bluuebunny/crossref_metadata_2025 huggingface dataset:
Self‐degradable curcumin polymer with anti‐cancer activity
Authors: O'Connor N. A. , Einbond L. S. , Redenti S. , Sauane M. , Jitianu A.
Published: August 2018

Curcumin is a widely researched and utilized natural product used for a variety of ailments, including as a gastrointestinal aide and an anticancer agent. Curcumin, however, suffers from poor bioavailability. A strategy to circumvent poor bioavailability is to administer with an adjuvant or by synthetic modification. Herein, we demonstrate the incorporation of curcumin into a self‐degradable polymer by condensation with N,N′‐di‐Boc‐L‐cystine. The polymer is made self‐degradable upon deprotection of the cystine amines. Degradation is confirmed by thermogravimetric analysis and differential scanning calorimetry. Curcumin retains its anti‐cancer activity within the polymer showing activity against HT29 human colon cancer cells and DU‐145 prostate cancer cells. The self‐degrading polymer showed enhanced activity against HT29 cells compared to that of curcumin. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46867
Shape memory polymers for self‐folding via compression of thermoplastic sheets
Authors: Hubbard Amber M. , Davis Duncan S. , Dickey Michael D. , Genzer Jan
Published: August 2018

We report a simple method to strain, and thereby program, shape memory polymers by compressing planar thermoplastic sheets. This work is motivated by the limited number of commercially available prestrained polymer sheets; current examples include: Shrinky Dinks, Eastman's Embrace, and polyurethane shrink films. However, these commercial specimens limit the sample thickness, polymer composition, and amount of stored strain. We show here that melt pressing can strain thermoplastic sheets over a range of thicknesses and polymer chemical compositions. After pressing (and thus, straining), the polymer sheets can self‐fold out‐of‐plane into complex geometries using two different actuation mechanisms, both of which locally release strain stored in the polymer. Three‐dimensional geometries are attained experimentally with both thick (~12 mm) and thin (~1 mm) strained polymer samples with a range of polymer compositions. Digital image correlation maps the strain profile within the melt pressed samples while a Mooney–Rivlin and geometric model predicts the average strain and folding response of the samples, respectively. The model predictions agree well with experimental results. These findings enable self‐folding with a broader design space such as polymer chemical composition, sample thickness, strain within the sample, and external stimulus. Techniques presented here should translate to other thermoplastic polymers, thus making this technique a viable tool to increase the available pool of materials available for self‐folding devices. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46889.
Crystallization, flame‐retardant, and mechanical behaviors of poly(lactic acid)\9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide–calcium montmorillonite nanocomposite
Authors: Jia Lin , Zhang Wenchao , Tong Bin , Yang Rongjie
Published: August 2018

Poly(lactic acid) (PLA) nanocomposite with 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO) intercalated calcium montmorillonite (Ca‐MMT) nanocompound was prepared, and the properties were compared with those of PLA/Ca‐MMT, PLA/DOPO, and PLA/DOPO+Ca‐MMT nanocomposites (where DOPO+Ca‐MMT indicates a physical mixture of DOPO and Ca‐MMT). The structures and properties of the four PLA nanocomposites were investigated by X‐ray diffraction (XRD), transmission electron microscopy (TEM), differential scanning calorimetry, thermogravimetric analysis, limiting oxygen index (LOI) testing, UL‐94 vertical testing, and cone calorimetry measurements. The XRD and TEM tests showed that the DOPO–Ca‐MMT nanocompound existed in both intercalated and exfoliated montmorillonite morphologies in the PLA matrix, a better dispersion state than the Ca‐MMT added alone and DOPO+Ca‐MMT in PLA; this benefited improvements in the crystallinity, thermal stability, and flame retardancy for the PLA/DOPO–Ca‐MMT nanocomposite, as seen in the higher degree of crystallinity, higher LOI values, and lower peak heat‐release rate. A loading of only 5 wt % DOPO–Ca‐MMT increased the LOI value of PLA from 20.0 to 28.3% and made the PLA pass the UL‐94 vertical test V‐0 rating at a 3.2 mm thickness. The nanocomposites based on DOPO–Ca‐MMT could be used as very efficient systems for flame‐retardant PLA. The PLA/DOPO–Ca‐MMT also had better tensile mechanical properties than the pure PLA and PLA/DOPO+Ca‐MMT. The annealing specimens of the four nanocomposites were also characterized to study the relationship between the PLA crystallization and flame retardancy or mechanical properties. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46982.
Recent advance in antibacterial activity of nanoparticles contained polyurethane
Authors: Farrokhi Z. , Ayati A. , Kanvisi M. , Sillanpää M.
Published: August 2018

Polyurethanes (PUs) are among the most widely used polymers with various applications in several industries. Antibacterial activity is an important feature of PU materials used in medical or many other related consumer products. They can, however, be easily colonized by bacteria and fungi, which may cause many problems for human health. It is therefore very important to enhance the antimicrobial properties of PUs, besides improving their chemical and physical properties. The incorporation of some antibacterial materials in the PUs' polymeric matrices is an effective strategy to improve their antibacterial activity. In this regard, the addition of some materials including Ag, Au, ZnO, and TiO2 nanoparticles, carbon nanotubes and chitosan to the PUs' material structure is reviewed in this article, and their antibacterial mechanisms are discussed. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46997.
The Multiplicity of Polypeptide GalNAc‐Transferase: Assays, Inhibitors, and Structures
Authors: Hu Youtian , Feng Juan , Wu Fang
Published: August 2018

