bluuebunny/crossref_metadata_2025 huggingface dataset:
PLS‐DA for compositional data with application to metabolomics
Authors: Kalivodová Alžběta , Hron Karel , Filzmoser Peter , Najdekr Lukáš , Janečková Hana , Adam Tomáš
Published: July 2014

When quantifying information in metabolomics, the results are often expressed as data carrying only relative information. Vectors of these data have positive components, and the only relevant information is contained in the ratios between their parts; such observations are called compositional data. The aim of the paper is to demonstrate how partial least squares discriminant analysis (PLS‐DA)—the most widely used method in chemometrics for multivariate classification—can be applied to compositional data. Theoretical arguments are provided, and data sets from metabolomics are investigated. The data are related to the diagnosis of inherited metabolic disorders (IMDs). The first example analyzes the significance of the corresponding regression parameters (metabolites) using a small data set resulting from targeted metabolomics, where just a subset of potential markers is selected. The second example—the approach of untargeted metabolomics—was used for the analysis detecting almost 500 metabolites. The significance of the metabolites is investigated by applying PLS‐DA, accommodated according to a compositional approach. The significance of important metabolites (markers of diseases) is more clearly visible with the compositional method in both examples. Also, cross‐validation methods lead to better results in case of using the compositional approach. Copyright © 2014 John Wiley & Sons, Ltd.
Modulation of Magnetic Properties at Room Temperature: Coordination‐Induced Valence Tautomerism in a Cobalt Dioxolene Complex
Authors: Witt Alexander , Heinemann Frank W. , Sproules Stephen , Khusniyarov Marat M.
Published: July 2014

The valence‐tautomeric six‐coordinate complex [Co(tbdiox)2(4‐papy)2] (1; tbdiox=redox‐active 3,5‐di‐tert‐butyl‐o‐dioxolene, 4‐papy=4‐phenylazopyridine) was synthesized and its electronic structure examined. Whereas 1 shows regular thermally driven valence tautomerism in the solid state, it partially dissociates in solution to form the five‐coordinate species [Co(tbdiox)2(4‐papy)] (2) and free 4‐papy. Species 1 and 2 exhibit different electronic structures—low‐spin (ls) CoIII and high‐spin (hs) CoII, respectively—in solution at room temperature and therefore different magnetic properties. Since 1 and 2 are in an equilibrium that is 4‐papy‐dependent, the magnetic moment of the solution species can be tuned by means of the ligand content. Thus, the concept of coordination‐induced valence tautomerism (CIVT) has been introduced. The electronic structures of 1 and 2 as well as their CIVT were elucidated by X‐ray crystallography, electrochemistry, titration experiments, and all variable‐temperature SQUID susceptometry, NMR, EPR, and electronic absorption spectroscopy. The experimental findings are strongly supported by broken‐symmetry DFT calculations. The magnetic exchange interactions in different types of valence‐tautomeric cobalt complexes were explored computationally.
Structurally Tunable 3‐Cyanoformazanate Boron Difluoride Dyes
Authors: Barbon Stephanie M. , Reinkeluers Pauline A. , Price Jacquelyn T. , Staroverov Viktor N. , Gilroy Joe B.
Published: July 2014

The straightforward synthesis of a series of 3‐cyanoformazanate boron difluoride dyes is reported. Phenyl, 4‐methoxyphenyl and 4‐cyanophenyl N‐substituted derivatives were isolated and characterized by single‐crystal X‐ray crystallography, cyclic voltammetry, and UV/Vis spectroscopy. The compounds were demonstrated to possess tunable, substituent‐dependent absorption, emission, and electrochemical properties, which were rationalized through electronic structure calculations.
Expected population impacts of discontinued prostate‐specific antigen screening
Authors: Gulati Roman , Tsodikov Alex , Etzioni Ruth , Hunter‐Merrill Rachel A. , Gore John L. , Mariotto Angela B. , Cooperberg Matthew R.
Published: July 2014

BACKGROUND

Prostate‐specific antigen (PSA) screening for prostate cancer has high risks of overdiagnosis, particularly among older men, and reports from screening trials indicate that it saves few lives after 11 to 13 years of follow‐up. New clinical guidelines recommend against PSA screening for all men or for men aged >70 years, but, to the authors' knowledge, the expected population effects of these guidelines have not been studied to date.

METHODS

Two models of prostate cancer natural history and diagnosis were previously developed using reconstructed PSA screening patterns and prostate cancer incidence in the United States. Assuming a survival benefit of PSA screening consistent with the screening trials, the authors used the models to predict incidence and mortality rates for the period from 2013 through 2025 under continued PSA screening and under discontinued PSA screening for all men or for men aged >70 years.

RESULTS

The models predicted that continuation of recent screening rates will overdiagnose 710,000 to 1,120,000 men (range between models) but will avoid 36,000 to 57,000 cancer deaths over the period 2013 through 2025. Discontinued screening for all men eliminated 100% of overdiagnoses but failed to prevent 100% of avoidable cancer deaths. Continued screening for men aged <70 years eliminated 64% to 66% of overdiagnoses but failed to prevent 36% to 39% of avoidable cancer deaths.

