoeugenol/dihydroeugenol olfactive family.
Critical predicted no effect concentrations (PNECs) should not be based on a single toxicity test
Authors: Chapman Peter M. , Elphick James R.
Published: January 2015

Predicted no-effect concentrations (PNECs), which represent the concentration of a substance below which an unacceptable effect most likely will not occur, are widely used for risk assessment and in environmental policy and regulation. They are typically based on single-species laboratory toxicity tests; often, a single test result for the most sensitive endpoints drives the derivation of a PNEC. In the present study, the authors provide a case study emphasizing the importance of determining the reliability of those most sensitive endpoints. Five 21-d Daphnia magna toxicity tests conducted using the same procedures by 2 laboratories gave 20% inhibitory concentration responses to a specific ionic composition of total dissolved solids that varied from 684 mg/L to more than 1510 mg/L. The concentration–response curve was shallow; thus, these differences could have been attributable to chance alone. The authors strongly recommend that the most sensitive endpoints that determine PNECs not be based on a single toxicity test result but rather on the geometric mean of at least 3 test results to adequately assess and bound test variability, especially when the concentration–response curve is shallow. Environ Toxicol Chem 2015;34:1088–1090. © 2015 SETAC
Absorption of omega‐3 fats from carbohydrate and proteinaceous food matrices before and after storage
Authors: Smith Tracey J. , Barrett Ann , Anderson Danielle , Wilson Marques A. , Young Andrew J. , Montain Scott J.
Published: January 2015

Development of n‐3 fortified, shelf‐stable foods is facilitated by encapsulated docosahexaenoic acid (DHA) and eicosapentaenoic acid (EPA), since natural n‐3 food sources cannot withstand high temperature and prolonged shelf life. Organoleptic stability of n‐3 fortified, shelf‐stable foods has been demonstrated, but chemical changes in the food matrix throughout storage could conceivably impact digestibility of the protein‐based encapsulant thereby compromising n‐3 bioavailability. We assessed the effect of prolonged high‐temperature storage and variations in food matrix (proteinaceous or carbohydrate) on the time course and magnitude of blood fatty acids changes associated with ingestion of n‐3 fortified foods. Low‐protein (i.e., cake) and high‐protein (i.e., meat sticks) items were supplemented with 600 mg encapsulated DHA+EPA, and frozen either immediately after production (FRESH) or after 6 months storage at 100°F (STORED). Fourteen volunteers consumed one item per week (randomized) for 4 weeks. Blood samples obtained at baseline, 2, 4, and 6 h post‐consumption were analyzed for circulating long‐chain omega 3 fatty acids (LCn3). There was no difference in LCn3 area under the curve between items. LCn3 in response to cakes peaked at 2‐h (FRESH: 54.0 ± 16.8 μg/mL, +18%; STORED: 53.0 ± 13.2 μg/mL, +20%), while meats peaked at 4‐h (FRESH: 51.9 ± 12.5 μg/mL, +22%; STORED: 53.2 ± 16.9 μg/mL, +18%). There were no appreciable differences in time course or magnitude of n‐3 appearance in response to storage conditions for either food types. Thus, bioavailability of encapsulated DHA/EPA, within low‐ and high‐protein food items, was not affected by high‐temperature shelf‐storage. A shelf‐stable, low‐ or high‐protein food item with encapsulated DHA/EPA is suitable for use in shelf‐stable foods.
Brushite foams—the effect of Tween® 80 and Pluronic® F‐127 on foam porosity and mechanical properties
Authors: Unosson Johanna , Montufar Edgar B. , Engqvist Håkan , Ginebra Maria‐Pau , Persson Cecilia
Published: January 2015