Mucin‐type O‐glycosylation is the dominant form of glycosylation in eukaryotes and plays an important role in various physiological processes. The polypeptide GalNAc‐transferase (GalNAc‐T) catalyzes the first step in the attachment of mucin‐type O‐glycosylation. GalNAc‐T was recently uncovered to be linked with cancer, atherogenic dyslipidemia, and X‐linked hypophosphatemic rickets. Therefore, it has attracted increasing interest as a new target for exploring the underlying mechanism and developing new treatments for related diseases. Decades of studies on GalNAc‐T have laid a stable foundation for understanding the catalytic mechanism, determining atom‐resolution three‐dimensional structures, and developing various types of biochemical assays as well as small‐molecule inhibitor leads. Here, we systematically summarize this invaluable knowledge on GalNAc‐T and cultivate new perspectives to foster breakthrough points for mucin‐type O‐glycosylation.
A Unified View of Assessing the Pro‐oxidant versus Antioxidant Nature of Amyloid Beta Conformers
Authors: Mitra Suchitra , Prasad Pallavi , Chakraborty Saumen
Published: August 2018

Transition‐metal‐catalyzed oxidative stress is a widespread concern in the pathogenesis of Alzheimer's disease. However, the exact role of amyloid beta oligomers towards oxidative stress is widely debated. Assessing the oxidative nature of the oligomers in vitro is complicated by the different experimental conditions under which they are prepared. We have investigated Cu2+‐catalyzed reactive oxygen species (ROS) generation by using oligomers prepared in phosphate‐buffered saline (AβO‐PBS) and in cell culture medium (AβO‐CCM), and compared their activities with respect to the monomers and fibrils prepared at neutral and acidic pH. Although both are deca‐ to dodecamers, the AβO‐PBSoligomers have a spherical morphology and are smaller than the AβO‐CCM. The AβO‐PBSbehaved as pro‐oxidants; in contrast, AβO‐CCMquench OH.generation attributed to CCM itself. Although the pro‐oxidant oligomers showed oxidation, they also partially protect themselves from radical damage and maintain their overall spherical arrangement. The monomers and fibrils manifested antioxidant properties: radical scavenging as opposed to redox silencing. A dual role of Aβ species depending on the stage of the disease is proposed. In the earlier stages, the monomers can act as antioxidants, whereas at the later stages, the oligomers take on a pro‐oxidant role. Kaempferol, a natural flavonoid, bound Cu2+in 2:1 ratio and abolished ROS production in all Aβ species. It also distinctly modified the folding landscape of Aβ species into new or altered morphologies.
Refined SMD Parameters for Bromine and Iodine Accurately Model Halogen‐Bonding Interactions in Solution
Authors: Engelage Elric , Schulz Nils , Heinen Flemming , Huber Stefan M. , Truhlar Donald G. , Cramer Christopher J.
Published: August 2018

Motivated by the need to calculate liquid‐phase free energies of species and equilibria involving halogen bonding, recent experimental data were used to optimize new Coulomb radii for Br and I for use in the SMD universal solvation model for calculating free energies of solvation. The use of the SMD model with these parameters for Br and I and the SMD values of all other parameters is called SMD18. After parametrization, the SMD18 model was tested for data not used in the parametrization. These data are standard‐state free energies (equivalent to equilibrium constants) for 18 ionic equilibria involving Cl, Br, and I halogen bonding in acetonitrile, and the agreement of theory and experiment is satisfactory. The SMD18 model is then used to compare hydrogen bonding to halogen bonding and to reassess the interpretation of recent experiments.
School meanings related content knowledge for german university teacher – conception and evaluation of tasks in the seminar “Organic Experimentalchemistry I”
Authors: Hermanns Jolanda
Published: August 2018

Die Entwicklung von Aufgaben zum „Erweiterten Fachwissen für den schulischen Kontext“ für Lehramtsstudierende wird vorgestellt. Die Kriterien für die Erstellung der Aufgaben werden an Beispielaufgaben erläutert. Der Einsatz der Aufgaben in den Übungen zur Vorlesung „Organische Experimentalchemie I“ wird evaluiert und diskutiert.
A novel enhanced bat optimization based energy efficiency and imperfect channel state information in cooperative MIMO‐AF systems
Authors: Kanithan S. , Tamilselvan G.M.
Published: August 2018

Energy Efficiency (EE) is a vital design standard for the future generation of communication systems. Similarly, cooperative communication is extremely efficient for improving the performance of such systems. Current research presents a relay precoding optimization algorithm in order to resolve EE problem in the Multiple‐Input‐Multiple‐Output (MIMO) Amplify‐And‐Forward (AF) Relay Networks containing correct Channel State Information (CSI) only. With the intension of focus on imperfect, this work presents a novel design of MIMO AF Relay Networks under Imperfect CSI (ICSI) by taking Channel Estimation (CE) errors and feedback delay errors, deprived of taking the straight link from source to destination. For this reason, we present a Hidden Semi Markov Model (HSMM) under ICSI, in which the source and destination based relay links are identified through destination. After that, we implement an Enhanced Bat Optimization (EBO) algorithm to enhance the EE of MIMO relay‐based non‐regenerative cooperative communication systems by means of improving the source and relay precoders by taking relay and direct links into consideration. Simulation outcomes prove that the EE‐ EBO optimization is capable of enhancing the outcomes of MIMO‐AF systems while matched up with direct/relay link with EE precoding optimization and precoding optimization algorithms.
Optimal feature level fusion based ANFIS classifier for brain MRI image classification
Authors: K Shankar , Elhoseny Mohamed , S K Lakshmanaprabu , M Ilayaraja , RM Vidhyavathi , A. Elsoud Mohamed , Alkhambashi Majid
Published: August 2018

