bluuebunny/crossref_metadata_2025 huggingface dataset:
Visible Light‐Promoted Decarboxylative Di‐ and Trifluoromethylthiolation of Alkyl Carboxylic Acids
Authors: Candish Lisa , Pitzer Lena , Gómez‐Suárez Adrián , Glorius Frank
Published: February 2016

Described herein is a new and straightforward decarboxylative di‐ and trifluoromethylthiolation of alkyl carboxylic acids promoted by visible light. This approach enables the synthesis of biologically relevant alkyl SCF2H and SCF3 compounds from cheap and abundant carboxylic acids. The method is operationally simple, using irradiation from household light sources, and its mild reaction conditions make it tolerant of a range of functional groups. The strategy employs electrophilic phthalimide‐derived di‐ and trifluoromethylthiolation reagents and exploits the ability of the imidyl radical to carry a radical chain.
Water Purification: Adsorption over Metal‐Organic Frameworks
Authors: Li Siqing , Chen Yifa , Pei Xiaokun , Zhang Shenghan , Feng Xiao , Zhou Junwen , Wang Bo
Published: February 2016

Water pollution relating to human beings' health is a universal problem across community society. Highly efficient, economically feasible and easily achievable approaches are long‐sought‐after for water purification. Adsorption processes with porous materials (e.g. zeolites, activated carbon, silica gel, metal‐organic frameworks (MOFs)) have drawn much attention in this field during past decades. In it, MOFs with numerous active sites, uniform porosity and tailorable structure diversity are arising to be one of the most promising adsorbents for water purification. During the adsorption processes, influence factors that determine or affect the usability and performances of MOFs are mainly focused on the stability of MOFs, their affinity for contaminants and the conducting conditions (pH, initial concentration of the contaminants). In this review, we will systematically present the performances of MOFs (mainly focused on MOF crystals, MOF nanomaterial or MOF composites will be beyond the scope of this review) for contaminants purification (inorganic and organic contaminants) in water and give a detailed discussion about the connection among their performances, conducting condition factors and potential interaction mechanisms (e.g. electrostatic interactions, coordination or p‐p interaction). We hope this review will be beneficial to the design, regeneration and reuse of MOF adsorbents and promote the development of MOFs for water purification.
Externally Controlled Nanomachines on Mesoporous Silica Nanoparticles for Biomedical Applications
Authors: Rühle Bastian , Saint‐Cricq Philippe , Zink Jeffrey I.
Published: February 2016

Many machines (including nanomachines) consist of a solid support with moving parts that can undergo large amplitude motion to carry out specific tasks. In this Minireview, we will describe nanomachines that are supported on mesoporous silica nanoparticles that are typically 50–100 nanometers in diameter and have an array of open, readily accessible pores with an average width of a few nanometers. For triggering a large amplitude motion of the moving parts, we will focus primarily on external stimuli such as heat or light. As for the specific task the machines are carrying out, this Minireview will focus on the controlled release of pharmaceutically active agents in biomedical applications. We will discuss examples of how nanomachines can be used for remotely controlled cargo release and how existing machines that were originally designed to respond to internal physiological stimuli could be reconfigured to respond to external stimuli instead.
Limits of Molecular Dithienylethene Switches Caused by Ferrocenyl Substitution
Authors: Escribano Alejandra , Steenbock Torben , Herrmann Carmen , Heck Jürgen
Published: February 2016

The efficiency of photochromic switches can be modified by attaching organic or organometallic groups to the photochromic core. We studied ferrocene‐substituted dithienylethene switches differing by the size of the cycloalkene ring bridging the two thiophene groups. The results were compared with their chlorine‐substituted counterparts and an ethynyl‐ferrocene substituted switch published earlier by Guirado and co‐workers. From the measured UV/Vis spectra, both ferrocene‐substituted compounds were found to be considerably less likely to switch than the corresponding chlorine‐substituted ones. Kohn–Sham density functional theory calculations suggested that this is due to a multitude of energetically close‐lying excited states in the former, which may offer multiple pathways for excitation and relaxation, out of which only one leads to ring opening or closing. By contrast, the chlorine‐substituted switches have one energetically more isolated state that is responsible for the switching. The increase in the available excited states in the ferrocene‐substituted switches was attributed to mixing between orbitals from the ferrocene units and the π system of the bridge.
Window functions and sigmoidal behaviour of memristive systems
Authors: Georgiou P. S. , Yaliraki S. N. , Drakakis E. M. , Barahona M.
Published: February 2016

A common approach to model memristive systems is to include empirical window functions to describe edge effects and nonlinearities in the change of the memristance. We demonstrate that under quite general conditions, each window function can be associated with a sigmoidal curve relating the normalised time‐dependent memristance to the time integral of the input. Conversely, this explicit relation allows us to derive window functions suitable for the mesoscopic modelling of memristive systems from a variety of well‐known sigmoidals. Such sigmoidal curves are defined in terms of measured variables and can thus be extracted from input and output signals of a device and then transformed to its corresponding window. We also introduce a new generalised window function that allows the flexible modelling of asymmetric edge effects in a simple manner. Copyright © 2016 John Wiley & Sons, Ltd.
Incremental validity of the episode size criterion in binge‐eating definitions: An examination in women with purging syndromes
Authors: Forney K. Jean , Bodell Lindsay P. , Haedt‐Matt Alissa A. , Keel Pamela K.
Published: February 2016

Objective

Of the two primary features of binge eating, loss of control (LOC) eating is well validated while the role of eating episode size is less clear. Given the ICD‐11 proposal to eliminate episode size from the binge‐eating definition, the present study examined the incremental validity of the size criterion, controlling for LOC.