Resorbable calcium phosphate based bone void fillers should work as temporary templates for new bone formation. The incorporation of macropores with sizes of 100 −300 µm has been shown to increase the resorption rate of the implant and speed up bone ingrowth. In this work, macroporous brushite cements were fabricated through foaming of the cement paste, using two different synthetic surfactants, Tween® 80 and Pluronic® F‐127. The macropores formed in the Pluronic samples were both smaller and less homogeneously distributed compared with the pores formed in the Tween samples. The porosity and compressive strength (CS) were comparable to previously developed hydroxyapatite foams. The cement foam containing Tween, 0.5M citric acid in the liquid, 1 mass% of disodium dihydrogen pyrophosphate mixed in the powder and a liquid to powder ratio of 0.43 mL/g, showed the highest porosity values (76% total and 56% macroporosity), while the CS was >1 MPa, that is, the hardened cement could be handled without rupture of the foamed structure. The investigated brushite foams show potential for future clinical use, both as bone void fillers and as scaffolds for in vitro bone regeneration. © 2015 The Authors. Journal of Biomedical Materials Research Part B: Applied Biomaterials Published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 67–77, 2016.
Synthesis of a [14C]‐steroid intermediate: an application of a nonstabilized Horner–Wadsworth–Emmons olefination approach
Authors: Rivera Nelo R. , Ren Sumei , Hesk David
Published: January 2015

Radiolabeled steroid derivative 1 was successfully prepared using a Horner–Wadsworth–Emmons approach: a [14C]‐label was efficiently incorporated into the C‐18 position of the molecule. Previously published procedures employing other olefination methods are either not applicable due to unavailability of [14C]‐precursors or suffer from poor reactivity.
Revisiting the streptavidin–biotin binding by using an aptamer and displacement isothermal calorimetry titration
Authors: Kuo Tai‐Chih , Tsai Ching‐Wei , Lee Peng‐Chen , Chen Wen‐Yih
Published: January 2015

The association constant of a well‐known streptavidin–biotin binding has only been inferred from separately measured kinetic parameters. In a single experiment, we obtained Ka 1  ×  1012 M−1 by using a streptavidin–binding aptamer and ligand‐displacement isothermal titration calorimetry. This study explores the challenges of determining thermodynamic parameters and the derived equilibrium binding affinity of tight ligand–receptor binding. Copyright © 2015 John Wiley & Sons, Ltd.
Comparing segmented ASL perfusion of vascular territories using manual versus semiautomated techniques in children with sickle cell anemia
Authors: Helton Kathleen J. , Glass John O. , Reddick Wilburn E. , Paydar Amir , Zandieh Arash R. , Dave Rachna , Smeltzer Matthew P. , Wu Song , Hankins Jane , Aygun Banu , Ogg Robert J.
Published: January 2015

Purpose

Elevated cerebral blood flow (CBF) in sickle cell anemia (SCA) is an adaptive pathophysiologic response associated with decreased vascular reserve and increased risk for ischemia. We compared manual (M) and semiautomated (SA) vascular territory delineation to facilitate standardized evaluation of CBF in children with SCA.

Materials and Methods

ASL perfusion values from 21 children were compared for gray matter and white matter (WM) in vascular territories defined by M and SA delineation. SA delineated CBF was compared with clinical and hematologic variables acquired within 4 weeks of the MRI.

Results

CBF measurements from M (MCA 82 left, 79 right) and SA (MCA 81 left, 81 right) delineated territories were highly correlated (R = 0.99, P < 0.0001). Bland‐Altman plots had close‐fitting limits of agreement of −1.8 to −3.5 lower limit and 0 to 1.8 upper limit. SA vascular territory delineation was comparable to the expert delineation with a kappa index of 0.62–0.85 and was considerably faster. Median territorial CBF values did not differ by gender or age. WM perfusion in the posterior cerebral artery territories was positively correlated with degree of hemolysis (R = 0.58, P = 0.01 left, 0.73, P < 0.001 right) and negatively correlated with hemoglobin (R = −0.48; P = 0.03 left; −0.47; P = 0.04 right) and hemoglobin F (R = −0.42; P = .09 left; −0.47; P = 0.049 right).