The cases identified with Brain tumor have increased with respect to time owing to various reasons. One of the major challenging issues can be defined by incorporating image processing along with data mining models as classification approach. There are various procedures as of now exhibited for segmentation of brain tumor effectively. In any case, it is as yet unequivocal to distinguish the brain tumor from MR images. In this new tumor classifying, considering two significant models, such as Feature Selection (FS) and Machine Learning classification techniques, are extremely valuable for distinguishing and visualizing the tumor in the MRI brain images; it is classified using Adaptive Neuro‐Fuzzy Interface System (ANFIS). For better classification of image, Optimal Feature Level Fusion (OFLF) is considered to fuse low and high‐level feature of brain image; from this analysis, the images are classifying as Benign or Malignant. From this implementation of medical images, the experiment results are evaluating performance metrics are compared existing classifiers. From the proposed MRI image classification process the accuracy as 96.23%, sensitivity as 92.3%, and specificity as 94.52%, compared to existing classifier. It is in the working platform of MATLAB that this proposed methodology is implemented.
Implementation of a non‐linear solver on heterogeneous architectures
Authors: Carracciuolo Luisa , Lapegna Marco
Published: August 2018

Heterogeneous architectures seem to be not only the present but also the future of the HPC world (eg, see the Exascale Project of U.S. Department of Energy or the European Horizon 2020 FET Proactive ‐ High Performance Computing Call). A lot of work has been done in developing software libraries useful to solve problem described by linear equations on such computing systems. Instead, not the same effort is spent in such context for the implementation of software modules to be used to solve non‐linear problem. In this work, we present some experiences related with the implementation of a Quasi‐Newton method able to exploit, using a combination of “Task Scheduling,” “matrix‐free,” and “look‐ahead” approaches, both the CPUs and the GP‐GPUs components of a heterogeneous system.
Extracting and classifying typhoon disaster information based on volunteered geographic information from Chinese Sina microblog
Authors: Zhao Qiansheng , Chen Zi , Liu Chang , Luo Nianxue
Published: August 2018

The notion and application of volunteered geographic information occur and rise rapidly in recent years with the thriving of social media in China such as Sina Microblog, which is one of the most active social network sites. Many researches on natural disasters like flood, earthquake, and forest fires leverage social media like Twitter, Flickr, or YouTube, but few studies focus on typhoon disaster based on Sina Microblog even though typhoon disaster batters southeast coastline of China every year. This study proposed a method to extract and classify typhoon disaster information from Sina Microblog. KNN (k‐nearest neighbors) algorithm is implemented for microblog classification in order to extract useful information about the real hazards, and an experiment is conducted to tune the parameters in KNN by comparison of outcomes of social media data analysis and the real typhoon situation. The result shows that more than 70% microblogs are classified correctly. After the classification, we carried out spatial temporal analysis to map the disaster situation. It shows that the spatial distribution of microblog message mean centers about typhoon has regular variation along with the typhoon path. It can be confidently concluded that Sina Microblog has some potential prospects for estimating the typhoon disaster situation.
Biomimetic walking mechanisms: Kinematic parameters of goats walking on different slopes
Authors: Zhang Fu , Wang Yafei , Zheng Limin , Ma Tianle , Wang Jiajia
Published: August 2018

In order to study bionic walking machinery, the uphill walking processes on different slopes (0°, 10°, 20°, and 30°) were recorded by a high speed video system (VRI Phantom M110). The kinematics parameters of goat slope are analyzed using PCC and ORIGIN software. Goat's average speed decreases with the increase in gradient. The average speed of goats on the 0° slope, 10° slope, 20° slope, and 30° slope are 1.72 m/s, 1.352 m/s, 0.742 m/s, and 0.609 m/s. In the Y axis direction, the variation ranges from 0.1 m to 0.37 m. The left hind legs are basically the same as the feet of the right hind legs. In the Y axis direction, the variation ranges from 0.1 m to 0.195 m. The length of the change in the X axis is greater than the posterior foot. The range of hip joint angle changes is from 46.10 to 135.50. The knee joint angle changes is from 87.90 to 179.80. The hip joint angle of hind leg changes from 115.30 to 1700. The knee joint angle of hind leg changes from 80.50 to 172.80. The present research can provide theoretical basis for the design of a biomimetic agricultural walking mechanism.
Component technology development of thermal absolute humidity sensor for high humidity and condensation environments
Authors: Toshima Katsuhisa
Published: August 2018

The author presents a thermal conductivity absolute humidity sensor whose substrate and its channel can be heated. Water droplets getting into the channel due to condensation can be removed by the substrate heater and the bridge heater setting in the channel. Thus this sensor is expected to be applied in condensation environment, such as a humidity sensor for medical ventilator. The output voltage from the prototype platinum hot wire sensor is stably obtained by using the pulse current waveform from the programmable current source under the conditions of 100%RH and 33℃.
Age‐specific genome‐wide association study in glioblastoma identifies increased proportion of ‘lower grade glioma’‐like features associated with younger age
Authors: Ostrom Quinn T. , Kinnersley Ben , Armstrong Georgina , Rice Terri , Chen Yanwen , Wiencke John K. , McCoy Lucie S. , Hansen Helen M. , Amos Christopher I. , Bernstein Jonine L. , Claus Elizabeth B. , Eckel‐Passow Jeanette E. , Il'yasova Dora , Johansen Christoffer , Lachance Daniel H. , Lai Rose K. , Merrell Ryan T. , Olson Sara H. , Sadetzki Siegal , Schildkraut Joellen M. , Shete Sanjay , Rubin Joshua B. , Andersson Ulrika , Rajaraman Preetha , Chanock Stephen J. , Linet Martha S. , Wang Zhaoming , Yeager Meredith ,   on behalf of the GliomaScan consortium, Houlston Richard S. , Jenkins Robert B. , Wrensch Margaret R. , Melin Beatrice , Bondy Melissa L. , Barnholtz‐Sloan Jill. S.
Published: August 2018