Method

Interview and questionnaire data come from four studies of 243 women with bulimia nervosa (n = 141) or purging disorder (n = 102). Hierarchical linear regression tested if the largest reported episode size, coded in kilocalories, explained additional variance in eating disorder features, psychopathology, personality traits, and impairment, holding constant LOC eating frequency, age, and body mass index (BMI). Analyses also tested if episode size moderated the association between LOC eating and these variables.

Results

Holding LOC constant, episode size explained significant variance in disinhibition, trait anxiety, and eating disorder‐related impairment. Episode size moderated the association of LOC eating with purging frequency and depressive symptoms, such that in the presence of larger eating episodes, LOC eating was more closely associated with these features. Neither episode size nor its interaction with LOC explained additional variance in BMI, hunger, restraint, shape concerns, state anxiety, negative urgency, or global functioning.

Discussion

Taken together, results support the incremental validity of the size criterion, in addition to and in combination with LOC eating, for defining binge‐eating episodes in purging syndromes. Future research should examine the predictive validity of episode size in both purging and nonpurging eating disorders (e.g., binge eating disorder) to inform nosological schemes. © 2016 Wiley Periodicals, Inc. (Int J Eat Disord 2016; 49:651–662)
The generation of human innate lymphoid cells is influenced by the source of hematopoietic stem cells and by the use of G‐CSF
Authors: Moretta Francesca , Petronelli Francesca , Lucarelli Barbarella , Pitisci Angela , Bertaina Alice , Locatelli Franco , Mingari Maria Cristina , Moretta Lorenzo , Montaldo Elisa
Published: February 2016

NK cells play a central role in the haploidentical HSC transplantation (HSCT) to cure high‐risk leukemias. Other innate lymphoid cells (ILCs) have been proposed to exert a protective role in graft‐versus‐host disease and could also contribute to anti‐microbial defence and to lymphoid tissue remodeling. Thus, we investigated the ILC differentiation potential of HSCs isolated from BM, mobilized peripheral blood (PB), and umbilical cord blood (UCB). BM CD34+ cells are enriched in lymphoid‐committed precursors, while PB CD34+ cells preferentially contain myeloid precursors. In vitro differentiation experiments revealed that the highest and the lowest CD56+CD161+ ILC recovery was detected in UCB and PB HSC cultures, respectively. Among CD56+CD161+ ILCs, the ratio between NK cells and ILC3s was similar for all HSC analyzed. ILC recovery in PB CD34+ cultures was lower for G‐CSF‐mobilized HSCs (good mobilizers) than for G‐CSF+plerixafor‐mobilized HSC (poor mobilizers). Moreover, G‐CSF inhibited in vitro ILC recovery and the degree of inhibition was proportional to the time of exposure to the cytokine. Thus, although all common sources of HSC for transplant differentiate towards ILCs, substantial differences exist among different sources and G‐CSF may influence ILC recovery. These data offer new clues for a better understanding of the immune reconstitution after HSCT.
Enzymatic synthesis of steryl ferulates
Authors: Schär Aline , Nyström Laura
Published: February 2016

Steryl ferulates are plant sterols esterified to ferulic acid, a common phenolic acid. This esterification leads to sterol esters with improved biological properties, such as antioxidant activity. Commercially available and extracted steryl ferulates from rice bran are often limited in their sterol profiles. For further research and later food applications, a simple enzymatic esterification could address the lack of availability of single steryl ferulates. Whereas several enzymatic procedures for the esterification of steryl fatty acid esters have been published, no fully enzymatic procedure for steryl ferulates has been reported so far. We optimized both direct esterification of β‐sitosterol with ferulic acid as well as transesterification with ethyl ferulate yielding steryl ferulates. The reaction was catalyzed by a lipase from Candida rugosa, which lead to yields of 35 and 55% for the direct esterification and transesterification, respectively. Moreover, both reactions followed a similar time course over incubation. The enzyme activity was rather low, which is probably due to the specificity of the different isoenzymes of C. rugosa lipase. However, successful conditions for a fully enzymatic synthesis of steryl ferulates are reported for the first time.

Practical applications: This enzymatic procedure leads to steryl ferulates, which do not need thorough purification, as no toxic catalysts were applied. This is especially an advantage when animal or human studies are conducted, which are needed for further evaluation of the potential health benefits of steryl ferulates. Further, it is less labor intensive than earlier published procedures using vinyl esters as substrates, which have to be synthesized and chromatographically purified.