CONCLUSIONS

Discontinuing PSA screening for all men may generate many avoidable cancer deaths. Continuing PSA screening for men aged <70 years could prevent greater than one‐half of these avoidable cancer deaths while dramatically reducing overdiagnoses compared with continued PSA screening for all ages. Cancer 2014;120:3519–3526. © 2014 American Cancer Society.
Impulsive synchronization of time delay bursting neuron systems with unidirectional coupling
Authors: Wang Zuolei , Jiang Yaolin , Li Hongli
Published: July 2014

In the article, impulsive synchronization of chaotic bursting in Hindmarsh–Rose neuron systems with time delay via partial state signal is investigated. Based on impulsive control theory of dynamical systems, the sufficient conditions on feedback strength and impulsive interval are established to guarantee the synchronization. Numerical simulations show the effectiveness of the proposed scheme. The obtained results may be helpful to understand dynamical mechanism of signal transduction in real neuronal activity. © 2014 Wiley Periodicals, Inc. Complexity 21: 38–46, 2015
Progress in Base‐Metal Water Oxidation Catalysis
Authors: Parent Alexander Rene , Sakai Ken
Published: July 2014

This minireview provides a brief overview of the progress that has been made in developing homogeneous water oxidation catalysts based on base metals (manganese, iron, cobalt, nickel, and copper) from the 1990s to mid‐2014. The impact of each contribution is analyzed, and opportunities for further improvement are noted. In addition, the relative stabilities of the base‐metal catalysts that have been reported are compared to illustrate the importance of developing more robust catalytic systems by using these metals. This manuscript is intended to provide a firm foundation for researchers entering the field of water oxidation based on base metals and a useful reference for those currently involved in the field.
Recent Advances in Atmospheric Vapor‐Phase Deposition of Transparent and Conductive Zinc Oxide
Authors: Illiberi Andrea , Poodt Paul , Bolt Pieter‐Jan , Roozeboom Fred
Published: July 2014

The industrial need for high‐throughput and low‐cost ZnO deposition processes has triggered the development of atmospheric vapor‐phase deposition techniques which can be easily applied to continuous, in‐line manufacturing. While atmospheric CVD is a mature technology, new processes for the growth of transparent conductive oxides on thermally sensitive materials or flexible substrates are being developed, such as atmospheric plasma‐enhanced (PE)‐CVD and atmospheric spatial atomic layer deposition (ALD). In this article, the challenges and recent results on the growth of ZnO under atmospheric pressure by CVD, PE‐CVD, and spatial ALD are reviewed and the use of these films as transparent electrodes in thin film solar cells are presented.
Full CVD Reel‐To‐Reel Process to Obtain Perfectly Oriented Silicon Films on Metal Tapes with Oxide Buffer Layers**
Authors: Moyzykh Mikhail , Samoilenkov Sergey , Amelichev Vadim , Vasiliev Alexander , Pozdnyakov Mikhail , Mankevich Alexey , Tschepikov Vsevolod , Kaul Andrey
Published: July 2014

Silicon films with a sharp biaxial texture on low‐cost, flexible metal tapes are prominent materials for cost‐effective photovoltaics. The cost of such materials can be further reduced by the application of easily scalable chemical deposition methods. In the present article, we report on the application of CVD to obtain epitaxial silicon films on Ni alloy tapes with metal‐organic (MO)CVD‐produced buffer layers. Two types of buffer layer architecture are presented, which enable textured silicon growth on textured Ni(Cr,W) alloy and on non‐textured Hastelloy tape. The Si film appears highly textured and demonstrates chemical purity, indicating the possibility of application of proposed Si/buffer/metal heterostructures formed by CVD for the photovoltaic industry.
Noise‐based spreading in code division multiple access systems for secure communications
Authors: Berber Stevan M.
Published: July 2014

Binary spreading sequences or chaotic nonbinary sequences are used in code division multiple access systems. In contrast to those sequences, this paper presents the theory, simulation, and implementation in digital signal processor technology of a code division multiple access system that uses random spreading sequences. The expressions for probability of bit error are derived for the cases when the additive white Gaussian noise and fading are present in the channel. Because the overall transmitted signal is a sum of random signals, the security of signal transmission in this communication system can be enormously increased and will depend on the goodness of the random sequence generator. The developed theory was confirmed by a prototype of the system that was designed in digital signal processor technology. The prototype used spreading sequences that had statistical characteristics very close to the characteristics of theoretical random sequences. The main problem in the system is how to synchronize the received spread sequence with the locally generated sequence. Hence, a mathematical model of the synchronization block for the system has been separately designed and developed. The synchronization procedure has been demonstrated on the basis of application of a periodically repeated pilot sequence. Copyright © 2014 John Wiley & Sons, Ltd.
Modified quantum superdense coding for distributed communications
Authors: Imre Sándor
Published: July 2014

The efficiency of medium access control strongly influences the performance of distributed wireless networks. Collisions in the channel and unused timeslots result in poor performance. On the other hand, quantum superdense coding proved that entanglement‐assisted quantum communications can improve the data transmission rates compared with classical systems. It allows sending two classical bits from one party to another in exchange of one quantum bit and a pre‐shared entangled Bell pair. This paper introduces a new protocol, which involves a modified version of superdense coding to medium access control of distributed communication systems. Using a pre‐shared entangled Bell pair and one classical bit, 2.5 classical bits can be transmitted in average between the parties in each timeslot. This means not only valuable increase in capacity, but the two‐way distributed operation opens new fields of investigation. Copyright © 2014 John Wiley & Sons, Ltd.
Highly increased risk of type 2 diabetes in patients with binge eating disorder and bulimia nervosa
Authors: Raevuori Anu , Suokas Jaana , Haukka Jari , Gissler Mika , Linna Milla , Grainger Marjut , Suvisaari Jaana
Published: July 2014

Objective

We aimed to examine the prevalence and incidence of type 2 diabetes (T2D) in a large patient cohort treated for binge eating disorder (BED), bulimia nervosa (BN), and anorexia nervosa.