Glioblastoma (GBM) is the most common malignant brain tumor in the United States. Incidence of GBM increases with age, and younger age‐at‐diagnosis is significantly associated with improved prognosis. While the relationship between candidate GBM risk SNPs and age‐at‐diagnosis has been explored, genome‐wide association studies (GWAS) have not previously been stratified by age. Potential age‐specific genetic effects were assessed in autosomal SNPs for GBM patients using data from four previous GWAS. Using age distribution tertiles (18–53, 54–64, 65+) datasets were analyzed using age‐stratified logistic regression to generate p values, odds ratios (OR), and 95% confidence intervals (95%CI), and then combined using meta‐analysis. There were 4,512 total GBM cases, and 10,582 controls used for analysis. Significant associations were detected at two previously identified SNPs in 7p11.2 (rs723527 [p54–63 = 1.50x10−9, OR54–63 = 1.28, 95%CI54–63 = 1.18–1.39; p64+ = 2.14x10−11, OR64+ = 1.32, 95%CI64+ = 1.21–1.43] and rs11979158 [p54–63 = 6.13x10−8, OR54–63 = 1.35, 95%CI54–63 = 1.21–1.50; p64+ = 2.18x10−10, OR64+ = 1.42, 95%CI64+ = 1.27–1.58]) but only in persons >54. There was also a significant association at the previously identified lower grade glioma (LGG) risk locus at 8q24.21 (rs55705857) in persons ages 18–53 (p18–53 = 9.30 × 10−11, OR18–53 = 1.76, 95%CI18–53 = 1.49–2.10). Within The Cancer Genome Atlas (TCGA) there was higher prevalence of ‘LGG’‐like tumor characteristics in GBM samples in those 18–53, with IDH1/2 mutation frequency of 15%, as compared to 2.1% [54–63] and 0.8% [64+] (p = 0.0005). Age‐specific differences in cancer susceptibility can provide important clues to etiology. The association of a SNP known to confer risk for IDH1/2 mutant glioma and higher prevalence of IDH1/2 mutation within younger individuals 18–53 suggests that more younger individuals may present initially with ‘secondary glioblastoma.’
Accounting for missing data in monthly temperature series: Testing rule‐of‐thumb omission of months with missing values
Authors: Anderson Conor I. , Gough William A.
Published: August 2018

The “3/5 rule” is a commonly used rule‐of‐thumb for dealing with missing data when calculating monthly climate normals. The rule states that any month that is missing more than three consecutive daily values, or more than five daily values in total, should not be included in calculated monthly climate normals. We quantify the impact of missing data in a given year–month for between 1 and 25 missing values. As such, we describe the error the “3/5 rule” (and a related rule that we have dubbed the “4/10 rule”) permits. We tested the statistical robustness of these rules using observed temperature data from a temperate station and a tropical station. We show that, for observed data, the “3/5 rule” permits an average of between 0.06 and 0.07 standard deviations of error in the calculated monthly mean (ɛ) when three consecutive or five random values are missing. For its part, the “4/10 rule” permits a maximumɛof between 0.07 and 0.09 when four consecutive values are missing, or up to 0.10 when 10 random values are missing. The proportional impact of missing values was similar across variables. We performed a correlation analysis and show that each additional missing value from a year–month of data increasesɛby between 0.008 and 0.018 for up to 19 missing values. There is a significant relationship between the lag‐1 autocorrelation of a year–month, andɛ. ɛcan be reduced by simple linear interpolation when values are missing at random and the year–month exhibits lag‐1 autocorrelation. Overall, we find that the application of any “rule‐of‐thumb” should be based on the particular characteristics of the source data and the goals of the research project.
Migration studies of butylated hydroxytoluene, tributyl acetylcitrate and dibutyl phthalate into food simulants
Authors: García Ibarra Verónica , Sendón Raquel , García‐Fonte Xoan‐Xosé , Paseiro Losada Perfecto , Rodríguez Bernaldo de Quirós Ana
Published: August 2018

BACKGROUND

Migration is a mass transfer process in which chemical substances with a low molecular weight are transferred from packaging into food. This phenomenon has received great attention from a food safety point of view because these chemicals could potentially represent a risk for consumers' health.

The present study investigated the process of migration of two common plasticizers [tributyl acetylcitrate (ATBC) and dibutyl phthalate (DBP)] and one antioxidant [butylated hydroxytoluene (BHT)] from a common plastic material used in food packaging (low density polyethylene) into 50% ethanol (v/v), 95% ethanol (v/v) and isooctane. A mathematical model based on Fick's second law was used to determine the partition and diffusion coefficients. In addition, the effect of temperature on the diffusion was studied by applying the Arrhenius equation.