Steryl ferulates are enzymatically synthesized using two approaches: direct esterification of ferulic acid and transesterification from ethyl ferulate yielding steryl ferulates. The two systems are optimized by surface response methodology and compared. Resulting yields of steryl ferulates after five days of incubations are 35 and 55% for the esterification and transesterification, respectively.
Ultrafast electrokinetics
Authors: Rouhi Youssefi Mehrnaz , Diez Francisco Javier
Published: February 2016

The influence of a high electric field applied on both fluid flow and particle velocities is quantified at large Peclet numbers. The experiments involved simultaneous particle image velocimetry and flow rate measurements. These are conducted in polydimethylsiloxane channels with spherical nonconducting polystyrene particles and DI water as the background flow. The high electric field tests produced up to three orders of magnitude higher electrokinetic velocities than any previous reports. The maximum electroosmotic velocity and electrophoretic velocity measured were 3.55 and 2.3 m/s. Electrophoretic velocities are measured over the range of 100 V/cm < E < 250 000 V/cm. The results are separated according to the different nonlinear theoretical models, including low and high Peclet numbers, and weak and strong concentration polarization. They show good agreement with the models. Such fast velocities could be used for flow separation, mixing, transport, control, and manipulation of suspended particles as well as microthrust generation among other applications.
Crop biotechnology: a pivotal moment for global acceptance
Authors: Hallerman Eric , Grabau Elizabeth
Published: February 2016

The development and judicious use of agricultural biotechnology offers important contributions to food security and sustainability. Key contributions include improved yield, heightened pathogen and herbivore resistance, enhanced nutrient content, improved product quality, reduced spoilage, as well as entirely new traits. While a first wave of genetically engineered (GE) crop products has been commercialized and contributed to yield, other products – some posing significant benefits to target populations in the developing world – have become mired in controversy. Public misconception about nutritional and ecological risks, fears about multinational corporate dominance, as well as regulatory inaction have delayed the approval and use of GE crops. With new GE lines ready to pass through regulatory oversight, many of which originate from developing countries, we regard this as a pivotal moment for global acceptance of agricultural biotechnology. However, we note that some countries, international regulators, and even biotechnology companies seem willing to forego useful applications of GE crops. We conclude that educating and informing the public to combat misperception, and implementing review of regulatory guidelines based on decades of experience can help to realize the benefits of GE for food security, human well‐being, and ecological sustainability.
Development and Scale Up of Enhanced ORR Pt‐based Catalysts for PEMFCs
Authors: van Schalkwyk F. , Pattrick G. , Olivier J. , Conrad O. , Blair S.
Published: February 2016

HySA/Catalysis has developed Pt‐only materials supported on Vulcan and Ketjenblack carbon, at various Pt loadings in the form of the HySA‐V and HySA‐K series of catalysts. These materials have been proven on both an ex‐situ (TF‐RDE techniques) and in situ (single cell MEA testing) basis to be on par with state‐of‐the‐art commercial benchmark materials. Despite these development achievements high‐performance platinum alloy catalysts that address sluggish oxygen reduction reaction (ORR) kinetics are required in order to minimize the precious metal content and ultimately the cost of fuel cell catalysts. Conveyed in this paper is a systematic investigation of the effect of alloying counterpart deposition sequence on the electrochemical and physical properties of the dealloyed class of advance ORR catalysts at a laboratory synthesis scale. Progression from laboratory scale synthesis to pre‐commercial production is presented and in‐situ single cell performance of scaled dealloyed catalyst materials is given.
Carcinogenesis associated with parasites other than Schistosoma, Opisthorchis and Clonorchis: A systematic review
Authors: Machicado Claudia , Marcos Luis A.
Published: February 2016

Only three helminths (Schistosoma haematobium, Opisthorchis viverrini and Clonorchis sinensis) are directly associated with carcinogenesis in humans whereas the role of other parasites in cancer remains unclear. This study aimed to perform a systematic review to identify recent insights in the role of other parasite infections in carcinogenesis. We conducted systematic searches of MEDLINE and EMBASE on July 2015. Our primary outcome was the association between parasitic infections and carcinogenesis. Out of 1,266 studies, 19 were selected for detailed evaluation (eight for helminths and 11 for protozoa). The mechanisms of helminth‐induced cancer included chronic inflammation, sustained proliferation, modulation of the host immune system, reprogramming of glucose metabolism and redox signaling, induction of genomic instability and destabilization of suppressor tumor proteins, stimulation of angiogenesis, resisting cell death, and activation of invasion and metastasis. In addition to the current knowledge, the following parasites were found in cancers or tumors: Echinococcus, Strongyloides, Fasciola, Heterakis, Platynosomum and Trichuris. Additional parasites were found in this systematic review that could potentially be associated with cancers or tumors but further evidence is needed to elaborate a cause‐effect relationship.
Molecular Aberrance in Papillary Thyroid Microcarcinoma Bearing High Aggressiveness: Identifying a “Tibetan Mastiff Dog” From Puppies
Authors: Li Dapeng , Gao Ming , Li Xiaolong , Xing Mingzhao
Published: February 2016

Today the most common differentiated thyroid cancer in many countries is papillary thyroid microcarcinoma (PTMC). Although the majority of PTMCs exhibit an indolent clinical course, a few possess high risk for aggressiveness with tumor invasion, metastasis, and even patient mortality. This imposes significant confusion and often dilemma in the clinical management of PTMC. The present review summarizes the molecular pathogenesis, particularly the major genetic alterations, of PTMC that may have prognostic values in assisting risk stratification of this cancer and identification of the most aggressive cases from the many well‐behaving cases. J. Cell. Biochem. 117: 1491–1496, 2016. © 2016 Wiley Periodicals, Inc.
Cuby: An integrative framework for computational chemistry
Authors: Řezáč Jan
Published: February 2016

