bluuebunny/crossref_metadata_2025 huggingface dataset:
Morpho-Molecular and Management of Pomegranate (Punica granatum L.) Wilt Caused by Ceratocystis fimbriata Ellis and Halst
Authors: Lokure Suhas , Y, M Somasekhara, , GK Ravichandra
Published: July 2024

Pomegranate wilt poses a significant threat to pomegranate production, holding considerable economic importance in the cultivated regions of pomegranates. The study investigated the wilt in pomegranate cultivation, revealing characteristic symptoms including yellowing and/or wilting of the leaves on a single branch usually in the upper crown and senescence. Brown discoloration was observed in the root, stem and branches of severely affected plants. The cross-sectioned root and stem portions of the wilted plants showed only the presence of brown discolorations in the vascular regions. The wilt incidence in Karnataka ranging from 1.14 to 62.06 Percent. PCR analysis and 18S rDNA region was sequenced, it has been confirmed C. fimbriata as the causal organism for pomegranate wilt and Phylogenetic analyses placed the pomegranate isolates among members of the LAC of the C. fimbriata complex; specifically, to populations that appear to be native to eastern and northern South America. Optimal growth of the pathogen was observed at 30 °C with pH 7.0 and best media for culturing C. fimbriata is Potato dextrose agar and Potato carrot agar, in vitro evaluation of fungicides showed propiconazole and mancozeb highest inhibiting mycelial growth. Trichoderma viride (Tv-3) and Bacillus subtilis emerged as the most effective bio-agent, while pongamia leaf extract exhibited maximum fungal growth inhibition. These can be used for the management of wilt disease.
Evaluating the Influence of Different Agronomic Strategies on the Growth and Development of Maize (Zea mays L.) Grown in Rice Fallows of Northern Telangana Zone
Authors: Harshitha Ganta , Sreenivas G. , Mahesh N. , Chandrashekhar K. , Biswal Anima , Srikanth P.
Published: July 2024

Aims: To study the changes in plant height, dry matter production, leaf area and plant population under different tillage practices, irrigation and nitrogen levels in rice fallow maize.
Study Design: Split- split plot design.
Place and Duration of Study: Regional Agricultural Research Station farm, Polasa, Jagtial during rabi 2022-23 and 2023-24.
Methodology: The experiment was laid out in split- split plot design with twelve treatment combinations that includes 2 main plot, 3 sub plot and 2 sub-sub plot treatments which are replicated thrice. The treatments are as follows: Main plots: T1- Zero tillage, T2- Conventional tillage (tillage with cultivator twice fb rotovator twice); Sub plots: I1- Irrigation at 60% ASM, I2- Irrigation at 40% ASM and I3- Irrigation at six critical stages; and Sub-sub plot treatments: N1- 100% RDN (240 kg ha-1) and N2- 120% RDN (288 kg ha-1).
Results: Results indicated that highest mean plant height was recorded in conventional tillage (65.8, 204.4 & 210.9 cm) and in N2 treatment (64.6, 201.3 & 207.6 cm) during sixth leaf, silking and physiological maturity respectively. Irrigations showed non-significant effect during sixth leaf and during other two stages I3 treatment has recorded higher plant height (200.1 & 206.6 cm). Similar results were obtained in case of leaf area. The mean dry weight was also higher in conventional tillage (17915 kg ha-1), I3 treatment (16789 kg ha-1) and N2 (16418 kg ha-1). The initial plant population was higher in conventional tillage (7.2 plants m-2) than that of zero tillage and irrigation & nitrogen levels has no effect on population.
Conclusion: All the growth parameters were significantly affected by tillage, irrigation and nitrogen levels at all the stages except the influence of irrigation on plant height at sixth leaf stage. Plant population was significantly affected by tillage but non-significant effect was recorded by irrigation an nitrogen levels. Interaction was found between irrigation and nitrogen levels in-case of dry matter production.
Comparison of UV‐Curing, Hotmelt, and Pressure Sensitive Adhesive as Roll‐to‐Roll Encapsulation Methods for Polymer Solar Cells
Authors: Hösel Markus , Søndergaard Roar R. , Jørgensen Mikkel , Krebs Frederik C.
Published: July 2013

The most distinct advantage of the polymer solar cell is the possibility for roll‐to‐roll (R2R) fabrication compatibility based on printing and coating processes. The R2R encapsulation is the last crucial process step in the manufacturing workflow and is evaluated in this study. Polymer solar cell modules are directly printed on barrier foil and encapsulated with the same barrier foil either on the backside or on both sides of the device. The three lamination methods comprise of UV‐curable epoxy resin, hotmelt, and pressure sensitive adhesive (PSA). It is shown that a single‐sided encapsulation with UV‐curable adhesive is enough to achieve the same or better lifetime than double‐sided encapsulation with all the adhesives utilized here. This is mainly due to the good edge sealing effect of the thin adhesive with no edge bleaching after 900 h of constant illumination. Although the fabrication of the PSA method is the fastest method (in this study) it generates a considerable amount of waste (paper liner) and two lamination steps are required to achieve a sufficient lifetime. We conclude that UV‐curing presents the largest advantages of all methods with a good upscaling potential and low embodied energy due to the possibility for single‐sided encapsulation.
Microduplication of 15q13.3 and Xq21.31 in a family with tourette syndrome and comorbidities
Authors: Melchior Linea , Bertelsen Birgitte , Debes Nanette Mol , Groth Camilla , Skov Liselotte , Mikkelsen Jens D , Brøndum‐Nielsen Karen , Tümer Zeynep
Published: July 2013