Method

Patients (N = 2,342) treated at the Eating Disorder Unit of Helsinki University Central Hospital over the period up to 16 years were compared with matched general population controls (N = 9,368) in three stages: before entering to the treatment for an eating disorder, after the entrance until the end of the study period, and combined any time before, during, and after the treatment. The study population was linked with the oral TSD medication data of 17 years from The Medical Reimbursement Register. Data were analyzed using conditional and Poisson regression models.

Results

Before entering to the treatment for eating disorders, the risk of T2D was substantially increased in patients compared with controls (OR 6.6, 95% CI 4.0–10.7). At the end of the study period, the lifetime prevalence of T2D was 5.2% among patients, 1.7% among controls (OR 3.4, 95% CI 2.6–4.4), and in male patients, it was significantly higher compared with females. Of those treated for BED, every third had T2D by the end of the study period (OR 12.9, 95% CI 7.4–22.5), whereas the same was true for 4.4% of those with BN (OR 2.4, 95% CI 1.7–3.5).

Discussion

Our findings provide strong support for the association between T2D and clinically significant binge eating. Disturbed glucose metabolism may contribute to the onset and maintenance of BED and BN. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2015; 48:555–562)
Eudesmane‐Type Sesquiterpenes from Curcuma phaeocaulis and Their Inhibitory Activities on Nitric Oxide Production in RAW 264.7 Cells
Authors: Liu Yue , Ma Jianghao , Wang Ying , Donkor Paul Owusu , Li Qin , Gao Suyu , Hou Yaguang , Xu Yang , Cui Jianing , Ding Liqin , Zhao Feng , Kang Ning , Chen Lixia , Qiu Feng
Published: July 2014

Eight eudesmane‐type sesquiterpenes – phaeusmanes A–H (1–8) – isolated for the first time in this work, and four others (9–12) isolated for the first time from plants in this work, together with fourteen known eudesmane derivatives, were isolated from the rhizomes of Curcuma phaeocaulis. Their structures were elucidated by 1D and 2D NMR and CD spectroscopy and HRMS. Compound 8 is the first example of a nitrogen‐containing eudesmane‐type sesquiterpene isolated from the genus Curcuma. Furthermore, inhibitory effects of the isolated compounds on NO production in lipopolysaccharide‐activated macrophages were evaluated. Compounds 1, 6, 10, 19, 22, and 24 showed strong inhibitory activities on NO production with IC50 values of 3.2, 4.8, 1.2, 0.8, 3.8, and 0.8 μM, respectively. Preliminary structure–activity relationships for these compounds are proposed. A possible biogenetic pathway for nitrogen‐containing eudesmane‐type sesquiterpene 8 is postulated.
Concise Synthesis of Substituted Quinolizin‐4‐ones by Ring‐Closing Metathesis
Authors: Alanine Thomas A. , Galloway Warren R. J. D. , McGuire Thomas M. , Spring David R.
Published: July 2014

The 4H‐quinolizin‐4‐one scaffold is of significant pharmaceutical interest. This heterocyclic structure is predicted to have attractive physico‐chemical properties and is present in a variety of biologically active molecules. Despite these interesting characteristics, 4H‐quinolizin‐4‐ones are largely under‐represented in current small molecule screening libraries, and, therefore, this scaffold has been poorly investigated. Herein, a new strategy is reported for the syntheses of these rare and biologically interesting 4H‐quinolizin‐4‐ones. This modular route involves the regioselective N‐alkylation of 6‐halo‐2‐pyridones followed by a Stille cross‐coupling, ring‐closing metathesis, and palladium‐catalyzed dehydrogenation reaction sequence. This method furnishes the target compounds in good yields and allows for access to unusual substitution patterns that are difficult to achieve by using other synthetic strategies.
Enhanced Performance of Aqueous Sodium‐Ion Batteries Using Electrodes Based on the NaTi2(PO4)3/MWNTs–Na0.44MnO2 System
Authors: Pang Gang , Nie Ping , Yuan Changzhou , Shen Laifa , Zhang Xiaogang , Zhu Jiajia , Ding Bing
Published: July 2014

Sodium‐ion batteries with good electrochemical performance are of great significance for grid‐scale energy storage applications. Herein, an aqueous rechargeable Na‐ion battery has been fabricated with multiwalled carbon nanotube (MWNT)‐containing NaTi2(PO4)3/MWNTs nanocomposites as the anode and Na0.44MnO2 nanorods as the cathode in a 1 M aqueous Na2SO4 electrolyte and the device was carefully studied. Owing to the open framework structures (containing large interstitial sites) that both NaTi2(PO4)3 and Na0.44MnO2 possess, the fast Na‐ions will facilitate free transport. Benefiting from their unique structural features, the aqueous battery system exhibited an average charge and discharge voltage of approximately 1.1 V, a high energy density of 58.7 Wh kg−1 in terms of total electroactive materials, and could deliver a reversible capacity of approximately 50 mAh g−1 after 300 cycles at 2 C rate; the corresponding coulombic efficiency was nearly constant at approximately 95 %. These results, together with the safety and cost perspectives of aqueous electrolytes indicated that the aqueous Na‐ion battery may be a good candidate for safe, inexpensive, high‐power energy storage systems.
A Comparison of Raw‐to‐Scale Conversion Consistency Between Single‐ and Multiple‐Linking Using a Nonequivalent Groups Anchor Test Design
Authors: Liu Jinghua , Guo Hongwen , Dorans Neil J.
Published: July 2014