Cuby is a computational chemistry framework written in the Ruby programming language. It provides unified access to a wide range of computational methods by interfacing external software and it implements various protocols that operate on their results. Using structured input files, elementary calculations can be combined into complex workflows. For users, Cuby provides a unified and userfriendly way to automate their work, seamlessly integrating calculations carried out in different computational chemistry programs. For example, the QM/MM module allows combining methods across the interfaced programs and the builtin molecular dynamics engine makes it possible to run a simulation on the resulting potential. For programmers, it provides high‐level, object‐oriented environment that allows rapid development and testing of new methods and computational protocols. The Cuby framework is available for download at http://cuby4.molecular.cz. © 2016 Wiley Periodicals, Inc.
Characterization of Digraphic Sequences with Strongly Connected Realizations
Authors: Hong Yanmei , Liu Qinghai , Lai Hong‐Jian
Published: February 2016

Let be a sequence of of nonnegative integers pairs. If a digraph D with satisfies and for each i with , then d is called a degree sequence of D. If D is a strict digraph, then d is called a strict digraphic sequence. Let be the collection of digraphs with degree sequence d. We characterize strict digraphic sequences d
for which there exists a strict strong digraph .
Towards high‐resolution 4D flow MRI in the human aorta using kt‐GRAPPA and B1+ shimming at 7T
Authors: Schmitter Sebastian , Schnell Susanne , Uğurbil Kâmil , Markl Michael , Van de Moortele Pierre‐François
Published: February 2016

Purpose

To evaluate the feasibility of aortic 4D flow magnetic resonance imaging (MRI) at 7T with improved spatial resolution using kt‐GRAPPA acceleration while restricting acquisition time and to address radiofrequency (RF) excitation heterogeneities with B1+ shimming.

Materials and Methods

4D flow MRI data were obtained in the aorta of eight subjects using a 16‐channel transmit/receive coil array at 7T. Flow quantification and acquisition time were compared for a kt‐GRAPPA accelerated (R = 5) and a standard GRAPPA (R = 2) accelerated protocol. The impact of different dynamic B1+ shimming strategies on flow quantification was investigated. Two kt‐GRAPPA accelerated protocols with 1.2 × 1.2 × 1.2 mm3 and 1.8 × 1.8 × 2.4 mm3 spatial resolution were compared.

Results

Using kt‐GRAPPA, we achieved a 4.3‐fold reduction in net acquisition time resulting in scan times of about 10 minutes. No significant effect on flow quantification was observed compared to standard GRAPPA with R = 2. Optimizing the B1+ fields for the aorta impacted significantly (P <  0.05) the flow quantification while specific B1+ settings were required for respiration navigators. The high‐resolution protocol yielded similar flow quantification, but allowed the depiction of branching vessels.

Conclusion

7T in combination with B1+ shimming allows for high‐resolution 4D flow MRI acquisitions in the human aorta, while kt‐GRAPPA limits total scan times without affecting flow quantification. J. Magn. Reson. Imaging 2016;44:486–499.
A matrix‐exponential decomposition‐based time‐domain method for band structure calculation of one‐dimensional periodic structures
Authors: Su Xiao‐Xing , Wang Yue‐Sheng , Zhang Chuanzeng , Yu Yaxin
Published: February 2016

A time‐domain method for calculating the band structure of one‐dimensional periodic structures is proposed. During the time‐stepping of the method, the column vector containing the spatially sampled field data is updated by multiplying with an iteration matrix. The iteration matrix is first obtained by using the matrix‐exponential decomposition technique. Then, the small nonzero elements of the matrix are pruned to improve its sparse structure, so that the efficiency of the matrix–vector multiplication involved in each time‐step is enhanced. The numerical results show that the method is conditionally stable but is much more stable than the conventional finite‐difference time‐domain (FDTD) method. The time‐step with which the method runs stably can be much larger than the Courant–Friedrichs–Lewy (CFL) limit. And moreover, the method is found to be particularly efficient for the band structure calculation of large‐scale structures containing a defect with a very high wave speed, where the conventional FDTD method may generally lose its efficiency severely. For this kind of structures, not only the stability requirement can be significantly relaxed, but also the matrix‐pruning operation can be very effectively performed. In the numerical experiments for large‐scale quasi‐periodic phononic crystal structures containing a defect layer, significantly higher efficiency than the conventional FDTD method can be achieved by the proposed method without an evident accuracy deterioration if the wave speed of the defect layer is relatively high. Copyright © 2016 John Wiley & Sons, Ltd.
Spatial and temporal trends in climatic variables in arid areas of northwest China
Authors: Geng Qingling , Wu Pute , Zhao Xining
Published: February 2016