Conclusion

We established the validity of the SA method, which in our experience was much faster than the M method for delineation of vascular territories. Associations between CBF and hematologic variables may demonstrate pathophysiologic changes that contribute to clinical variation in CBF. J. Magn. Reson. Imaging 2015;41:439–446.© 2013 Wiley Periodicals, Inc.
Temperature dependence of the Raman line width in diamond: Revisited
Authors: Surovtsev N. V. , Kupriyanov I. N.
Published: January 2015

Despite more than 60‐year history of Raman scattering studies of diamond, considerable discrepancies between values of the Raman linewidth and its temperature dependence reported by different authors still exist. In this paper we report on the Raman scattering measurements performed for synthetic diamond crystals with nitrogen impurity content below 1 ppm (type IIa) and dislocation density 102–103 cm−2 over the temperature range of 50–1000 K. The spectra were recorded with a high spectral resolution (~0.3 cm−1) and thoroughly analyzed to account for the instrumental response. The results demonstrate unequivocally that the temperature dependence of the Raman line width is well described by a model which assumes both three‐phonon and four‐phonon anharmonic processes. Elimination of the discrepancies in the line width description advances the Raman scattering technique in the characterization of diamonds with different crystalline quality, defect and/or impurity concentration. Copyright © 2015 John Wiley & Sons, Ltd.
Monitoring chemical reactions by low‐field benchtop NMR at 45 MHz: pros and cons
Authors: Silva Elipe Maria Victoria , Milburn Robert R.
Published: January 2015

Monitoring chemical reactions is the key to controlling chemical processes where NMR can provide support. High‐field NMR gives detailed structural information on chemical compounds and reactions; however, it is expensive and complex to operate. Conversely, low‐field NMR instruments are simple and relatively inexpensive alternatives. While low‐field NMR does not provide the detailed information as the high‐field instruments as a result of their smaller chemical shift dispersion and the complex secondary coupling, it remains of practical value as a process analytical technology (PAT) tool and is complimentary to other established methods, such as ReactIR and Raman spectroscopy. We have tested a picoSpin‐45 (currently under ThermoFisher Scientific) benchtop NMR instrument to monitor three types of reactions by 1D 1H NMR: a Fischer esterification, a Suzuki cross‐coupling, and the formation of an oxime. The Fischer esterification is a relatively simple reaction run at high concentration and served as proof of concept. The Suzuki coupling is an example of a more complex, commonly used reaction involving overlapping signals. Finally, the oxime formation involved a reaction in two phases that cannot be monitored by other PAT tools. Here, we discuss the pros and cons of monitoring these reactions at a low‐field of 45 MHz by 1D 1H NMR. Copyright © 2015 John Wiley & Sons, Ltd.
Quantitative chemical exchange saturation transfer (qCEST) MRI – omega plot analysis of RF‐spillover‐corrected inverse CEST ratio asymmetry for simultaneous determination of labile proton ratio and exchange rate
Authors: Wu Renhua , Xiao Gang , Zhou Iris Yuwen , Ran Chongzhao , Sun Phillip Zhe
Published: January 2015

Chemical exchange saturation transfer (CEST) MRI is sensitive to labile proton concentration and exchange rate, thus allowing measurement of dilute CEST agent and microenvironmental properties. However, CEST measurement depends not only on the CEST agent properties but also on the experimental conditions. Quantitative CEST (qCEST) analysis has been proposed to address the limitation of the commonly used simplistic CEST‐weighted calculation. Recent research has shown that the concomitant direct RF saturation (spillover) effect can be corrected using an inverse CEST ratio calculation. We postulated that a simplified qCEST analysis is feasible with omega plot analysis of the inverse CEST asymmetry calculation. Specifically, simulations showed that the numerically derived labile proton ratio and exchange rate were in good agreement with input values. In addition, the qCEST analysis was confirmed experimentally in a phantom with concurrent variation in CEST agent concentration and pH. Also, we demonstrated that the derived labile proton ratio increased linearly with creatine concentration (P < 0.01) while the pH‐dependent exchange rate followed a dominantly base‐catalyzed exchange relationship (P < 0.01). In summary, our study verified that a simplified qCEST analysis can simultaneously determine labile proton ratio and exchange rate in a relatively complex in vitro CEST system. Copyright © 2015 John Wiley & Sons, Ltd.
Improving interfacial interaction of l‐phenylalanine‐functionalized graphene nanofiller and poly(vinyl alcohol) nanocomposites for obtaining significant membrane properties: Morphology, thermal, and mechanical studies
Authors: Abdolmaleki Amir , Mallakpour Shadpour , Borandeh Sedigheh
Published: January 2015