Maintaining score interchangeability and scale consistency is crucial for any testing programs that administer multiple forms across years. The use of a multiple linking design, which involves equating a new form to multiple old forms and averaging the conversions, has been proposed to control scale drift. However, the use of multiple linking often conflicts with the need for minimizing old item/form exposure and the need for pretesting. This study tried to find a balance point where the needs for equating, item/form exposure and controlling, and pretesting can be satisfied. Three equating scenarios were examined using real data: equating to one old form, equating to two old forms, or equating to three old forms. The finding is that the equating based on one old form produced persistent score drift and also showed increased variability in score means and standard deviations over time. In contrast, equating back to two or three old forms produced much more stable conversions and had less variation. Overall, equating based on multiple linking designs shows the promise of producing more consistent results and preventing scale drift. We recommend that testing programs and practitioners consider the use of multiple linking whenever possible.
Capacity analysis of power line communication point‐to‐point and relay channels
Authors: Sheikh‐Hosseini Mohsen , Hodtani Ghosheh Abed , Molavi–Kakhki Mohammad
Published: July 2014

In this paper, we present a capacity analysis for broadband power line communication (PLC) channels, impaired by the Bernoulli–Gaussian impulsive noise, exploiting both orthogonal frequency division multiplexing (OFDM) and single‐carrier frequency‐domain equalisation (SC‐FDE) techniques. First, we investigate point‐to‐point communications and formulate the continuous signal model for OFDM and SC‐FDE techniques in PLC environments and find the tight bounds derived for differential entropy of the non‐Gaussian noise samples. Capacity bounds and a certain capacity result for point‐to‐point PLC systems are also computed. Then, we analyse the capacity in the presence of a relay terminal between the transmitter and the receiver. In this part, we assume correlated noises between the relay and the receiver and derive general upper bound and achievable rate using partial decode‐and‐forward coding strategy for PLC channels. We also show that the obtained bounds coincide in degraded and reversely degraded special cases. Finally, using two statistical divergences, we compare the distances of the Bernoulli–Gaussian and Middleton class A noise models from the normal distribution of their background part and show that the Middleton class A noise is nearer to the Gaussian background noise than the Bernoulli–Gaussian. Therefore, the capacity curve for Middleton class A noise is between the capacity for the Gaussian background noise and the obtained capacity for the Bernoulli–Gaussian model. The obtained capacity theorems are also illustrated numerically. Copyright © 2014 John Wiley & Sons, Ltd.
Novel protection strategies for passive optical networks based on ring and bus topologies
Authors: Pavel Lafata
Published: July 2014

This paper is focused on passive optical networks (PONs), especially on increasing their network resilience. Because the most critical components in PONs are usually the optical line termination unit (OLT) and optical fibres connecting all network nodes, the main motivation presented within this paper is to improve the resistance of PON against critical failures of OLT and optical fibres between them. Both presented solutions are based on using dual OLT units and the application of asymmetric splitters in order to balance the attenuation and optical signal levels throughout the entire network, while the main innovation consists in the application of ring and bus topologies. Both bus and ring topologies can be formed easily using only passive splitters with optimum splitting ratios; therefore, no active components are necessary. The next advantage is the opportunity of placing both OLT units in physically diverse location, thus increasing the overall network resilience. Moreover, the presented idea with a bus topology offers an additional resistance against the failures of optical fibres connecting the splitters as well. Because the application of asymmetric passive splitters in both solutions is necessary in order to optimize the optical signal levels in the entire network, the mathematical models for calculating of their optimum splitting ratios are included. To verify the functionality of both topologies and their protection mechanisms, complex simulations were performed and are presented in this article as well. Copyright © 2014 John Wiley & Sons, Ltd.
IQ imbalance estimation and compensation schemes based on time‐frequency interferometry for OFDM
Authors: Oka Hikaru , Ahn Chang‐Jun , Omori Tatsuya , Hashimoto Ken‐ya
Published: July 2014

A direct‐conversion receiver (DCR) can reduce the power consumption and cost. However, a DCR with orthogonal frequency‐division multiplex (OFDM) suffers from IQ imbalance. Until this time, many algorithms have been proposed to compensate IQ imbalance in OFDM systems. However, the calculation complexity is still a considerable work to achieve the implementation of a DCR. Moreover, an accurate channel identification is also necessary for a DCR. Recently, time‐frequency interferometry‐OFDM (TFI‐OFDM) system has been proposed to achieve an accurate channel identification property with small number of pilot symbols, and it has a periodicity of pilot amplitude. In this paper, we focus on the feature of TFI and propose a novel IQ imbalance estimation and compensation schemes using TFI‐OFDM system. In the proposed system, by using the feature of the TFI pilot symbols, we can identify an IQ imbalance without high calculation complexity. Furthermore, by using subcarrier selection, the influence of the noise power can be reduced. From the simulation results, the proposed scheme can achieve the low complexity for IQ imbalance estimation and compensation without a degradation of the bit error rate performance. Copyright © 2014 John Wiley & Sons, Ltd.
Different TP53 mutations are associated with specific chromosomal rearrangements, telomere length changes, and remodeling of the nuclear architecture of telomeres
Authors: Samassekou Oumar , Bastien Nathalie , Lichtensztejn Daniel , Yan Ju , Mai Sabine , Drouin Régen
Published: July 2014