The trends of major climatic variables at annual and seasonal scales over the past 51 years (1960–2010) in arid areas of northwest (NW) China are investigated using the Mann–Kendall test. From the results it is clear that the majority of the trends (more than 94%) showed significant increasing tendency in three annual temperature indices, including the mean temperature (Tmean), the mean minimum temperature (Tmin) and mean maximum temperature (Tmax). For Tmax, however, the significant increase was mainly the result of more significant increases in autumn. The annual and seasonal precipitation (P) series showed positive as well as negative trends. Stations with negative trends were mainly located in the Loess plateau for all of the investigated spring, autumn and annual time series. The precipitation trends in the winter exhibited consistently positive values, but most of these trends were not significant. The annual and seasonal wind speed (U) decreased significantly at the majority of the stations. More stations showed significant decreasing trends in spring than those in other seasons. The variations in the annual and seasonal relative humidity (Rh) series were relatively stable over the region. Most time series showed non‐significant changes, although both positive and negative trends were detected. The results confirmed a particularly strong recent climate change in arid areas of NW China, especially in terms of temperature and wind speed.
Wave climate projections for Ireland for the end of the 21st century including analysis of EC‐Earth winds over the North Atlantic Ocean
Authors: Gallagher Sarah , Gleeson Emily , Tiron Roxana , McGrath Ray , Dias Frédéric
Published: February 2016

This study aims to quantify the potential impact of global climate change on Ireland's marine resource, which is of significant economic and social importance. Global climate models predict warming of the Earth's atmosphere and oceans, which will consequently affect mean sea levels, the frequency and severity of extreme weather events, winds and ocean waves. Such changes need to be carefully assessed for long‐term marine and coastal planning. We derived future wave climate projections for Ireland using the EC‐Earth global climate model and the WAVEWATCH III wave model, by comparing the future 30‐year period 2070–2099 to 1980–2009 for the RCP4.5 and the RCP8.5 forcing scenarios. This data set is currently the highest resolution wave projection data set available for Ireland. EC‐Earth predicts decreases in means (up to 3%) and extremes (up to 14% for the 95th percentile) of 10 m wind speeds over the North Atlantic Ocean (5–75°N, 0–80°W) by the end of the century. Similarly, the model projections show decreases in the frequency and intensity of wind storms crossing Ireland but these changes are not statistically significant. The WAVEWATCH III model predicts an overall decrease in mean (up to 15%) and extreme (up to 15% for the 95th percentile) annual, boreal winter and summer significant wave heights around Ireland.
Changes in physical and gelling properties of freeze‐dried egg white as a result of temperature and relative humidity
Authors: Katekhong Wattinee , Charoenrein Sanguansri
Published: February 2016

BACKGROUND

The quality of dried egg white with respect to functional properties can be affected by storage conditions. The effect of temperature and relative humidity (RH) on changes in colour and gelling properties in freeze‐dried egg white (FDEW) during storage was investigated.

RESULTS

The glass transition temperature (Tg) of FDEW decreased with increasing % RH. The colour of FDEW stored at 60 °C was darker yellow than those at 40 and 25 °C, particularly at high % RH. RH had no effect on hardness and water‐holding capacity (WHC) of gels made from FDEW stored at 25 °C for 1 week. However, hardness and WHC of gels from FDEW stored at higher temperatures; 40 °C, 48% RH and 60 °C, 11% RH dramatically increased. These results related to the differential scanning calorimeter thermograms which showed a broadening peak with lower enthalpy of protein denaturation. Moreover, the protein's SDS‐PAGE pattern in the samples stored at high temperatures or RH levels showed protein aggregation.

CONCLUSION

Storage of FDEW at high temperature and RH levels induced protein conformation changes. These have contributed to protein aggregation which affected the gelling properties of FDEW. © 2016 Society of Chemical Industry
Characterisation of potato crisp effective porosity using micro‐CT
Authors: Renshaw Ryan C , Robinson John P , Dimitrakis Georgios A , Bows John R , Kingman Samuel W
Published: February 2016

BACKGROUND

The effective porosity is an important quantitative parameter for food products that has a significant effect on taste and quality. It is challenging to quantify the apparent porosity of fried potato crisps as they have a thin irregularly shaped cross section containing oil and water. This study uses a novel micro‐CT technique to determine the solid volume fraction and hence the effective porosity of three types of potato crisps: standard continuously fried crisps, microwaved crisps, and continuously fried ‘kettle’ crisps.

RESULTS

It was found that continuously fried kettle crisps had the lowest effective porosity at 0.54, providing the desired crunchy taste and lower oil contents. Crisps produced using a microwave process designed to mimic the dehydration process of standard continuous fried crisps had an effective porosity of 0.65, which was very similar to the effective porosity of 0.63 for standard continuously fried crisps. The results were supported by the findings of a forced preference consumer test.

CONCLUSION

The effective porosity affects the product taste and is therefore a critical parameter. This study shows that micro‐CT analysis can be used to characterise the change in effective porosity of a thin irregularly shaped food product, caused by a change of cooking procedure. © 2016 Society of Chemical Industry
Effect of interfacial composition and crumbliness on aroma release in soy protein/sugar beet pectin mixed emulsion gels
Authors: Hou Jun‐Jie , Guo Jian , Wang Jin‐Mei , Yang Xiao‐Quan
Published: February 2016

Background

In this study, soy protein isolate/sugar beet pectin (SPI/SBP) emulsion gels were prepared through an enzymatic gelation process. The effects of emulsifier (SBP, SPI or SPI/SBP complex) and emulsification process on the microstructure, texture, breakdown properties and aroma release behavior of resulting emulsion gels were investigated.