RESULTS

High‐performance liquid chromatography with diode‐array detection and gas chromatography‐mass spectrometry methods were applied to measure the amount of ATBC, DBP and BHT that migrated into the food simulants. A mathematical model based on Fick's second law of diffusion was used to estimate key migration parameters: diffusion and partition coefficients (DP and KP/F), which were determined for each migrant and food simulant at three temperatures (10, 20 and 40 °C). The results showed that the diffusion process is significantly influenced by temperature, although the type of simulant also plays an important role in the migration process.

CONCLUSION

The model investigated is shown to be appropriate for predicting the migration from food packaging into real foodstuffs at common storage temperatures. © 2018 Society of Chemical Industry
Changes in the relationship between zooplankton and phytoplankton biomasses across a eutrophication gradient
Authors: Yuan Lester L. , Pollard Amina I.
Published: August 2018

The relationship between zooplankton biomass and phytoplankton biomass can provide insight into the structure and function of lake biological communities. We used a Bayesian network model to analyze a continental‐scale data set to estimate changes in the relationship between zooplankton (Z) and phytoplankton (P) biomasses along a eutrophication gradient. The Bayesian network model allowed us to combine two different measurements of phytoplankton biomass (chlorophyll a concentration and directly observed biovolume) to improve the precision of estimates of true biomass within each sample. The model also allowed us to estimate separate relationships between P and zooplankton abundance and between P and mean individual zooplankton biomass and then to combine these two relationships into an estimate of seasonal mean zooplankton biomass. The resulting analysis indicated that seasonal mean zooplankton biomass increased proportionally with phytoplankton biomass in oligotrophic lakes, yielding a constant ratio between Z and P and suggested that bottom‐up forces determined zooplankton biomass in these systems. In eutrophic lakes, seasonal mean zooplankton biomass was nearly constant with increases in phytoplankton biomass, yielding a decrease in the ratio between Z and P with increasing eutrophication. Bottom‐up forces, as quantified by an increase in the proportion of cyanobacteria, accounted for approximately one fifth of the residual variance in the model as the relationship between Z and P changed from direct proportionality in oligotrophic lakes to the nearly constant value of Z observed in eutrophic lakes, suggesting that a combination of both top‐down and bottom‐up forces likely determined zooplankton biomass in eutrophic lakes.
Inverse optimization of low‐cost kilovoltage x‐ray arc therapy plans
Authors: Breitkreutz Dylan Y. , Renaud Marc‐André , Seuntjens Jan , Weil Michael D. , Zavgorodni Sergei , Bazalova‐Carter Magdalena
Published: August 2018

Purpose

The objective of this work was to investigate the benefits of using inverse optimization treatment planning for kilovoltage arc therapy (KVAT) and to assess the dosimetric limitations of KVAT.

Methods

Monte Carlo (MC) calculated, inversely optimized KVAT plans of spherical, idealized breast, lung, and prostate lesions were calculated using the EGSnrc/BEAMnrc and DOSXYZnrc MC codes. The dose delivered with the KVAT system, which generates 200–225 kV photon beamlets, was calculated and inversely optimized using an optimization framework developed at McGill University. KVAT dose distributions were compared with inversely optimized and MC generated megavoltage (MV) volumetric modulated arc therapy (VMAT) plans as a reference. Prescription doses delivered to 95% of the planning target volume (PTV) were 38.5 (10 fractions), 60 (30 fractions) and 73.8 (41 fractions) Gy for the breast, lung and prostate patients, respectively. Dose distributions, dose volume histograms, and PTV homogeneity indices were used to evaluate KVAT and VMAT plans based on RTOG protocols.

Results

All organ‐at‐risk (OAR) doses were within prescribed dose limits for KVAT and VMAT plans. Generally, KVAT plans delivered higher doses to OARs. For example, due to the lower energy of KVAT, 50% of the rib volume received 12.9 Gy from KVAT while only receiving 2.5 Gy from VMAT. OAR doses were especially high for the KVAT prostate plan due to the presence of large volumes of bony anatomy, which illustrates a limitation of the KVAT system. The KVAT treatment times per fraction for the breast, lung and prostate patients were 2.8, 2.6 and 5.5 min, respectively.

Conclusions

The inversely optimized KVAT plans presented in this work have demonstrated the ability of our novel low‐cost, kilovoltage x‐ray therapy system to safely treat deep‐seated spherical lesions in breast and lung patients while meeting RTOG dose constraints on OARs.
Late effects in high‐risk neuroblastoma survivors treated with high‐dose chemotherapy and stem cell rescue
Authors: Elzembely Mahmoud M. , Dahlberg Ann E. , Pinto Navin , Leger Kasey J. , Chow Eric J. , Park Julie R. , Carpenter Paul A. , Baker K. Scott
Published: August 2018

Background

Current treatment strategies have improved the outcome of high‐risk neuroblastoma (HRNB) at the cost of increasing acute and late effects of treatment. Although high‐dose chemotherapy with stem cell rescue (HDC‐SCR) has replaced total body irradiation (TBI) based HRNB therapy, late effects of therapy remain a significant concern.

Objectives

To describe late effects prevalence, severity, and risks after HDC‐SCR.

Methods

Retrospective chart review of relapse‐free HRNB survivors ≥1 year after single HDC‐SCR between 2000 and 2015 at Fred Hutchinson Cancer Research Center.