In polymer nanocomposite synthesis, the challenges are achieving well dispersion of nanofiller and its maximum interfacial interaction with polymer matrix at low loading percent. In this study, the preparation of poly (vinyl alcohol) (PVA) nanocomposites with l‐phenylalanine‐functionalized graphene (f‐graphene) using a simple water solution processing method is reported. Graphene layers were functionalized with l‐phenylalanine amino acid as a biocompatible and environmentally friendly modifier. The obtained PVA/f‐graphene nanocomposite membranes were smooth, uniform, and flexible. Efficient interaction was found between f‐graphene and PVA matrix, which caused significant improvement in mechanical and thermal properties of the graphene‐based nanocomposite with homogeneous dispersion. POLYM. COMPOS., 37:1924–1935, 2016. © 2015 Society of Plastics Engineers
Sequential analysis of the normal fetal fissures with three‐dimensional ultrasound: a longitudinal study
Authors: Contro Elena , Salsi Ginevra , Montaguti Elisa , Morganelli Giovanni , Pilu Gianluigi , Rizzo Nicola , Bonasoni Paola , Ghi Tullio
Published: January 2015

Objective

To perform a sequential analysis of the main cortical fissures in normal fetuses using 3D ultrasound.

Methods

A cohort of patients with uncomplicated singleton pregnancies underwent three consecutive transabdominal scans at 19–21, 26–28 and 30–34 weeks. Volumes of the fetal head were acquired and searched in the multiplanar mode for the following cortical fissures: sylvian, parieto‐occipital, calcarine, hippocampus and cingulate. A qualitative analysis of these sulci was performed in each volume by an experienced operator (A) and a trainee (B). By placing the dot on the sulcus in one plane, it was evaluated whether it was visible also in other planes.

Results

Fifty patients were included in the study. At 19–21 weeks, the sylvian and parieto‐occipital sulci were visualized on at least one plane by both operators in all cases. At 26–28 weeks, all fissures were visualized by both operators on at least one plane, with no significant difference between the performances of the two operators. At 30–34 weeks, a mild overall decline in the accuracy of identification of all the cerebral fissures was observed.

Conclusions

3D multiplanar mode allows a systematic evaluation of the cortical fissures in normal fetuses since midtrimester. © 2015 John Wiley & Sons, Ltd.
Development and validation of a treatment progress scale for personality disordered offenders
Authors: Baliousis Michael , Huband Nick , Duggan Conor , McCarthy Lucy , Völlm Birgit
Published: January 2015

Background

There is a need for a measure to evaluate change in treatment for offenders with a personality disorder, and the Progress Rating Scale (PRS) was developed to meet this need taking account of multiprofessional input.

Method

The PRS comprises six process and five non‐process items developed via thematic analysis of routine CPA patient treatment reports at a forensic Personality Disorder Service. Rating for items was fully standardized and operationalized with revisions aiming to maximize inter‐rater agreement reflecting good face and content validity. Psychometric properties were examined using PRS ratings for 147 patients at three different time points in conjunction with relevant psychometrics.

Results

Following refinement, the instrument demonstrated good content validity. Intra‐class correlations suggested moderate to substantial inter‐rater agreement (intraclass correlations: 0.63–0.92). Item analyses indicated good internal consistency for process items (Cronbach's alpha: 0.82–0.88). Correlations with relevant psychometrics revealed meaningful relationships between PRS scores, defence styles and social problem solving. PRS score trajectories were in line with previously known treatment outcomes supporting predictive validity.

Conclusion

The PRS shows promise as process measure in clinical settings but requires further testing on other samples to confirm initial findings and demonstrate its utility. Copyright © 2015 John Wiley & Sons, Ltd.
Compartment resolved reference proteome map from highly purified naïve, activated, effector, and memory CD8+ murine immune cells
Authors: Zanker Damien , Otto Wolfgang , Chen Weisan , von Bergen Martin , Tomm Janina M.
Published: January 2015