Results

Oil emulsification by SBP/SPI complex resulted in a higher amount of emulsifier absorbing on the oil–water interface than by SBP and SPI alone, indicating that a more compact interfacial network was formed. Flocculation of oil droplets was observed and corresponding emulsion gels exhibited lower fracture force and strain when the oil was emulsified by SPI and SBP/SPI complex. Moreover, emulsion gels with small droplets produced a greater quantity of small fragments after mastication. However, microstructure did not have a significant effect on breakdown properties of emulsion gels. Headspace gas chromatography analysis showed that the release rate of ethyl butyrate before and after mastication was significantly lower in emulsion gel with more compact network, but the release of aroma compounds with higher hydrophobicity did not show a significant influence of the microstructure and texture of emulsion gel.

Conclusion

This finding provides a useful application for designing semi‐solid foods with desirable flavor perception. © 2016 Society of Chemical Industry
A porous carbon derived from amino‐functionalized material of Institut Lavoisier as a solid‐phase microextraction fiber coating for the extraction of phthalate esters from tea
Authors: Liang Weiqian , Wang Juntao , Zang Xiaohuan , Wang Chun , Wang Zhi
Published: February 2016

In this work, a porous carbon derived from amino‐functionalized material of Institut Lavoisier (C‐NH2‐MIL‐125) was prepared and coated onto a stainless‐steel wire through sol–gel technique. The coated fiber was used for the solid‐phase microextraction of trace levels of phthalate esters (diallyl phthalate, di‐iso‐butyl ortho‐phthalate, di‐n‐butyl ortho‐phthalate, benzyl‐n‐butyl ortho‐phthalate, and bis(2‐ethylhexy) ortho‐phthalate) from tea beverage samples before gas chromatography with mass spectrometric analysis. Several experimental parameters that could influence the extraction efficiency such as extraction time, extraction temperature, sample pH, sample salinity, stirring rate, desorption temperature and desorption time, were investigated. Under the optimal conditions, the linearity existed in the range of 0.05–30.00 μg/L for green jasmine tea beverage samples, and 0.10–30.00 μg/L for honey jasmine tea beverage samples, with the correlation coefficients (r) ranging from 0.9939 to 0.9981. The limits of detection of the analytes for the method were 2.0–3.0 ng/L for green jasmine tea beverage sample, and 4.0–5.0 ng/L for honey jasmine tea beverage sample, depending on the compounds. The recoveries of the analytes for the spiked samples were in the range of 82.0–106.0%, and the precision, expressed as the relative standard deviations, was less than 11.1%.
Tribo‐electrochemical study of stainless steel surfaces during chemical–mechanical polishing
Authors: Totolin Vladimir , Göcerler Hakan , Rodríguez Ripoll Manel , Jech Martin
Published: February 2016

Chemical–mechanical polishing combines the synergistic effect of chemical etching and mechanical abrasion to achieve surface planarisation. These effects are discussed in this paper based on a tribocorrosion study of stainless steel (SS) immersed in two different acidic polishing slurries containing iron oxide nanoparticles. The effect of slurry chemistry and contact area on depassivation–repassivation phenomena are investigated and discussed. In case of the point‐contact geometry it was found that high friction and wear caused by formation of third body particles in the contact contributed to slow repassivation time of the SS, and wear accelerated corrosion was the dominant mechanism under these conditions. An increase in the contact area caused a removal of oxides from a larger surface area, leading to much slower repassivation rates and the appearance of a tarnish layer on the SS immersed in a slurry with high acid content. Surface chemistry investigations revealed an enrichment of chromium oxide. Copyright © 2016 John Wiley & Sons, Ltd.
pH‐Triggered Charge‐Reversal Polyurethane Micelles for Controlled Release of Doxorubicin
Authors: He Wanying , Zheng Xu , Zhao Qi , Duan Lijie , Lv Qiang , Gao Guang Hui , Yu Shuangjiang
Published: February 2016

A series of pH‐triggered charge‐reversal polyurethane copolymers (PS‐PUs) containing methoxyl‐poly(ethylene glycol) (mPEG), carboxylic acid groups, and piperazine groups is presented in this work. The obtained PS‐PUs copolymers can form into stable micelles at pH 7.4, which response to a narrow pH change (5.5–7.5) and show a tunable pH‐triggered charge‐reversal property. Doxorubicin (DOX) is encapsulated into the PS‐PU micelles as a model drug. The drug release of DOX‐loaded PS‐PU micelles shows an obviously stepped‐up with reducing the pH. Meanwhile, it is found that the charge‐reversal property can improve the cellular uptake behavior and intracellular drug release in both HeLa cells and MCF‐7 cells. Additionally, the time‐dependent cytotoxicity of the DOX‐loaded PS‐PU micelles is confirmed by MTT assay. Attributed to the tunable charge‐reversal property through changing the molar ratio of piperazine/carboxyl, the PS‐PU micelles will be a potential candidate as an intelligent drug delivery system in future studies.