Results

Sixty‐one survivors (30 males) were eligible. Median age (years) at SCR was 3.5 years (range 0.7‐27 years) and median posttransplant follow‐up was 5.4 years (1.2‐16.3 years) . Fifty‐three (86.9%) survivors developed late effects that increased over time (P < 0.001) and varied in severity from grade 1 (35) to grade 5 (1). These were unrelated to gender or age. High‐frequency hearing loss seen in 82% of survivors was the most common abnormality present and 43% of those required hearing aids. Seventeen (27.9%) survivors developed dental late effects and these were most common in children <2 years of age at transplant (P = 0.008). Other toxicities included endocrine (18%), orthopedic (14.8 %), renal (3.9%), melanotic nevi (8.2%), neuropsychological impairments (8.2%), subsequent malignancies (4.9%), pulmonary (4.9%), cardiac (4.9%), and focal nodular liver hyperplasia (3.3%). At 9 years posttransplant, the median height and weight Z‐scores were significantly lower than Z‐scores at the time of HDC‐SCR (–0.01/–1.08, P < 0.001; –0.14/–0.78, P = 0.005).

Conclusion

Avoidance of TBI does not mitigate the need to provide diligent, ongoing surveillance for late effects.
Red blood cell transfusion therapy for sickle cell patients with frequent painful events
Authors: Hilliard Lee M. , Kulkarni Varsha , Sen Bisakha , Caldwell Cathy , Bemrich‐Stolz Christina , Howard Thomas H. , Brandow Amanda , Waite Emily , Lebensburger Jeffrey D.
Published: August 2018

Background

Recurrent pain events or chronic pain are among the most common complications of sickle cell disease. Despite attempts to maximize adherence to and dosing of hydroxyurea, some patients continue to suffer from pain. Our institution developed a program to initiate chronic red blood cell transfusions for one year in patients clinically deemed to have high healthcare utilization from sickle cell pain, despite being prescribed hydroxyurea.

Procedure

An institutional review board approved retrospective study to evaluate the health outcomes associated with a one‐year red blood cell transfusion protocol in sickle cell patients experiencing recurrent pain events as compared with the health outcomes for these patients in the one year prior to receiving transfusion therapy. We performed a matched‐pair analysis using a Wilcoxon signed rank to determine the impact of transfusion therapy on clinic visits, emergency department visits, hospital admissions, hospitalization days, and opioid prescriptions filled.

Results

One year of transfusion therapy significantly reduced the number of total emergency department visits for pain (6 vs 2.5 pain visits/year, P = 0.005), mean hospitalizations for pain (3.4 vs 0.9 pain admissions/year), and mean hospital days per year for pain crisis (23.5 vs 4.5, P = 0.0001), as compared with the one year prior to transfusion therapy. We identified no significant difference in opioid prescriptions filled during the year of transfusion therapy.

Conclusion

Patients with frequent pain episodes may benefit from one year of transfusion therapy.
Initiator‐free photopolymerization of common acrylate monomers with 254 nm light
Authors: Furutani Masahiro , Ide Takashi , Kinoshita Shinobu , Horiguchi Raita , Mori Ichiro , Sakai Kazuhiro , Arimitsu Koji
Published: August 2018

Using an available light source at a wavelength of 254 nm, common acrylate monomers were polymerized without any photoinitiators, which was confirmed using Fourier transform IR (FTIR) spectroscopy, 1H NMR, gel permeation chromatography and fast atom bombardment mass spectrometric measurements. It was found that phenyl acrylate shows higher conversion than n‐ and t‐butyl acrylates. A trifunctional acrylate was also used for UV curing. The cured films were fabricated successfully on different kinds of substrates by using a batch‐ or conveyor‐type irradiation apparatus. It is indicated from FTIR spectral measurements that ca 40%–50% of acryloyl groups are consumed by the photopolymerization. Oxygen concentration in the sample chamber influences the photopolymerization, indicating that the polymerization proceeds via a radical process. © 2018 Society of Chemical Industry
A modified phase‐based constitutive model for shape memory polymers
Authors: Pan Zhouzhou , Zhou Yu , Zhang Ni , Liu Zishun
Published: August 2018

Constitutive models used for predicting the thermomechanical behavior of shape memory polymers (SMPs) are critical for the development of SMP applications. Among the existing models, the phase transition concept attracts wide attention due to its good predictive capacity and great convenience. However, most of the present phase transition models for SMPs have limitations or deficiencies in considering the effect of temperature change rate on the thermomechanical behavior of SMPs. In this paper, based on the kinetics of phase transitions, we propose a constitutive model in which the temperature change rate is incorporated into the phase evolution function to consider the effect of the temperature change rate on the thermomechanical properties of SMPs. Then experimental data under different recovery conditions for two different types of SMP materials are used to validate the predictive capacity and versatility of the present model. The predicted results agree quite well with the experimental observations, which demonstrates that the present model is robust enough to predict the complex thermomechanical behavior for different SMPs. In addition, through experiments and model predictions, we find that the shape free recovery curves at different heating rates can be easily predicted by just moving a reference recovery curve along the horizontal direction by a distance whose value is calculated through the proposed equation. © 2018 Society of Chemical Industry
The impact of the EU neonicotinoid seed‐dressing ban on oilseed rape production in England
Authors: Scott Charles , Bilsborrow Paul E
Published: August 2018

BACKGROUND

Neonicotinoid seed dressings on oilseed rape were banned in the European Union (EU) from December 2013. A survey of > 200 farms was conducted in England in the 2014/15 and 2015/16 seasons to assess the impact of the ban on changes in crop area, crop losses to cabbage stem flea beetle (CSFB), insecticide use and the economics of oilseed rape production.