Tourette syndrome (TS) is a childhood onset neurodevelopmental disorder. Although it is widely accepted that genetic factors play a significant role in TS pathogenesis the etiology of this disorder is largely unknown. Identification of rare copy number variations (CNVs) as susceptibility factors in several neuropsychiatric disorders such as attention deficit‐hyperactivity disorder (ADHD), autism and schizophrenia, suggests involvement of these rare structural changes also in TS etiology. In a male patient with TS, ADHD, and OCD (obsessive compulsive disorder) we identified two microduplications (at 15q13.3 and Xq21.31) inherited from a mother with subclinical ADHD. The 15q duplication included the CHRNA7 gene; while two genes, PABPC5 and PCDH11X, were within the Xq duplication. The Xq21.31 duplication was present in three brothers with TS including the proband, but not in an unaffected brother, whereas the 15q duplication was present only in the proband and his mother. The structural variations observed in this family may contribute to the observed symptoms, but further studies are necessary to investigate the possible involvement of the described variations in the TS etiology. © 2013 Wiley Periodicals, Inc.
The Impact of the Mukaiyama Aldol Reaction in Total Synthesis
Authors: Kan S. B. Jennifer , Ng Kenneth K.‐H. , Paterson Ian
Published: July 2013

Four decades since Mukaiyama’s first reports on the successful application of silicon and boron enolates in directed aldol reactions, the ability of this highly controlled carbon–carbon bond‐forming method to simultaneously define stereochemistry, introduce complexity, and construct the carbon skeleton with a characteristic 1,3‐oxygenation pattern has made it a powerful tool for natural product synthesis. This Minireview highlights a number of representative total syntheses that demonstrate the impact of the Mukaiyama aldol reaction and discusses the underlying mechanistic rationale that determines the stereochemical outcomes.
The effect of pH and calcium ions on the stability of amphiphilic and anionic β‐sheet peptide hydrogels
Authors: Zarzhitsky Shlomo , Edri Hodaya , Azoulay Ziv , Cohen Ifat , Ventura Yvonne , Gitelman Anna , Rapaport Hanna
Published: July 2013

Amphiphilic peptides can form bottom‐up‐designed self‐assembled hydrogels composed of elongated fibril matrices that could find uses in various biologically‐related systems, acting as platforms for drug delivery or scaffolds that mimic extracellular matrices in tissue regeneration systems. We have previously reported that the amphiphilic and anionic β‐sheet forming peptide, Pro‐Asp‐(Phe‐Asp)5‐Pro, PFD‐5, generates hydrogels that template calcium‐phosphate mineral and as such, were able to enhance bone formation in vivo. Our earlier results prompted us to further exploit the effects of pH and calcium ion concentration on PFD‐5 peptide in solution, in hydrogels and in mineral‐loaded hydrogel compositions. Circular dichroism‐based characterization of solutions of the peptide demonstrated transitions between the unfolded state to a β‐sheet structure as function of peptide concentration, pH and calcium ion concentration. FTIR measurements were employed to monitor differences between the structure of the peptide in solution and in hydrogels. Rheology and dissolution studies demonstrated the improved stability of hydrogels prepared by a two‐step procedure, where the peptides are dissolved and self‐assemble in the first step, while in the second step, calcium ions are allowed to adsorb onto the system. These results, highlighting the effects of a few central factors on the structure, assembly and stability of amphiphilic and anionic β‐sheet peptide systems, will contribute to the further development of designed self‐assembled peptide systems from solutions to hydrogels and hydrogel‐loaded matrices, such as mineral putty compositions. © 2013 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 100: 760–772, 2013.
A serendipitous survey of prediction algorithms for amyloidogenicity
Authors: Roland Bartholomew P. , Kodali Ravindra , Mishra Rakesh , Wetzel Ronald
Published: July 2013

The 17‐ amino acid N‐terminal segment of the Huntingtin protein, httNT, grows into stable α‐helix rich oligomeric aggregates when incubated under physiological conditions. We examined 15 scrambled sequence versions of an httNT peptide for their stabilities against aggregation in aqueous solution at low micromolar concentration and physiological conditions. Surprisingly, given their derivation from a sequence that readily assembles into highly stable α‐helical aggregates that fail to convert into β‐structure, we found that three of these scrambled peptides rapidly grow into amyloid‐like fibrils, while two others also develop amyloid somewhat more slowly. The other 10 scrambled peptides do not detectibly form any aggregates after 100 h incubation under these conditions. We then analyzed these sequences using four previously described algorithms for predicting the tendencies of peptides to grow into amyloid or other β‐aggregates. We found that these algorithms—Zyggregator, Tango, Waltz, and Zipper—varied greatly in the number of sequences predicted to be amyloidogenic and in their abilities to correctly identify the amyloid forming members of this scrambled peptide collection. The results are discussed in the context of a review of the sequence and structural factors currently thought to be important in determining amyloid formation kinetics and thermodynamics. © 2013 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 100: 780–789, 2013.
Chemical modulation of bioactive compounds via oligopeptide or amino acid conjugation
Authors: Kwak Seon‐Yeong , Yang Jin‐Kyoung , Kim Jong‐Ho , Lee Yoon‐Sik
Published: July 2013

Conjugation of an oligopeptide or an amino acid to bioactive compounds is one of the simplest chemical modifications to modulate the biological functions of the compounds. Recently, numerous methods have been proposed for the modification of their properties, including the alteration of their chemical and physical properties, and of their original bioactivities. We review the current knowledge of the adaptability of oligopeptide or amino acid conjugation for modulating the biological activities of biomolecules. © 2013 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 100: 584–591, 2013.
Biomimetic synthesis of cyclic peptides using novel thioester surrogates
Authors: Hemu Xinya , Taichi Misako , Qiu Yibo , Liu Ding‐Xiang , Tam James P.
Published: July 2013