TP53 mutations are the most common mutations in human cancers, and TP53‐R175H and TP53‐R273H are the most frequent. The impact of these mutations on genomic instability after tumor initiation is still uncovered. To gain insight into this, we studied the effects of three specific TP53 mutants (TP53‐V143A, TP53‐R175H, and TP53‐R273H) on genomic instability using four isogenic lines of LoVo cells. Multicolor fluorescence in situ hybridization (FISH), three‐dimensional (3D) quantitative FISH (Q‐FISH) on interphase and Q‐FISH on metaphases were used to investigate genomic instability. We found that LoVo cells expressing mutant TP53‐R175H displayed the highest level of chromosomal instability among the LoVo cell lines. Furthermore, we observed that mutant TP53‐R175H and TP53‐V143A showed more alterations in their 3D nuclear architecture of telomeres than the mutant TP53‐R273H and the wild type. Moreover, we noted an association between some chromosomal abnormalities and telomere elongation in the mutant TP53‐R175H. Taken together, our results indicate that the mutation TP53‐R175H is more likely to cause higher levels of genomic instability than the other TP53 mutations. We proposed that the type of TP53 mutations and the genetic background of a cancer cell are major determinants of the TP53‐dependent genomic instability. © 2014 Wiley Periodicals, Inc.
A proposal to improve clarity and communication in the EU Classification process for chemicals for carcinogenicity and reproductive and developmental toxicity
Authors: Doe J. E.
Published: July 2014

There is an issue in the EU classification of substances for carcinogenicity and for reproductive or developmental toxicity which has brought difficulties to those involved in the process. The issue lies in the inability of the classification system to distinguish between carcinogens and reproductive toxicants with different levels of concern. This has its origins in the early years of toxicology when it was thought that a relatively small number of chemicals would be either carcinogens or reproductive toxicants, but this has turned out not to be the case. This can cause problems in communicating to the users of chemicals, including the public, the nature of the hazard presented by chemicals. Processes have been developed within the classification system for setting specific concentration limits which assess the degree of hazard for carcinogens and reproductive toxicants as high, medium or low. However these categories are not otherwise used in classification. It is proposed that their wider use would bring the advantages of transparency, clarity of communication, certainty of the process and would allow chemicals with a high degree of hazard to be identified and managed in an appropriate way. Copyright © 2014. The Authors. Journal of Applied Toxicology Published by John Wiley & Sons Ltd.
Construction of Nitrogen‐Containing 9‐Membered Ring Epoxy Vinyl Ethers via Gold(I)‐Catalyzed Intramolecular Cyclization Reactions of Acyclic 5‐Aza‐2,3‐epoxy‐7‐yn‐1‐ols
Authors: Lin Hsin‐Hui , Chen Yi‐Ju , Liao Kuan‐Yu , Yeh Ming‐Chang P.
Published: July 2014

A series of substituted nitrogen‐containing 9‐membered epoxy vinyl ethers has been constructed from easily available 5‐aza‐2,3‐epoxy‐7‐yn‐1‐ols. Attack of the hydroxyl group onto the gold(I)‐activated alkyne gave the postulated 9‐membered allylic vinyl ether gold intermediate which underwent protodeauration affording the 9‐membered epoxy vinyl ethers.
Photolysis of Some N‐Arylbenzamidoximes in Acetonitrile
Authors: Gaber Abd El‐Aal M. , Ahmed Saleh A. , Khairou Khalid S. , Taib Layla A.
Published: July 2014

The photolysis of five N‐arylbenzamidoxime derivatives I‐V in dry acetonitrile gives rise to anilides 8 and benzimidazoles 1 as the major products in addition to benzonitrile 4, arylamines 5, benzoic acid 6, and 2‐phenyl benzoxazoles 7. In the presence of naphthalene, I gave α‐ and β‐naphthols 2 and 3 beside the previous products. The isolated products have been interpreted in the terms of a free radical mechanism involving the homolysis of N‐O and/or C‐N bonds. This photodegradation process can be considered as an alternative method for the synthesis of anilide, benzimidazole and benzoxazole derivatives in addition to other organic compounds.
Longitudinal in vivo MR imaging of live earthworms
Authors: Budán Ferenc , Kovács Noémi , Engelmann Péter , Horváth Ildikó , Veres Dániel S. , Németh Péter , Szigeti Krisztián , Máthé Domokos
Published: July 2014

Earthworm (Oligochaeta, Lumbricidae) species are used widely in eco‐toxicological tests especially with contaminated soils. These long‐term tests are reliable, but a high sample size is needed. Magnetic resonance imaging (MRI) can produce fast, robust, sensitive, and longitudinal morphological results using a small sample size. Performing longitudinal in vivo examinations of earthworms using MRI requires the need for anesthetics to completely avoid earthworm's moving. Our goal was to develop a simple and non‐invasive method to anesthetize earthworms for in vivo longitudinal imaging studies. We investigated a number of different anesthesia methods and found that propan‐2‐ol and its vapor was optimal. We used a commercial sequential nanoScan® PET/MRI system (Mediso Ltd, Hungary, Budapest) to explore feasibility of MR imaging in immobilized earthworms. It was possible to visualize via micro MRI the brain, gastrointestinal tract, seminal vesicles, calciferous gland (Morren gland), and main blood vessels of the circulatory system. Our findings show the possibilities to examine changes in morphology using MRI of certain organs using a reversible, long‐term immobilization method. J. Exp. Zool. 321A: 479–489, 2014. © 2014 Wiley Periodicals, Inc.
Antioxidant activities of rice bran protein hydrolysates in bulk oil and oil‐in‐water emulsion
Authors: Cheetangdee Nopparat , Benjakul Soottawat
Published: July 2014

BACKGROUND

Recently, utilization of natural antioxidants in food processing has been of growing interest, owing to the concerns of health hazards of synthetic agents. Protein hydrolysates are a potent candidate for this purpose. In this work, rice bran protein hydrolysates (RBPH) with various degrees of hydrolysis (DH) were prepared, and their antioxidant activities in soybean oil and oil‐in‐water (O/W) emulsion were examined.