RESULTS

The area of oilseed rape grown fell in both seasons, with CSFB identified as the third most important reason for the decrease. Crop losses to CSFB were 3% and 5% in the respective seasons, with clear variation by county. There were clear differences in the crop area treated (1.14 vs 0.77 million ha) and the number of insecticide applications per crop (2.0 vs 1.4) to combat CSFB in 2014/15 and 2015/16, respectively. Within the derogation area counties there was a clear reduction in the number of applications per crop when neonicotinoid‐treated vs non‐treated seed was used (1.0 vs 1.9), respectively.

CONCLUSION

Increasing resistance to pyrethroid insecticides in combination with the neonicotinoid seed dressing ban is likely to have significant impacts on the viability of growing oilseed rape in England particularly where CSFB activity/risk is high. © 2018 Society of Chemical Industry
Ion mobility mass spectrometry with molecular modelling to reveal bioactive isomer conformations and underlying relationship with isomerization
Authors: Ouyang Hui , Bo Tao , Zhang Zhengxiang , Guo Xinqiu , He Mingzhen , Li Junmao , Yang Shilin , Ma Xin , Feng Yulin
Published: August 2018

Rationale

In medicine and drug development, molecular modelling is an important tool. It is attractive to develop a platform connecting the theoretical structural modelling and the results from experimental measurement. In addition, the separation and structural analysis of bioactive constituent isomers are still challenging tasks.

Methods

Drift tube ion mobility (IM) mass spectrometry (MS) provides the experimental collision cross section (CCS) which contains the structural information. The experimental CCS can be compared with the calculated CCS of the molecular modelling structures. This technique is especially useful for bioactive constituents in herbal medicine because active isomers with the same chemical formula are common in these samples. IM helps separate and identify these isomers and reveals details about their structures and conformations.

Results

Two model bioactive constituents, caffeoylquinic acids (CQAs) and dicaffeoylquinic acids (di‐CQAs), were selected to systematically investigate the influence of solution, ion source conditions and ion heating on the isomer CCS distributions. By comparing the calculated CCS with the experimental value, we identified the favorable conformations of CQAs. The most compact conformation of a CQA was less likely to isomerize than the more extended conformation. It was found that the isomerization tendency was in accord with the conformation favorability.

Conclusions

This study offers an effective approach to predict and demystify the conformation and isomerization of the active constituents in herbal medicines.
Characteristics of Metal Cation Carbonation and Carbon Dioxide Utilization Using Seawater‐Based Industrial Wastewater
Authors: Yoo Yunsung , Kang Dongwoo , Kim Injun , Park Jinwon
Published: August 2018

In this study, carbon capture and utilization (CCU) technology was used to capture CO2 in simulated industrial flue gas using industrial wastewater from a refined‐salt production plant. Also, captured CO2 was converted to metal carbonate salt which has a potential to be used as valuable product in another industry. In order to increase the purity of the products, the target ions were first separated from the industrial wastewater using pH control. And, three amine‐type absorbents were used to transport CO2 to the metal ions for carbonation reaction. However, for that which cannot make precipitated salt with ionic CO2 species, direct carbonation method was applied. X‐Ray Diffraction, Field‐Emission Scanning Electron Microscopy, and Thermogravimetry/Derivative Thermogravimetry were used to investigate properties of the products. Mg and Ca product were comprised of nesquehonite‐ (purity: 95.150%) and calcite‐dominant (purity: 96.51%) mixtures, respectively. Under the experimental conditions, the number of mole of CO2 converted to valuable material in the total process was 0.9546 mol per 500 ml industrial wastewater.
Role of Charge‐Transfer State in Perylene‐Based Organic Solar Cells
Authors: Shivanna Ravichandran , Rajaram Sridhar , Narayan K. S.
Published: August 2018

A Charge‐transfer (CT) states in bulk heterojunction (BHJ) solar cells play a decisive role in determining the characteristics and performance of the devices. The photophysical processes of CT states are closely investigated in a perylene based BHJ and a fullerene‐based BHJ. Comparison of the band‐tail photocurrent, PL/EL and morphology reveal the role of molecular structure‐property correlation on charge generation processes. The inference drawn from these results points to decreased early recombination losses at the polymer‐perylene interface and possibility of realizing higher efficiencies in such non‐fullerene systems compared to PC71BM based systems.
Synthesis of Core‐Shell Structured MnO2 Petal Nanosheet@Carbon Sphere Composites and Their Application as Supercapacitor Electrodes
Authors: Chen Xiao‐Ping , Wen Jie , Zhao Chun‐Xia , Li Yun‐Tao , Wang Ning
Published: August 2018

A novel MnO2 petal nanosheet@carbon sphere core‐shell structure was successfully fabricated by adjusting the quantity of the KMnO4 precursor employed during the in situ growth of MnO2 on the surface of carbon spheres via a facile hydrothermal method. In the presence of low KMnO4 contents, only MnOOH was generated. In contrast, upon increasing the quantity of KMnO4, δ‐MnO2 nanorods and petal nanosheets were obtained, thereby allowing the formation of the core‐shell structured δ‐MnO2 petal nanosheet@carbon sphere composites. However, beyond a certain point, further increases in the KMnO4 content were unfavorable. Although, prepared MnO2/carbon sphere composites of different morphologies can be used for supercapacitors (SCs) electrode materials, we found that the core‐shell structured MnO2 petal nanosheet@carbon sphere composites exhibited the optimal capacitance performances in all the composites. These composites exhibited an excellent specific capacitance of 231 F⋅g−1 under a current density of 0.5 A⋅g−1. Furthermore, they also demonstrated an impressive cycling stability. Indeed, after 1,000 cycles at 10 A⋅g−1, the MnO2 petal nanosheet@carbon spheres exhibited 96% of their initial capacitance in a 1 M Na2SO4 aqueous electrolyte. The synergistic effect between δ‐MnO2 and the porous carbon spheres in the unique core‐shell structured is responsible for the excellent cycle life.
Nanobubbles from Ethanol‐Water Mixtures: Generation and Solute Effects via Solvent Replacement Method
Authors: Millare Jeremiah C. , Basilia Blessie A.
Published: August 2018