Acyl shifts involving N‐S and S‐S rearrangements are reactions central to the breaking of a peptide bond and forming of thioester intermediates in an intein‐catalyzed protein splicing that ultimately leads to the formation of a new peptide bond by an uncatalyzed S‐N acyl shift reaction. To mimic these three acyl shift reactions in forming thioesters and the subsequent peptide ligation, here we describe the development of two 9‐fluorenylmethoxycarbonyl (Fmoc)‐compatible thioester surrogates that can undergo uncatalyzed N‐S, S‐S, and S‐N acyl shifts for preparing thioesters and cyclic peptides. These surrogates were incorporated as a C‐terminal amido moiety of a target peptide using Fmoc chemistry by solid‐phase synthesis, and then transformed into a thioester or thiolactones via two acyl shift reactions with or without the presence of an external thiol under acidic conditions. The proposed intein‐mimetic thioester surrogates were prepared using readily available starting materials including N‐methyl cysteine or 2‐thioethylbutylamide. A key functional moiety shared in their design is the thioethylamido (TEA) moiety, which is essential to effect a proximity‐driven N‐S acyl shift under a favorable five‐member ring transition in the breaking of a peptide bond. Thus, the tandem series of acyl shifts effected by a TEA moiety in a thioester surrogate together with a thioethylamino moiety of an N‐terminal Cys residue in a linear peptide precursor are chemical mimics of an intein, as they mediate both excision and ligation reactions in forming cyclic peptides including cyclic conotoxin and sunflower trypsin inhibitor described herein. © 2013 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 100: 492–501, 2013.
Development of a novel nanoparticle by dual modification with the pluripotential cell‐penetrating peptide PepFect6 for cellular uptake, endosomal escape, and decondensation of an siRNA core complex
Authors: Mitsueda Asako , Shimatani Yuri , Ito Masahiro , Ohgita Takashi , Yamada Asako , Hama Susumu , Gräslund Astrid , Lindberg Staffan , Langel Ülo , Harashima Hideyoshi , Nakase Ikuhiko , Futaki Shiroh , Kogure Kentaro
Published: July 2013

Development of novel devices for effective nucleotide release from nanoparticles is required to improve the functionality of nonviral delivery systems, because decondensation of nucleotide/polycation complexes is considered as a key step for cytoplasmic delivery of nucleotides. Previously, PepFect6 (PF6) comprised chloroquine analog moieties and a stearylated cell‐penetrating peptide to facilitate endosomal escape and cellular uptake, respectively, was developed as a device for efficient siRNA delivery. As PF6 contains bulky chloroquine analog moieties, the polyplexes are expected to be loose structure, which facilitates decondensation. In the present study, siRNA was electrostatically condensed by PF6, and the PF6/siRNA complexes were coated with lipid membranes. The surface of the nanoparticles encapsulating the PF6/siRNA core (PF6‐NP) was modified with PF6 for endosomal escape (PF6/PF6‐NP). The RNAi effect of PF6/PF6‐NP was compared with those of stearylated cell‐penetrating peptide octaarginine (R8)‐modified PF6‐NP, R8‐modified nanoparticles encapsulating the R8/siRNA core (R8‐NP) and PF6‐modified R8‐NP. Nanoparticles encapsulating the PF6 polyplex, especially PF/PF‐NP, showed a significant knockdown effect on luciferase activity of B16‐F1 cells stably expressing luciferase. siRNA was widely distributed within the cytoplasm after transfection of the nanoparticles encapsulating the PF6 polyplex, while siRNA encapsulated in the R8‐presenting nanoparticles was localized within the nuclei. Thus, the siRNA distribution was dependent on the manner of peptide‐modification. In conclusion, we have successfully developed PF6/PF6‐NP exhibiting a potent RNAi effect resulting from high cellular uptake, efficient endosomal escape and decondensation of the polyplexes based on the multifunctional cell penetrating peptide PF6. PF6 is therefore a useful pluripotential device for siRNA delivery. © 2013 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 100: 698–704, 2013.
One‐Pot Multifunctional Catalysis with NNN‐Pincer Zr‐MOF: Zr Base Catalyzed Condensation with Rh‐Catalyzed Hydrogenation
Authors: Rasero‐Almansa Antonia M. , Corma Avelino , Iglesias Marta , Sánchez Félix
Published: July 2013

We describe the postsynthetic modification of Zr‐based metal organic frameworks (MOFs) containing chiral NNN‐pincer ligands based on aminopyridineimines, as well as the subsequent formation of (NNN)‐M‐Zr‐MOF complexes (M=Rh, Ir). With these new multifunctional materials, we performed a cascade of condensation reactions followed by hydrogenation of the resulting double bond. If the condensation reaction occurs between an aldehyde and ethyl nitroacetate, (NNN)–M–Zr‐MOF complexes catalyze the one‐pot synthesis of nitroalkenes, in which ZrIV Lewis sites play a role similar to that of the generally used TiIV in homogeneous catalysis. These multifunctional hybrid catalysts retain their crystalline framework even after the reaction, and they were isolated easily from the reaction mixture through filtration and reused several times without a significant degradation in activity. Moreover, there was no contribution from leached active species and conversion was possible only in the presence of the solid catalyst.
Metal‐Free Polymerization of Phenylsilane: Tris(pentafluorophenyl)borane‐Catalyzed Synthesis of Branched Polysilanes at Elevated Temperatures
Authors: Feigl Andreas , Chiorescu Ion , Deller Katrin , Heidsieck Sven U. H. , Buchner Magnus R. , Karttunen Virve , Bockholt Andreas , Genest Alexander , Rösch Notker , Rieger Bernhard
Published: July 2013