RESULTS

With increasing DH, RBPH showed increasing antioxidant activities, as evidenced by the increases in DPPH radical scavenging activity, reducing power and ferrous chelating activity (P < 0.05). The improved activity was associated with increasing surface hydrophobicity (SoANS). After hydrolysis for 60 min, the content of hydrophobic amino acids was increased. When RBPH with various DH were incorporated into bulk soybean oil and O/W emulsion stored at 37 °C for up to 15 days, lipid oxidation was successfully retarded, especially when DH increased. The efficiency in prevention of oxidation was dose dependent (0–10 g L−1), as indicated by the lower peroxide value and thiobarbituric reactive substances.

CONCLUSION

The present work suggests that RBPH might be potently employed as a natural antioxidant in both bulk oil and emulsion models. © 2014 Society of Chemical Industry
Deliberate Self‐Harm and Suicidal Ideation Among Male Iraq/Afghanistan‐Era Veterans Seeking Treatment for PTSD
Authors: Kimbrel Nathan A. , Johnson Margaret E. , Clancy Carolina , Hertzberg Michael , Collie Claire , Van Voorhees Elizabeth E. , Dennis Michelle F. , Calhoun Patrick S. , Beckham Jean C.
Published: July 2014

The objectives of the present research were to examine the prevalence of deliberate self‐harm (DSH) among 214 U.S. male Iraq/Afghanistan‐era veterans seeking treatment for posttraumatic stress disorder (PTSD) and to evaluate the relationship between DSH and suicidal ideation within this population. Approximately 56.5% (n = 121) reported engaging in DSH during their lifetime; 45.3% (n = 97) reported engaging in DSH during the previous 2 weeks. As hypothesized, DSH was a significant correlate of suicidal ideation among male Iraq/Afghanistan‐era veterans, OR = 3.88, p < .001, along with PTSD symptom severity, OR = 1.03, p < .001, and combat exposure, OR = 0.96, p = .040. A follow‐up analysis identified burning oneself, OR = 17.14, p = .017, and hitting oneself, OR = 7.93, p < .001, as the specific DSH behaviors most strongly associated with suicidal ideation. Taken together, these findings suggest that DSH is quite prevalent among male Iraq/Afghanistan‐era veterans seeking treatment for PTSD and is associated with increased risk for suicidal ideation within this population. Routine assessment of DSH is recommended when working with male Iraq/Afghanistan veterans seeking treatment for PTSD.
Temperature Dependence Kinetic Studies of the Reaction of O(3P) with CHI3 and C2H5I and the 298 K Reaction of OH(X2Π) with CHI3
Authors: ZHANG SHAOLIANG , STREKOWSKI RAFAL , MONOD ANNE , BOSLAND LOÏC , ZETZSCH CORNELIUS
Published: July 2014

A flash photolysis–resonance fluorescence technique was used to investigate the kinetics of the OH(X2Π) radical and O(3P) atom‐initiated reactions with CHI3 and the kinetics of the O(3P) atom‐initiated reaction with C2H5I. The reactions of the O(3P) atom with CHI3 and C2H5I were studied over the temperature range of 296 to 373 K in 14 Torr of helium, and the reaction of the OH (X2Π) radical with CHI3 was studied at T = 298 K in 186 Torr of helium. The experiments involved time‐resolved resonance fluorescence detection of OH (A2Σ+ → X2Π transition at λ = 308 nm) and of O(3P) (λ = 130.2, 130.5, and 130.6 nm) following flash photolysis of the H2O/He, H2O/CHI3/He, O3/He, and O3/C2H5I/He mixtures. A xenon vacuum UV (VUV) flash lamp (λ > 120 nm) served as a photolysis light source. The OH radicals were produced by the VUV flash photolysis of water, and the O(3P) atoms were produced by the VUV flash photolysis of ozone. Decays of OH radicals and O(3P) atoms in the presence of CHI3 and C2H5I were observed to be exponential, and the decay rates were found to be linearly dependent on the CHI3 and C2H5I concentrations. Measured rate coefficients for the reaction of O(3P) atoms with CHI3 and C2H5I are described by the following Arrhenius expressions (units are cm3 s−1): kO+C2H5I(T) = (17.2 ± 7.4) × 10−12 exp[−(190 ± 140)K/T] and kO+CHI3(T) = (1.80 ± 2.70) × 10−12 exp[−(440 ± 500)K/T]; the 298 K rate coefficient for the reaction of the OH radical with CHI3 is kOH+CHI3(298 K) = (1.65 ± 0.06) × 10−11 cm3 s−1. The listed uncertainty values of the Arrhenius parameters are 2σ‐standard errors of the calculated slopes by linear regression.
Reactivity Trends and Kinetic Inspection of Hydroxide Ion Attack and DNA Interaction on Some Pharmacologically Active Agents of Fe(II) Amino Acid Schiff Base Complexes at Different Temperatures
Authors: ABDEL‐RAHMAN LAILA H. , EL‐KHATIB RAFAT M. , NASSR LOBNA A. E. , ABU‐DIEF AHMED M.
Published: July 2014