Replacement of ethanol‐water solutions (70 – 100% v/v) with deionized water was performed in a flow cell of a particle size analyzer. The resulting alcohol solutions were found to contain bulk nanoscale bubbles due to air supersaturation as can be induced by the difference in gas solubility of the solvents. The effect of charged and polar solutes (salt and sugar) that may influence the formation and surface chemistry of nanobubbles was also determined. Dispersion characteristics such as hydrodynamic diameter, particle concentration, along with the particle‘s electrokinetic property were measured all at once using light scattering techniques after solution replacement with and without the solute species. Light scattering results showed that the resulting solutions upon exchange have higher particle quantities than the starting ethanol‐water solvents with smaller diameters ranging from 80 to 160 nm due to nanobubble formation. The claim for air supersaturation forming nanobubbles that may have resulted to the increase in particle density can also be deduced from the obtained optical images in a microscope. The electrokinetic potential or zeta potential was also higher for the solvent exchange protocols entailing for a selective orientation of ethanol molecules in a bubble surface. More importantly, In terms of solute effects, it appears that while salt anions promote gaseous diffusion, sugar molecules inhibit it.
pH‐Switchable Water‐Soluble Boron Nitride Nanotubes
Authors: Guan Jingwen , Kim Keun Su , Jakubinek Michael B. , Simard Benoit
Published: August 2018

The first example of aqueous solutions of boron nitride nanotubes (BNNTs) with switchable stability and without use of surfactants is demonstrated. The as‐produced boron nitride nanotubes are both purified and solubilized through an environmentally friendly and scalable approach using water extraction and liquid bromine treatment. This treatment effectively removes elemental boron particles and excess bromine reacts with BNNTs, inducing B−N bond cleavage on the BNNT surface to yield hydroxyl (OH) and amino (NH2) functionalized BNNTs. The resulting functionalized BNNTs form stable aqueous solutions around neutral pH (4 < pH < 8), but readily precipitate in other pH ranges. This switchable solubility is explained in terms of the capability of the functional groups (OH and NH2) to form hydrogen‐bonding networks in water. Further, the solubility differences in selected polar organic solvents have been utilized to prepare functionalized BNNTs with higher purity.
About the assessment of gold concentrations in tiny inclusions within sulfide mineral matrix: An electron microprobe study
Authors: Finkelshtein Alexander L. , Tatarinov Vasiliy V. , Finkelstein Evgeniya , Pavlova Ludmila A. , Kravtsova Raisa G.
Published: August 2018

A method for estimating the native gold composition in micron‐ and submicron‐sized inclusions in the matrix of a sulfide mineral with electron probe X‐ray microanalysis is proposed. Such inclusion sizes are comparable with or less than the X‐ray generation volume, and therefore, the analytical signal is a mixture of signals from the matrix elements and the inclusion elements, which significantly complicates the quantification. The proposed procedure is based upon the extrapolation of the trend of the dependence of the measured elemental contents in the inclusions, for example, Au or Ag, versus the content of matrix elements, namely, S, Fe, and As. To define the influence of the inclusion size on the intensity of the excited X‐rays, the trajectories of the electrons in a sample were simulated by the Monte Carlo method. It was found that the trends in the behavior calculated by the Monte Carlo method are consistent with the data measurements of an artificial pyrite sample with a sprayed pure gold layer (approximately 1 μm thick) arranged perpendicular to the sample surface. The measurements were performed on a Superprobe JXA‐8200 microanalyzer. The proposed method was demonstrated by analyzing natural, finely dispersed gold inclusions in arsenopyrite. This approach made it possible to evaluate the Au and Ag contents in the approximately 1 μm inclusions and assess the uncertainty of the measurement.
Anomaly constraint on massless QCD and the role of Skyrmions in chiral symmetry breaking
Authors: Tanizaki Yuya
Published: August 2018

Abstract

We discuss consequences of the ’t Hooft anomaly matching condition for Quantum Chromodynamics (QCD) with massless fundamental quarks. We derive the new discrete ’t Hooft anomaly of massless QCD for generic numbers of color N
c and flavor N
f , and an exotic chiral-symmetry broken phase without quark-bilinear condensate is ruled out from possible QCD vacua. We show that the U(1)B baryon number symmetry is anomalously broken when the

$$ {\left({\mathrm{\mathbb{Z}}}_{2{N}_{\mathrm{f}}}\right)}_{\mathrm{A}} $$

ℤ

2

N
f

A

discrete axial symmetry and the flavor symmetry are gauged. In the ordinary chiral symmetry breaking, the Skyrmion current turns out to reproduce this ’t Hooft anomaly of massless QCD. In the exotic chiral symmetry breaking, however, the anomalous breaking of U(1)B does not take the correct form, and it is inconsistent with anomaly matching. This no-go theorem is based only on symmetries and anomalies, and thus has a wider range of applicability to the QCD phase diagram than the previous one obtained by QCD inequalities. Lastly, as another application, we check that duality of

$$ \mathcal{N}=1 $$

N
=
1

supersymmetric QCD with N
f ≥N
c + 1 satisfies the new anomaly matching.