The strong organoborane Lewis acid B(C6F5)3 catalyzes the polymerization of phenylsilane at elevated temperatures forming benzene and SiH4 as side‐products. The resulting polymer is a branched polysilane with an irregular substitution pattern, as revealed by 2D NMR spectroscopy. Having explored the mechanism of this novel metal‐free polymerization by computational chemistry methods at the DFT level, we have suggested that unusual cationic active species, namely monomer‐stabilized silyl cations, propagate the polymerization. Hydride abstraction of SiH3 moiety by the catalyst in the initiation step was found to be kinetically preferred by around 9 kcal mol−1 over activation by coordination of the monomer at the aromatic ring. The formation of linear SiSi bonds during propagation was calculated to be less favorable than branching and ligand scrambling, which accounts for the branched and highly substituted form of the polymer that was obtained. This novel type of polymerization bears the potential for further optimization with respect to degree of polymerization and structure control for both primary as well as secondary silanes, which can be polymerized by sterically less hindered boranes.
Polynitroethyl‐ and Fluorodinitroethyl Substituted Boron Esters
Authors: Klapötke Thomas M. , Krumm Burkhard , Moll Richard
Published: July 2013

The reaction of boron oxide with various nitro‐substituted ethanols (2‐nitroethanol, 2‐fluoro‐2,2‐dinitroethanol, 2,2,2‐trinitroethanol) furnished the corresponding nitroethyl borates B(OCH2CH2NO2)3 (1), B(OCH2CF(NO2)2)3 (2), and B(OCH2C(NO2)3)3 (3). Fluorination of the anion [(NO2)2CCH2OH]− (4) resulted in 2‐fluoro‐2,2‐dinitroethanol (5), a precursor for 2, and was thoroughly characterized. An interesting condensation was observed with the anion 4 to form the unusual dianion [(NO2)2CCH2C(NO2)2]2− (6). All compounds were fully characterized by multinuclear NMR spectroscopy, vibrational spectroscopy (IR, Raman), mass spectrometry and elemental analysis. The chemical, physical and energetic properties of 1–3 and 5 are reported, as well as quantum chemical calculations at the CBS‐4M level of theory to predict the enthalpies and energies of formation. X‐ray diffraction studies were performed, and the crystal structures for compounds 1–6 were determined and discussed thoroughly. The boron esters 1–3 are of interest as possible candidates for smoke‐free, green colorants in pyrotechnic applications, and in case of 2 and 3 also as promising high energy oxidizers.
Structure‐Activity Relationship, Cytotoxicity and Mode of Action of 2‐Ester‐substituted 1,5‐Benzothiazepines as Potent Antifungal Agents
Authors: Kang Wang , Du Xingqiong , Wang Lanzhi , Hu Lijuan , Dong Yuhuan , Bian Yanqing , Li Yuan
Published: July 2013

Our studies examined the structural features responsible for the antifungal activity of 2‐ethoxycarbonyl‐1,5‐benzothiazepine (7a). Three series of 1,5‐benzothiazepine derivatives were synthesized and screened for their antifungal activity. The results suggested that the ethoxycarbonyl group at the 2 position and the imine moiety on the seven‐membered ring are essential for activity. The most potent of the synthesized analogues (7a, 7b) were further studied by evaluating their cytotoxicity and mode of action (for 7a). The results showed that compounds 7a and 7b were relatively safe for BV2 cells, but compound 7a interfered with Cryptococcus neoformans cell wall integrity by increasing the chitinase activity. Therefore, compound 7a was considered safe as an antifungal agent for animal cells.
Evaluation of the HIRLAM and HARMONIE Numerical Weather Prediction Models during an Air Pollution Episode over Greater İstanbul Area
Authors: Toros Hüseyin , Geertsema Gertie , Cats Gerard
Published: July 2013

We have evaluated the performance of operational versions of the numerical weather prediction (NWP) model HIRLAM and HARMONIE in severe air pollution atmospheric conditions in İstanbul in November 18–20 of 2009. During the episode, a high pressure system over northwest Turkey, including İstanbul, lead to the formation of an exceptional ground‐based temperature inversion. The forecasts generated by HIRLAM and HARMONIE models were compared to observations at meteorological stations in the area. Both HIRLAM and HARMONIE 24 h's forecasts are successful to predict possible episode conditions due to meteorological circumstances, and thus both models provide reliable weather input to an air pollution warning system. Results of this study are important especially for those involved in NWP, in air pollution modeling and decision‐making where high resolution NWP model outputs are becoming a valuable product.
Estimation of Arsenic Toxicity by Analysis of Certain Marker Enzymes of the Air‐Breathing Catfish Clarias batrachus (Linn.)
Authors: Kumar Randhir , Banerjee Tarun Kumar
Published: July 2013