The reactivity of few novel high‐spin Fe(II) complexes of Schiff base ligands derived from 2‐hydroxynaphthaldehyde and some variety of amino acids with the OH− ion has been examined in an aqueous mixture at the temperature range from 10 to 40°C. Based on the kinetic investigations, the rate law and a plausible mechanism were proposed and discussed. The general rate equation was suggested as follows: rate = kobs[complex], where kobs. = k1 + k2[OH−]. Base‐catalyzed hydrolysis kinetic measurements imply pseudo–first‐order doubly stage rates due the presence of mer‐ and fac‐isomers. The observed rate constants kobs are correlated with the effect of substituent R in the structure of the ligands. From the effect of temperature on the rate base hydrolysis reaction, various thermodynamic parameters were evaluated. The evaluated rate constants and activation parameters are in a good agreement with the stability constants of the investigated complexes. Moreover, the reactivity of the investigated complexes toward DNA was examined and found to be in a good agreement with the reported binding constants.
Compound Structure‐Independent Activity Prediction in High‐Dimensional Target Space
Authors: Balfer Jenny , Hu Ye , Bajorath Jürgen
Published: July 2014

Profiling of compound libraries against arrays of targets has become an important approach in pharmaceutical research. The prediction of multi‐target compound activities also represents an attractive task for machine learning with potential for drug discovery applications. Herein, we have explored activity prediction in high‐dimensional target space. Different types of models were derived to predict multi‐target activities. The models included naïve Bayesian (NB) and support vector machine (SVM) classifiers based upon compound structure information and NB models derived on the basis of activity profiles, without considering compound structure. Because the latter approach can be applied to incomplete training data and principally depends on the feature independence assumption, SVM modeling was not applicable in this case. Furthermore, iterative hybrid NB models making use of both activity profiles and compound structure information were built. In high‐dimensional target space, NB models utilizing activity profile data were found to yield more accurate activity predictions than structure‐based NB and SVM models or hybrid models. An in‐depth analysis of activity profile‐based models revealed the presence of correlation effects across different targets and rationalized prediction accuracy. Taken together, the results indicate that activity profile information can be effectively used to predict the activity of test compounds against novel targets.
Trigeminal‐hypoglossal silent period: A pontomedullary brainstem reflex
Authors: Urban Peter P.
Published: July 2014

Introduction: Animal studies have shown inhibitory connections between the sensory trigeminal nucleus and hypoglossal nucleus. I investigated whether these inhibitory projections are present in humans. Methods: I examined 18 healthy subjects, 2 patients with brainstem stroke, and 5 patients with multiple sclerosis using a specially designed oral stimulation and recording device. Results: In 16 of 18 subjects, a bilateral suppression period of tongue muscle activity after unilateral electrical stimulation of the mucosal V2 afferents was observed. The silent period started at 31.1 (SD 4.7) ms (ipsilateral) and 32.0 (SD 4.9) ms (contralateral). The mean duration of the silent period was 31.4 (SD 10.2) ms (ispilateral) and 32.5 (SD 9.8) ms (contralateral). Patients with dorsolateral pontomedullary lesions had ipsilateral absence of the silent period. Conclusions: This study confirms the existence of a bilateral trigeminal‐hypoglossal silent period in humans. Muscle Nerve 51: 538–540, 2015
Frequent coexistence of RAS mutations in RUNX1‐mutated acute myeloid leukemia in Arab Asian children
Authors: Al‐Kzayer Lika'a Fasih Y. , Sakashita Kazuo , Al‐Jadiry Mazin Faisal , Al‐Hadad Salma Abbas , Uyen Le T.N. , Liu Tingting , Matsuda Kazuyuki , Abdulkadhim Jaafar M.H. , Al‐Shujairi Tariq Abadi , Matti Zead Ismael I.K. , Hasan Janan Ghalib , Al‐Abdullah Hussam M. Salih , Inoshita Toshi , Kamata Minoru , Sughayer Maher A. , Madanat Faris F. , Koike Kenichi
Published: July 2014

Background

RUNX1 mutation plays an important role in adult leukemic transformation. However, its contribution to the development of childhood leukemia remains unclear. In the present study, we analyzed point mutations of RUNX1 gene in children and adolescents with acute myeloid leukemia (AML) from Iraq and Jordan.

Procedure

Bone marrow and/or peripheral blood samples were collected from 178 patients of Arab Asian ethnicity (aged ≤17 years) newly diagnosed with AML: 145 samples from Iraq and 33 samples from Jordan. Direct DNA sequencing was performed on six genes including RUNX1 gene (exons 3–8).

Results

RUNX1 point mutations were identified in 10 (5.6%) of 178 patients. One patient possessed biallelic mutations of RUNX1 gene. C‐terminal area was the predominant site of RUNX1 mutations (eight in C‐terminal and two in N‐terminal). Patients with RUNX1 mutations were significantly older than those with wild‐type of the gene. Additionally, AML M0 subtype was more frequently found in patients with RUNX1 mutations. Both RUNX1 mutations and RAS mutations were identified in 4 of 10 children. Three patients with RUNX1 mutation had FLT3‐ITD. On the other hand, 36 (21.4%) and 25 (14.9%) of 168 patients with wild‐type of the gene had a RAS mutation and FLT3‐ITD, respectively. Eight of 10 patients with RUNX1 mutations died of hematological relapse.