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Thin Films Bearing Conjugated Polymer Nanoparticles Fabricated by Microliter‐Scale Layer‐by‐Layer Deposition
Authors: Jo Hyunjin , Song Seung Keun , Bae Naraechan , Cho Namsung , Yoo Pil J. , Chang Suk Tai , Park Juhyun
Published: February 2016

A conjugated polymer, poly(9,9‐bis(6‐bromohexyl)‐9H‐fluorene‐alt‐1,4‐phenylene), is synthesized, converted to nanoparticles via a nanoprecipitation process, and utilized to fabricate thin films including conjugated polymer nanoparticles. The nanoparticles with surface bromides can be conjugated with an amine‐functionalized dendrimer via a nucleophilic coupling reaction. Thus, when microliter solutions of the particulates are dragged at a constant velocity on substrates alternately in a layer‐by‐layer manner, thin films composed of the nanoparticles and dendrimers can be successfully built up on the substrates. Our results suggest a methodology to control the deposition of thin films bearing conjugated polymer nanoparticles while minimizing processing time and decreasing material consumption.

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In silico Prediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method
Authors: Zhang Chen , Cheng Feixiong , Li Weihua , Liu Guixia , Lee Philip W , Tang Yun
Published: February 2016

Drug‐induced liver injury (DILI) is a leading cause of acute liver failure in the US and less severe liver injury worldwide. It is also one of the major reasons of drug withdrawal from the market. Thus, DILI has become one of the most important concerns of drugs, and should be predicted in very early stage of drug discovery process. In this study, a comprehensive data set containing 1317 diverse compounds was collected from publications. Then, high accuracy classification models were built using five machine learning methods based on MACCS and FP4 fingerprints after evaluating by substructure pattern recognition method. The best model was built using SVM method together with FP4 fingerprint at the IG value threshold of 0.0005. Its overall predictive accuracies were 79.7 % and 64.5 % for the training and test sets, separately, which yielded overall accuracy of 75.0 % for the external validation dataset, consisting of 88 compounds collected from a benchmark DILI database – the Liver Toxicity Knowledge Base. This model could be used for drug‐induced liver toxicity prediction. Moreover, some key substructure patterns correlated with drug‐induced liver toxicity were also identified as structural alerts.
High‐resolution 1H‐MRSI of the brain using short‐TE SPICE
Authors: Ma Chao , Lam Fan , Ning Qiang , Johnson Curtis L. , Liang Zhi‐Pei
Published: February 2016

Purpose

To improve signal‐to‐noise ratio (SNR) for high‐resolution spectroscopic imaging using a subspace‐based technique known as SPectroscopic Imaging by exploiting spatiospectral CorrElation (SPICE).

Methods

The proposed method is based on a union‐of‐subspaces model of MRSI signals, which exploits the partial separability properties of water, lipid, baseline and metabolite signals. Enabled by this model, a special scheme is used for accelerated data acquisition, which includes a double‐echo CSI component used to collect a “training” dataset (for determination of the basis functions) and a short‐TE EPSI component used to collect a sparse “imaging” dataset (for determination of the overall spatiospectral distributions). A set of signal processing algorithms are developed to remove the water and lipid signals and jointly reconstruct the metabolite and baseline signals.

Results

In vivo 1H‐MRSI results show that the proposed method can effectively remove the remaining water and lipid signals from sparse MRSI data acquired at 20 ms TE. Spatiospectral distributions of metabolite signals at 2 mm in‐plane resolution with good SNR were obtained in a 15.5 min scan.

Conclusions

The proposed method can effectively remove nuisance signals and reconstruct high‐resolution spatiospectral functions from sparse data to make short‐TE SPICE possible. The method should prove useful for high‐resolution 1H‐MRSI of the brain. Magn Reson Med 77:467–479, 2017. © 2016 International Society for Magnetic Resonance in Medicine
Deconstructing race and gender differences in adolescent obesity: Oaxaca‐blinder decomposition
Authors: Taber Daniel R. , Robinson Whitney R. , Bleich Sara N. , Wang Y. Claire
Published: February 2016

Objective

To analyze sources of racial and gender disparities in adolescent obesity prevalence in the United States using Oaxaca–Blinder decomposition.

Methods

Data were obtained from the National Youth Physical Activity and Nutrition Study, a 2010 nationally representative study of 9th‐12th grade students. Obesity status was determined from objective height and weight data; weight‐related behaviors and school, home, and environmental data were collected via questionnaire. Oaxaca–Blinder decomposition was used to independently analyze racial and gender obesity prevalence differences (PD), i.e., comparing Black girls to White girls, and Black girls to Black boys.

Results

Overall, measured characteristics accounted for 46.8% of the racial PD but only 11.9% of the gender PD. Racial PD was associated with Black girls having less fruit/vegetable access at home, obtaining lunch at school more often, and playing fewer sports than White girls. Gender PD was associated with differential associations between physical activity (PA) measures—including total activities in the past year and days of moderate to vigorous physical activity (MVPA) in the past week—and obesity.

Conclusions

School lunch and home food environmental variables accounted for racial disparities, but not gender disparities, in obesity prevalence. Gender differences in mechanisms between PA and obesity should be explored further.
Ideals versus reality: Are weight ideals associated with weight change in the population?
Authors: Kärkkäinen Ulla , Mustelin Linda , Raevuori Anu , Kaprio Jaakko , Keski‐Rahkonen Anna
Published: February 2016

Objective

To quantify weight ideals of young adults and to examine whether the discrepancy between actual and ideal weight is associated with 10‐year body mass index (BMI) change in the population.