In this investigation, Clarias batrachus was exposed to sublethal concentration of sodium arsenite (1 mg/L; 5% of LC50 value) for 10, 30, 45, and 60 days. Activities of several enzymes (alkaline phosphatase (ALP), alanine transaminase (ALT), aspartate transaminase (AST), glucose‐6‐phosphate dehydrogenase (G‐6‐PDH), lipid peroxidase (LPO)) and antioxidant enzymes (reduced glutathione (GSH), superoxide dismutase (SOD) and catalase (CAT)) were monitored in the serum, liver, and muscular tissues. Our results showed a significant increase in the activities of ALP, ALT, AST, and LPO after prolonged exposure of 60 days. Significant decrease in the activities of G‐6‐PDH, GSH, SOD, and CAT were simultaneously detected after 60 days of exposure. Total protein contents and ‐SH moieties also decreased significantly after 60 days. Estimation of the activities of these enzymes suggested the severe harmful effect of the trivalent arsenic salt, responsible for tissue damages in the C. batrachus during biochemical analyses.
Water and Soil Conservation from the Perspective of Stakeholders: Evidence from China and Policy Implications
Authors: Qi Xinhua , Cheng Yu , Zhang Yaoqi , Xu Yecheng , Xu Linglin
Published: July 2013

Water and soil conservation is an important measure of ecological restoration in China. However, its success was elusive and often compromised the impoverished people who need to be protected most. Taking Changting County in southeast China as an empirical case, and within the framework of stakeholders, i.e. the government, the farmer, the business enterprise, and the non‐government organizations, this article explored the benefits to the multiple stakeholders in the progress of water and soil conservation. The results show that all stakeholders played various but important roles and their benefit changes from period to period. It was demonstrated that the different roles, pursuits for the ecological or economic benefits directly and largely drive and affect the consequence of water and soil conservation in Changting. The benefit and cost of multiple stakeholders should be identified in a meaningful way and balanced. It is important to improve the livelihoods of the farmer, in particular the impoverished farmer who are heavily dependent on the environment and most affected by the projects. This study demonstrates a new perspective for exploring the relationship between ecological restoration and poverty alleviation, and is conducive to understand the internal mechanisms and provides some general implications for similar areas in developing countries.
Electrochemical Treatment of Reactive Blue 52 Using Zirconium, Palladium and Graphite Electrode
Authors: Jović Milica , Manojlović Dragan , Stanković Dalibor , Marković Marijana , Anđelković Ivan , Papan Jelena , Roglić Goran
Published: July 2013

Electrochemical treatment is a new trend for the purification of textile industry wastewater which containing azo dyes. In this paper the electrochemical treatment was used for decolorization of azo dye Reactive Blue 52. The efficiency of decolorization was compared for different electrochemical systems which were all equipped with Fisher platinum electrode as anode and a different cathode (Zr, Pd, C) in sodium sulfate as supporting electrolyte. In order to find optimal conditions the influence of various voltage and pH values of initial dye solution was studied. Decolorization rate was monitored by spectrophotometer while degradation products were identified by high performance liquid chromatography‐diode array detector (HPLC‐DAD). Results of HPLC analysis confirmed presence of various degradation products in electrochemical systems, which indicated different mechanism of degradation. This was also confirmed by Ek–t curve. In terms of power consumption the most cost effective system was with the graphite cathode (C/Pt).
Strong Szegő Asymptotics and Zeros of the Zeta‐Function
Authors: Bourgade Paul , Kuan Jeffrey
Published: July 2013

Assuming the Riemann hypothesis, we prove the weak convergence of linear statistics of the zeros of the Riemann ζ‐function to a Gaussian field, with covariance structure corresponding to the H1/2‐norm of the test functions. For this purpose, we obtain an approximate form of the explicit formula, relying on Selberg's smoothed expression for ζ'/ζ and the Helffer‐Sjöstrand functional calculus. Our main result is an analogue of the strong Szegő theorem, known for Toeplitz operators and random matrix theory. © 2014 Wiley Periodicals, Inc.
Theoretical Study of Substituent Effects on the Gas‐Phase Acidities of Benzoic and Phenylacetic Acids
Authors: Nakata Kazuhide , Fujio Mizue , Nishimoto Kichisuke , Tsuno Yuho
Published: July 2013

The relative gas‐phase acidities of 25 ring‐substituted benzoic and phenylacetic acids were theoretically determined with proton‐transfer reactions. The energies and geometries of the acids and their corresponding anions, which were involved in the reactions, were calculated at the B3LYP/6‐311+G(2d,p) level of theory. The obtained substituent effects were compared with each other and those of phenols. The acidities of the benzoic and phenylacetic acids were governed by three kinds of electronic effects (inductive, resonance, and saturation effects), which confirmed that the acidities were reflected in the nature of the benzoate and phenylacetate anions, respectively. Substituent effect analyses with an extended Yukawa–Tsuno equation, ${ - {\rm{\Delta }}E_X = \rho \left( {\sigma ^0 + r^ - {\rm{\Delta }}\bar \sigma _{\rm{R}}^ - + s{\rm{\Delta }}\bar \sigma _{\rm{S}} } \right)}$, gave excellent linear correlations for both anionic systems. The degrees of through‐resonance and saturation effects in the phenylacetate anion, as reflected by the resultant r− and s values, were unexpectedly larger than those in the benzoate anion, which were mainly attributed to hyperconjugation and through‐space interactions between the anionic moiety and the benzene π‐electron system, respectively. The acidities of the benzoic acids (or stabilities of the benzoate anions) constituted a better system than the acidities of phenylacetic acids (or stabilities of the phenylacetate anions) for a standard of the normal substituent constants (σ0) for anions in the gas phase, in contrast to solution‐phase results.
Synchronization of circular restricted three body problem with lorenz hyper chaotic system using a robust adaptive sliding mode controller
Authors: Khan Ayub , Shahzad Mohammad
Published: July 2013