Differentiation of CD8+ T lymphocytes into effector and memory cells is key for an adequate immune response and relies on complex interplay of pathways that convey signals from the cell surface to the nucleus. In this study, we investigated the proteome of four cytotoxic T‐cell subtypes; naïve, recently activated effector, effector, and memory cells. Cells were fractionated into membrane, cytosol, soluble nuclear, chromatin‐bound, and cytoskeletal compartments. Following LC‐MS/MS analysis, identified peptides were analyzed via MaxQuant. Compartment fractionation and gel‐LC‐MS separation resulted in 2399 proteins identified in total. Comparison between the different subsets resulted in 146 significantly regulated proteins for naïve and effector cells, followed by 116 for activated, and 55 for memory cells. Besides Granzyme B signaling (for activated and/ or effector cells vs. naïve cells), the most prominent changes occurred in the TCA cycle and aspartate degradation. These changes suggest that correct balancing of metabolism is key for differentiation processes. All MS data have been deposited in the ProteomeXchange with identifier PXD001065 (http://proteomecentral.proteomexchange.org/dataset/PXD001065).
The Escherichia coli O157:H7 cattle immunoproteome includes outer membrane protein A (OmpA), a modulator of adherence to bovine rectoanal junction squamous epithelial (RSE) cells
Authors: Kudva Indira T. , Krastins Bryan , Torres Alfredo G. , Griffin Robert W. , Sheng Haiqing , Sarracino David A. , Hovde Carolyn J. , Calderwood Stephen B. , John Manohar
Published: January 2015

Building on previous studies, we defined the repertoire of proteins comprising the immunoproteome (IP) of Escherichia coli O157:H7 (O157) cultured in DMEM supplemented with norepinephrine (O157 IP), a β‐adrenergic hormone that regulates E. coli O157 gene expression in the gastrointestinal tract, using a variation of a novel proteomics‐based platform proteome mining tool for antigen discovery, called “proteomics‐based expression library screening” (PELS; Kudva et al., 2006). The E. coli O157 IP (O157‐IP) comprised 91 proteins, and included those identified previously using proteomics‐based expression library screening, and also proteins comprising DMEM and bovine rumen fluid proteomes. Outer membrane protein A (OmpA), a common component of the above proteomes, and reportedly a contributor to E. coli O157 adherence to cultured HEp‐2 epithelial cells, was interestingly found to be a modulator rather than a contributor to E. coli O157 adherence to bovine rectoanal junction squamous epithelial cells. Our results point to a role for yet to be identified members of the O157‐IP in E. coli O157 adherence to rectoanal junction squamous epithelial cells, and additionally implicate a possible role for the outer membrane protein A regulator, TdcA, in the expression of such adhesins. Our observations have implications for the development of efficacious vaccines for preventing E. coli O157 colonization of the bovine gastrointestinal tract.
NF023 binding to XIAP‐BIR1: Searching drugs for regulation of the NF‐κB pathway
Authors: Cossu Federica , Milani Mario , Grassi Serena , Malvezzi Francesca , Corti Alessandro , Bolognesi Martino , Mastrangelo Eloise
Published: January 2015

Inhibitor of Apoptosis Proteins (IAPs) are the target of extensive research in the field of cancer therapy since they regulate apoptosis and cell survival. Smac‐mimetics, the most promising IAP‐targeting compounds specifically recognize the IAP‐BIR3 domain and promote apoptosis, competing with caspases for IAP binding. Furthermore, Smac‐mimetics interfere with the NF‐κB survival pathway, inducing cIAP1 and cIAP2 degradation through an auto‐ubiquitination process. It has been shown that the XIAP‐BIR1 (X‐BIR1) domain is involved in the interaction with TAB1, an upstream adaptor for TAK1 kinase activation, which in turn couples with the NF‐κB survival pathway. Preventing X‐BIR1 dimerization abolishes XIAP‐mediated NF‐κB activation, thus implicating a proximity‐induced mechanism for TAK1 activation. In this context, in a systematic search for a molecule capable of impairing X‐BIR1/TAB1 assembly, we identified the compound NF023. Here we report the crystal structure of the human X‐BIR1 domain in the absence and in the presence of NF023, as a starting concept for the design of novel BIR1‐specific compounds acting synergistically with existing pro‐apoptotic drugs in cancer therapy. Proteins 2015; 83:612–620. © 2015 Wiley Periodicals, Inc.