Methods

This study comprised 4,964 adults from the prospective population‐based FinnTwin16 study. They reported their actual and ideal body weight at age 24 (range 22‐27) and 10 years later (attrition 24.6%). The correlates of discrepancy between actual and ideal body weight and the impact on subsequent BMI change were examined.

Results

The discrepancy between actual and ideal weight at 24 years was on average 3.9 kg (1.4 kg/m2) among women and 1.2 kg (0.4 kg/m2) among men. On average, participants gained weight during follow‐up irrespective of baseline ideal weight: women ¯x = +4.8 kg (1.7 kg/m2, 95% CI 1.6‐1.9 kg/m2), men ¯x = +6.3 kg (2.0 kg/m2, 95% CI 1.8‐2.1 kg/m2). Weight ideals at 24 years were not correlated with 10‐year weight change. At 34 years, just 13.2% of women and 18.9% of men were at or below the weight they had specified as their ideal weight at 24 years. Women and men adjusted their ideal weight upward over time.

Conclusions: Irrespective of ideal weight at baseline, weight gain was nearly universal. Weight ideals were shifted upward over time.
Core‐Substituted Naphthalenediimides: LUMO Levels Revisited, in Comparison with Preylenediimides with Sulfur Redox Switches in the Core
Authors: Miros François N. , Matile Stefan
Published: February 2016

Core‐substituted naphthalenediimides (NDIs) attract increasing attention to bind, transport, and transform electrons, anions, anionic intermediates, and anionic transition states, and to shine as most colorful rainbow fluorophores. The energy level of their lowest unoccupied molecular orbital (LUMO) is decisive for many of these applications. Here, differential pulse voltammetry (DPV) measurements for a consistent series of NDIs are reported to extract exact LUMO levels under identical conditions. The influence of primary and secondary substituents in the core and on the primary imides is compared with general trends for the reliable prediction of LUMO levels in functional systems. Emphasis is on sulfur redox switches in the NDI core because of their frequent use as isostructural probes for π acidity. The same sulfur redox chemistry is expanded to perylenediimides (PDIs), and LUMO engineering is discussed in a broader context, including also fullerenes, aminonaphthalimides (ANIs), and aminoperyleneimides (APIs). The result is a comprehensive reference table that graphically maps out the LUMO space covered by the leading families of electronaccepting aromatics. This graphical summary of general trends in the π‐acidic space is expected to be both inspiring and quite useful in practice.
Indication of Mild Hemolytic Reaction Among Preterm Infants With ABO Incompatibility
Authors: Yogev‐Lifshitz Maya , Leibovitch Leah , Schushan‐Eisen Irit , Taran Camelia , Strauss Tzipora , Maayan‐Metzger Ayala
Published: February 2016

Background

Among term infants, ABO incompatibility is a leading cause of hemolytic disease and neonatal jaundice. With respect to preterm infants, data are lacking.

Objective

To evaluate the incidence and severity of ABO incompatibility hemolytic disease among preterm infants with respect to hemolytic and jaundice parameters.

Design

Clinical and laboratory data were collected retrospectively from the medical records of 118 ABO‐incompatible preterms born at gestational age (GA) 29–34 weeks, as well as 118 controls matched for GA, birth weight, and multiplicity. All infants were born at the Sheba Medical Center Tel‐Hashomer between 2009 and 2012.

Results

The study and control groups were similar on all maternal and neonatal outcome parameters. No differences between the groups were recorded throughout hospitalization regarding hematocrit levels or the need for blood transfusion. Bilirubin levels were higher among the study (ABO‐incompatible) group during the first 10 days of life; however, no significant differences were found regarding the need for phototherapy. Upon evaluating subgroups divided by GA, we found no differences on any hematological and jaundice factors among preterms of 29–31 weeks, whereas among preterms of 32–34 weeks higher positive direct antiglobulin test (DAT) results (7% vs. 0% in the control, P = 0.014) as well as higher bilirubin levels were documented.

Conclusions

Among ABO‐incompatible preterm infants with GA 29–34 weeks, there is no evidence of significant hemolytic reaction derived from placental transfer of antibodies. With increasing GA, antibody transfer becomes more significant, resulting in more positive DAT results and greater incidence of neonatal jaundice.
Manufacturing and characterization of braidtruded fiber reinforced polymer rebar
Authors: Ivey Marcus A. , Carey Jason P. , Ayranci Cagri
Published: February 2016

Fiber reinforced polymer (FRP) rebar can serve as a noncorrosive alternative to conventional steel rebar for use in concrete reinforcement. By combining pultrusion and braiding into a single manufacturing process called braidtrusion, FRP rebar consisting of both unidirectional and off‐axis fibers can be produced. In this study, a variation on the braidtrusion process was introduced, utilizing an impregnation ring and dieless curing system to produce high quality FRP rebar in a continuous manner. The resulting rebar was characterized to assess the quality and consistency of the manufacturing process. Degree of cure, braid angle, cross‐sectional area, and fiber volume fractions were measured, and a general examination of the rebar microstructure was conducted. In addition, analytical equations based on previous works were presented to predict braid angle and cross‐sectional area of the resulting rebar based on manufacturing parameters. The predictions made using these equations were found to be in good agreement with the experimental results, and can be used to facilitate future design and manufacturing of FRP rebar. POLYM. COMPOS., 39:337–350, 2018. © 2016 Society of Plastics Engineers