In this computational study, we synchronize the Circular Restricted Three Body Problem (CRTBP) with Lorenz Hyper Chaotic System (LHCS) using a Robust Adaptive Sliding Mode Controller (RASMC) together with uncertainties, external disturbances and fully unknown parameters. A simple suitable sliding surface, which includes synchronization errors, is constructed and appropriate update laws are used to tackle the uncertainties, external disturbances and unknown parameters. All simulations to achieve the synchronization for the implemented technique for the two non‐identical systems under consideration are being done using Mathematica. © 2013 Wiley Periodicals, Inc. Complexity 18: 58‐64, 2013
Hyalinizing clear cell carcinoma of the parotid gland: Report of a recurrent case with aggressive cytomorphology and behavior diagnosed on fine‐needle cytology sample
Authors: Fulciniti Franco , Pia Curcio Maria , Liguori Giuseppina , Aquino Gabriella , Botti Gerardo , Campanile Anna Cipolletta , De Cecio Rossella , Pavone Ettore , Aversa Corrado , Perri Francesco , Caponigro Francesco , Ionna Franco
Published: July 2013

A case of recurrent hyalinizing clear cell carcinoma (HCCC) of the parotid gland in a 46‐year‐old female is here introduced. The patient had undergone a left superficial parotidectomy 6 months ago in another institution for an alleged benign, circumscribed mass 2.4 cm in diameter of the left parotid gland. Histopathological examination revealed a poorly differentiated HCCC bearing a EWSR‐1 translocation on FISH examination. Fine Needle Cytology (FNC) was performed on three separate soft tissue masses in the pre‐masseterine area and a cytological diagnosis of recurrent, poorly differentiated, possibly aggressive variant of HCCC, was rendered. FISH performed on a destained Diff Quik stained smear demonstrated an ESWR‐1 translocation, which supported the cytopathological diagnosis. The cytomorphologic features and the differential diagnosis of this aggressive variant of HCCC are briefly discussed. Diagn. Cytopathol. 2014;42:63–68. © 2013 Wiley Periodicals, Inc.
Follicular lesion of undetermined significance in thyroid FNA revisited
Authors: Walts Ann E. , Mirocha James , Bose Shikha
Published: July 2013

Controversy exists regarding the validity of follicular lesion of undetermined significance (FLUS), an indeterminate diagnostic category of The Bethesda System for Reporting Thyroid Cytopathology (BSRTC). According to BSRTC, FLUS carries a 5–15% risk of cancer. This study was designed to determine if cytomorphology could stratify FLUS into subgroups with different risks of malignancy. Reports of 127 consecutive FNAs reported as FLUS with subsequent tissue diagnoses were evaluated for the presence of various cytologic features and the results were correlated with histological diagnoses. FLUS cases with focal nuclear atypia (nuclear overlap/crowding, nuclear grooves/membrane irregularities, nuclear enlargement, and/or nuclear pseudoinclusions) were more frequently malignant on excision whereas those with architectural atypia (microfollicles) were more often benign on excision (P < 0.05). The presence of any one or more of these nuclear features increased the risk of carcinoma in subsequent thyroid resection. Papillary carcinomas predominated in excised FLUS cases with focal nuclear atypia whereas most FLUS with architectural atypia were adenomas or hyperplastic nodules on histological evaluation. BSRTC recommends that thyroid aspirates containing follicular cell nuclear and/or architectural atypia insufficient for a diagnosis of suspicious for follicular neoplasm, suspicious for malignancy or malignant be classified as FLUS. Our findings indicate that FLUS cases with focal nuclear atypia carry a risk for malignancy that is substantially higher than that assigned to FLUS and are best classified as suspicious. FLUS cases lacking these atypical nuclear features have a risk for malignancy that approximates the risk BSRTC has assigned to FLUS. Diagn. Cytopathol. 2014;42:18–22. © 2013 Wiley Periodicals, Inc.
Identification of a Fossil Sterane Biomarker in Crude Oil – an Androstane with a Modified Carbon Skeleton
Authors: Bender Matthias , Schmidtmann Marc , Rullkötter Jürgen , Summons Roger E. , Christoffers Jens
Published: July 2013

Three constitutional isomers of androstane were prepared for comparison with three unknown fossil C19H32 organic biomarkers (“19A”, “19B”, and “19C” in elution order) in geological samples from Oman. 3β‐Methyl‐A‐nor‐androstane was prepared in six steps (8 % overall yield) from testosterone. The key steps of this sequence were an Eschenmoser fragmentation and recyclization of the A ring. A mixture of four stereoisomers of 3‐methyl‐A‐nor‐androstane (4 % overall yield) was prepared by ionic hydrogenation of the olefin after A‐ring recyclization in three steps. 17‐Methyl‐18‐nor‐androstane was synthesized in four steps as a mixture of isomers (58 % overall yield) from dihydrotestosterone with a Wagner–Meerwein shift of the 13β‐methyl group to C‐17 as the key step. Pure 17β‐ and 17α‐methyl‐18‐nor‐13α‐androstane (4 and 2 % overall yield, respectively) were obtained in three additional steps after α‐oxidation of the Wagner–Meerwein rearrangement product and subsequent reduction. The synthesis of 18‐nor‐D‐homo‐13β‐androstane (12 % yield over seven steps from dihydrotestosterone) involved oxidative cleavage of the C–C double bond in the Wagner–Meerwein rearrangement product from the previous synthesis and subsequent recyclization of the D ring followed by reduction. The relative configurations of all final products were confirmed by X‐ray crystallography. A comparison of the synthetic standards with the saturated hydrocarbon fraction of an Oman crude oil by gas chromatography (GC–MS) coinjection on three different GC columns and comparison of mass spectra revealed that unknown compound 19C is 18‐nor‐D‐homo‐13β,14α‐androstane, whereas the isomeric 3‐methyl‐A‐nor‐androstanes and 17‐methyl‐18‐nor‐androstanes elute close to 19A and 19B, respectively, but do not match the unknowns.
Pyruvate remediation of cell stress and genotoxicity induced by haloacetic acid drinking water disinfection by‐products
Authors: Dad Azra , Jeong Clara H. , Pals Justin A. , Wagner Elizabeth D. , Plewa Michael J.
Published: July 2013