Conclusion

The incidence of RUNX1 mutations in Arab Asian children and adolescents with AML was 5.6%. Further studies are required to clarify whether RAS mutations contribute to the development of pediatric AML associated with RUNX1 mutations. Pediatr Blood Cancer 2014;61:1980–1985. © 2014 Wiley Periodicals, Inc.
Dyskeratosis congenita caused by a novel TERT point mutation in siblings with pancytopenia and exudative retinopathy
Authors: Sharma Akshay , Myers Kasiani , Ye Zhan , D'Orazio John
Published: July 2014

Two siblings presenting with exudative retinopathy, thrombocytopenia, and macrocytosis were found to have markedly shortened telomeres and a previously unreported inherited mutation in TERT, c.2603A>G. Revesz syndrome, a subtype of dyskeratosis congenita (DC) caused by TINF2 mutation, combines marrow failure with exudative retinopathy, intracranial calcifications, and neurocognitive impairment. As our patients manifested neither intracranial calcification nor significant neurocognitive impairment, we conclude that the c.2603A>G TERT mutation may define a subtype of DC manifesting first as exudative retinopathy without other signs of DC. Children with exudative retinopathy should be periodically screened for macrocytosis and cytopenias to evaluate for underlying DC. Pediatr Blood Cancer 2014;61:2302–2304. © 2014 Wiley Periodicals, Inc.
Cyclacenes and short zigzag nanotubes with alternanting Ge―C bonds: theoretical impacts of Ge on the ground state, strain, and band gap
Authors: Koohi Maryam , Ghavami Monireh , Haerizade Bibi Narjes , Zandi Hasan , Kassaee Mohammad Zaman
Published: July 2014

[6]n Cyclacenes and short zigzag [6]n carbon nanotubes (n = 5–10) have unstable singlet open‐shell (Sos) ground states. We have boosted their stability by implementing altering Ge―C bonds that acquire Scs ground states with larger band gap (ΔELUMO–HOMO) at B3LYP and BPW91 levels of theory. Fascinatingly, homodesmic calculations indicated release of almost two folds of strain energy upon substitution of germanium for carbon. This may turn the green lights for synthesis of germanium–carbon cyclacenes and short zigzag nanotubes. Copyright © 2014 John Wiley & Sons, Ltd.
Main outcomes of the Move More for Life Trial: a randomised controlled trial examining the effects of tailored‐print and targeted‐print materials for promoting physical activity among post‐treatment breast cancer survivors
Authors: Short Camille E. , James Erica L. , Girgis Afaf , D'Souza Mario I , Plotnikoff Ronald C.
Published: July 2014

Background

Participation in physical activity can improve the health outcomes of breast cancer survivors. To impact public health, broad‐reaching sustainable interventions that promote physical activity are needed.

Purpose

To evaluate the efficacy of two distance‐based interventions for promoting physical activity among breast cancer survivors compared with a standard recommendation control.

Methods

Breast cancer survivors who had finished ‘active’ cancer treatment were eligible to participate. Participants (n = 330) were randomly assigned to receive one of the following mail‐delivered interventions: three computer‐tailored newsletters, a previously developed breast cancer‐specific physical activity booklet or a pamphlet detailing the public health recommendations for physical activity (control). Primary outcomes were self‐reported moderate to vigorous aerobic activity and participant's self‐reported resistance training activity at 4 months post‐baseline. Secondary outcomes were pedometer step counts, whether or not participants were meeting the physical activity guidelines, time spent in sedentary behaviour, fatigue and health‐related quality of life.

Results

Participants randomised into the tailored‐print intervention group were three times more likely to commence resistance training and meet the resistance‐training guidelines immediately after the intervention than participants allocated to the control group. There were no other significant intervention effects.

Conclusion

Computer‐tailored newsletters may be an effective strategy for enhancing resistance‐based physical activity among breast cancer survivors. The null findings relating to other outcomes may be due to ceiling effects (in the case of aerobic activity, fatigue and health‐related quality of life) or the sensitivity of the measure used (in the case of sitting time). These issues require further exploration. Copyright © 2014 John Wiley & Sons, Ltd.
Synthesis and Characteristics of Bis(nitrofurazano)furazan (BNFF), an Insensitive Material with High Energy‐Density
Authors: Zhang Yu , Zhou Cheng , Wang Bozhou , Zhou Yanshui , Xu Kangzhen , Jia Siyuan , Zhao Fengqi
Published: July 2014

The insensitive compound bis(nitrofurazano)furazan (BNFF) with high energy‐density was synthesized by three‐step reactions and fully characterized. The key reduction reaction was discussed. BNFF has a high crystal density (1.839 g cm−3) and a low melting point (82.6 °C). BNFF is insensitive to impact and friction and has similar detonation velocity (8680 m s−1) and detonation pressure (36.1 GPa) compared to RDX.
Lessons learned from case studies of hazardous waste/chemical reactivity incidents
Authors: Cox Brenton L. , Carpenter Andrew R. , Ogle Russell A.
Published: July 2014

The treatment of hazardous waste poses some unique chemical reactivity hazard management challenges. Hazardous waste in the United States is regulated by the Resource Conservation and Recovery Act, typically due to potential environmental and health hazards. However, hazardous waste can also have chemical reactivity hazards associated with storage, handling, or mixing with other materials. The U.S. Environmental Protection Agency has been active in communicating chemical reactivity hazards to the regulated community and has identified numerous sources for additional information. The Center for Chemical Process Safety has also been very active in providing advisory materials and monographs on the safe management of chemical reactivity hazards. Other federal government agencies, such as the Chemical Safety Board and the Occupational Safety and Health Administration, have also taken up the call for increased awareness of the hazards of unintentional chemical reactions.

Despite these efforts, history of incidents indicates that reactive chemical hazards associated with hazardous waste still go overlooked. In this article, we review hazardous waste incidents through case studies and public sector reports through the lens of chemical reactivity hazard management. In each incident, inadvertent heating resulted in an unintended chemical reaction, and sufficient information existed or could have been obtained to identify the hazards. © 2014 American Institute of Chemical Engineers Process Saf Prog 33: 395–398, 2014