Monohaloacetic acids (monoHAAs) are a major class of drinking water disinfection by‐products (DBPs) and are cytotoxic, genotoxic, mutagenic, and teratogenic. We propose a model of toxic action based on monoHAA‐mediated inhibition of glyceraldehyde‐3‐phosphate dehydrogenase (GAPDH) as a target cytosolic enzyme. This model predicts that GAPDH inhibition by the monoHAAs will lead to a severe reduction of cellular ATP levels and repress the generation of pyruvate. A loss of pyruvate will lead to mitochondrial stress and genomic DNA damage. We found a concentration‐dependent reduction of ATP in Chinese hamster ovary cells after monoHAA treatment. ATP reduction per pmol monoHAA followed the pattern of iodoacetic acid (IAA) > bromoacetic acid (BAA) >> chloroacetic acid (CAA), which is the pattern of potency observed with many toxicological endpoints. Exogenous supplementation with pyruvate enhanced ATP levels and attenuated monoHAA‐induced genomic DNA damage as measured with single cell gel electrophoresis. These data were highly correlated with the SN2 alkylating potentials of the monoHAAs and with the induction of toxicity. The results from this study strongly support the hypothesis that GAPDH inhibition and the possible subsequent generation of reactive oxygen species is linked with the cytotoxicity, genotoxicity, teratogenicity, and neurotoxicity of these DBPs. Environ. Mol. Mutagen. 54:629–637, 2013. © 2013 Wiley Periodicals, Inc.
Prediction of noncovalent Drug/DNA interaction using computational docking models: Studies with over 1350 launched drugs
Authors: Snyder Ronald D. , Holt Patrick A. , Maguire Jon M. , Trent John O.
Published: July 2013

Noncovalent chemical/DNA interactions, for example, intercalation and groove‐binding, may be more important to genomic integrity than previously appreciated, and there may very well be genotoxic consequences of that binding. It is of importance, then, to develop methods allowing a determination or prediction of such interactions. This would have particular utility in the pharmaceutical industry where genotoxicity is, for the most part, disallowed in new drug entities. We have previously used DNA docking simulations to assess if molecules had structure and charge characteristics which could accommodate noncovalent binding via, for example, electrostatic/hydrogen bonding. We here extend those earlier studies by examining a series of over 1,350 “launched” drugs for ability to noncovalently bind 10 different DNA sequences using two computational programs: Autodock and Surflex. These drugs were also evaluated for binding to the crystallographic ATP‐binding site of human topoisomerase II. The results obtained clearly demonstrate multiple series of noncovalent DNA binding structure activity relationships which would not have been predicted based on cursory structural examination. Many drugs within these series are genotoxic although not via any commonly recognized structural covalent alerts. The present studies confirm previously implicated features such as N‐dialkyl groups and specific N‐aryl ketones as potential genotoxic chemical moieties acting through noncovalent mechanisms. These initial studies provide considerable evidence that DNA intercalation may be an important, largely overlooked, source of drug‐induced genotoxicity and further suggest involvement of topoisomerase in that genotoxicity. Environ. Mol. Mutagen. 54:668–681, 2013. © 2013 Wiley Periodicals, Inc.
Thermodynamic Analysis of an Integrated SOFC, Solar ORC and Absorption Chiller for Tri‐generation Applications
Authors: Ozcan H. , Dincer I.
Published: July 2013

Thermodynamic performance assessment of an integrated tri‐generation energy system for power, heating and cooling production is conducted through energy and exergy analyses. Sustainability assessment is performed and some parametric studies are undertaken to analyze the impact of system parameters and environmental conditions on the system performance. The tri–generation system consists of (a) an internal reforming tubular type solid oxide fuel cell (IR‐SOFC), which works at ambient pressure and fueled with syngas, (b) a combustor and a air heat exchanger, (c) a heat recovery and steam generation unit (HRSG), (d) a two‐ stage Organic Rankine cycle (ORC) driven by exhaust gases of SOFC, (e) parabolic trough solar collectors (PTSC), and (f) a lithium‐bromide absorption chiller (AC) cycle driven by exhaust gases from SOFC unit. The largest irreversibility occurs at the SOFC unit due to high temperature requirement for reactions. Fuel utilization factor, recirculation ratio, dead state conditions, and solar unit parameters have influential effects on the system efficiencies. Energy and exergy efficiencies of tri‐generation unit become 85.1% and 32.62%, respectively, for optimum SOFC stack and environmental conditions. The overall system energy and exergy efficiencies are 56.25% and 15.44% higher than that of conventional SOFC systems, respectively.
Oxygen Isotope Transport Properties of Yttria‐Stabilized Zirconia (YSZ) in O2‐ and H2O‐Containing Atmospheres
Authors: Pietrowski M. J. , De Souza R. A. , Fartmann M. , ter Veen R. , Martin M.
Published: July 2013

Oxygen isotope exchange experiments, H218O/H216O (”wet” anneals) and 18O2/16O2 (”dry” anneals), were performed on single crystal samples of yttria‐stabilized zirconia (YSZ) at a temperature of T = 1073 K with subsequent determination of the oxygen isotope profiles in the solid by time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS). Such experiments yielded oxygen tracer diffusion coefficients (D*) and oxygen tracer surface exchange coefficients (k*), from both the polished (smooth) and unpolished (rough) sides of single crystal samples, as a function of water partial pressure pH2O and oxygen partial pressure pO2. Isothermal values of D* were found to depend on neither pO2 nor pH2O (nor surface roughness). Isothermal values of k*, in contrast, displayed a strong dependence on pO2 or pH2O; k*wet was, in addition, 2–3 orders of magnitude higher than k*dry. Surprisingly, surface roughness had little effect on k*wet, whereas rough surfaces exhibited much higher k*dry values than smooth surfaces. Data for k*wet obtained as a function of temperature at pH2O = 18 mbar show a change in activation enthalpy at T ≈ 973 K. The behavior of k* is discussed in terms of surface composition, surface area and surface reaction mechanisms.
Clonal evolution in chronic lymphocytic leukemia: Analysis of correlations with IGHV mutational status, NOTCH1 mutations and clinical significance
Authors: López Cristina , Delgado Julio , Costa Dolors , Villamor Neus , Navarro Alba , Cazorla Maite , Gómez Cándida , Arias Amparo , Muñoz Concha , Cabezas Sandra , Baumann Tycho , Rozman María , Aymerich Marta , Colomer Dolors , Pereira Arturo , Cobo Francesc , López‐Guillermo Armando , Campo Elías , Carrió Ana
Published: July 2013

Chronic lymphocytic leukemia (CLL) is a lymphoproliferative disorder characterized with highly variable clinical course. The most common chromosomal abnormalities in CLL, using conventional and molecular cytogenetics, are trisomy 12, del(13)(q14), del(11)(q22–23), del(17)(p13), and del(6)(q21). Whereas the prognostic marker such as IGHV mutational status remains stable during course of the diseases, chromosomal aberrations may be acquired over time. The aim of this study was to determine the incidence, and biological significance of clonal evolution (CE) using conventional and molecular cytogenetics and its relationship with prognostic markers such as CD38, ZAP70, and the mutational status of IGHV and NOTCH1. One hundred and forty‐three untreated CLL patients were included in the study. The median time interval between analyses was 32 months (range 6–156 months). Forty‐seven patients (33%) had CE as evidenced by detection of new cytogenetic abnormalities during follow‐up. CE was not correlated with high expression of ZAP70, unmutated IGHV genes or NOTCH1 mutations. Multivariate analysis revealed that CE and IGHV mutation status had a significant impact on TFS. The combination of conventional and molecular cytogenetics increased the detection of CE, this phenomenon probably being a reflection of genomic instability and conferring a more aggressive clinical course. © 2013 Wiley Periodicals, Inc.
Comprehensive plate models for the thermal evolution of oceanic lithosphere
Authors: Grose Christopher J. , Afonso Juan Carlos
Published: July 2013

Seafloor spreading and the cooling of oceanic lithosphere is a fundamental feature of plate tectonics in the Earth, the details of which are unveiled by modeling with constraints from mineral physics and geophysical observations. To work toward a more complete model of the thermal evolution of oceanic lithosphere, we investigate the contributions of axial hydrothermal circulation, oceanic crust, and temperature‐pressure‐dependent thermal properties. We find that models with only temperature‐dependent properties disagree with geophysical observations unless properties are artificially modified. On the other hand, more comprehensive models are in better agreement with geophysical observations. Our preferred model requires a thermal expansivity reduction of 15% from a mineral physics estimate, and predicts a plate thickness of about 110–130 km. A principal result of our analysis is that the oceanic crust is a major contributor to the cooling of oceanic lithosphere. The oceanic crust acts as an insulating lid on the mantle, causing the rate of lithospheric cooling to increase from “crustal” values near the ridge to higher mantle values at old‐age. Major consequences of this insulation effect are: (a) low seafloor subsidence rate in proximity to ridge axes (<5 Ma), (b) the thermal structure of oceanic lithosphere is significantly warmer than previous models, (c) seafloor heat flow is significantly lower over young (<35 Ma) seafloor compared to simple models, (d) a low net seafloor heat flux (∼27 TW), and (e) temperature at the base of the seismogenic zone extends to 700–800°C mantle.
A Social Network Approach to Peer Assessment: Improving Predictive Validity
Authors: Luria Gil , Kalish Yuval
Published: July 2013

Our premise is that the simple measure used in peer assessment (i.e., number of peer nominations) does not capture the complexity of social information processing and therefore has limited predictive validity. Based on indicators derived from social network analysis and social information processing theories, we suggest new measures (nominations‐by‐nominees and nominations‐not‐returned) to enhance the predictive validity of peer assessment. We then compare the validity of existing measures with ours, using a longitudinal sample of 249 soldiers, divided into 18 groups. The soldiers first assessed each other on friendly behavior and instrumental contribution to the team. More than six months later, the commanders of the 132 soldiers in the unit under review provided evaluations of their performance in regard to stress, engagement, and leadership. We found that our new, complex measures predicted performance above and beyond the traditional measure. Theoretical and applied implications are discussed.
Bridging the Gap between Research and Practice in Organizational Network Analysis: A Conversation between Rob Cross and Martin Kilduff
Authors: Cross Rob , Kaše Robert , Kilduff Martin , King Zella
Published: July 2013

The article features a conversation between Rob Cross and Martin Kilduff about organizational network analysis in research and practice. It demonstrates the value of using social network perspectives in HRM. Drawing on the discussion about managing personal networks; managing the networks of others; the impact of social networking sites on perceptions of relationships; and ethical issues in organizational network analysis, we propose specific suggestions to bring social network perspectives closer to HRM researchers and practitioners and rebalance our attention to people and to their relationships.