bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pseudilins: Halogenated, Allosteric Inhibitors of the Non‐Mevalonate Pathway Enzyme IspD
Authors: Kunfermann Andrea , Witschel Matthias , Illarionov Boris , Martin René , Rottmann Matthias , Höffken H. Wolfgang , Seet Michael , Eisenreich Wolfgang , Knölker Hans‐Joachim , Fischer Markus , Bacher Adelbert , Groll Michael , Diederich François 
Published: January 2014

AbstractThe enzymes of the non‐mevalonate pathway for isoprenoid biosynthesis have been identified as attractive targets with novel modes of action for the development of herbicides for crop protection and agents against infectious diseases. This pathway is present in many pathogenic organisms and plants, but absent in mammals. By using high‐throughput screening, we identified highly halogenated marine natural products, the pseudilins, to be inhibitors of the third enzyme, IspD, in the pathway. Their activity against the IspD enzymes from Arabidopsis thaliana and Plasmodium vivax was determined in photometric and NMR‐based assays. Cocrystal structures revealed that pseudilins bind to an allosteric pocket by using both divalent metal ion coordination and halogen bonding. The allosteric mode of action for preventing cosubstrate (CTP) binding at the active site was elucidated. Pseudilins show herbicidal activity in plant assays and antiplasmodial activity in cell‐based assays.
Detecting and interpreting clusters of economic activity in rural areas using scan statistic and LISA under a unified framework
Authors: Bersimis S. , Chalkias C. , Anthopoulou T. 
Published: January 2014

AbstractThe primary aim of this paper is to expose the use and the value of spatial statistical analysis in business and especially in designing economic policies in rural areas. Specifically, we aim to present under a unified framework, the use of both point and area‐based methods, in order to analyze in‐depth economic data, as well as, to drive conclusions through interpreting the analysis results. The motivating problem is related to the establishment of women‐run enterprises in a rural area of Greece. Moreover, in this article, the spatial scan statistic is successfully applied to the spatial economic data at hand, in order to detect possible clusters of small women‐run enterprises in a rural mountainous and disadvantaged region of Greece. Then, it is combined with Geographical Information System based on Local Indicator of Spatial Autocorrelation scan statistic for further exploring and interpreting the spatial patterns. The rejection of the random establishment of women‐run enterprises and the interpretation of the clustering patterns are deemed necessary, in order to assist government in designing policies for rural development. Copyright © 2014 John Wiley & Sons, Ltd.
Statistical learning for variable annuity policyholder withdrawal behavior
Authors: Zhu Zhe , Welsch Roy E. 
Published: January 2014

AbstractThe variable annuity product has many desirable features for retirement saving purposes, such as stock‐linked growth potential, protection against losses in the investment, and guarantees of minimum payout amount at annuitization. Therefore, it is of great interest to study this product for designing next generation retirement solutions. Policyholder behavior is one of the most important profit or loss factors for the variable annuity product, and insurance companies generally do not have sophisticated models at the current time. This paper will discuss a new approach using modern statistical learning techniques to model policyholder withdrawal behavior with promising results. Copyright © 2014 John Wiley & Sons, Ltd.
Comparison of monovalent and divalent ion distributions around a DNA duplex with molecular dynamics simulation and a Poisson‐Boltzmann approach
Authors: Robbins Timothy J. , Ziebarth Jesse D. , Wang Yongmei 
Published: January 2014

ABSTRACTThe ion atmosphere created by monovalent (Na+) or divalent (Mg2+) cations surrounding a B‐form DNA duplex were examined using atomistic molecular dynamics (MD) simulations and the nonlinear Poisson‐Boltzmann (PB) equation. The ion distributions predicted by the two methods were compared using plots of radial and two‐dimensional cation concentrations and by calculating the total number of cations and net solution charge surrounding the DNA. Na+ ion distributions near the DNA were more diffuse in PB calculations than in corresponding MD simulations, with PB calculations predicting lower concentrations near DNA groove sites and phosphate groups and a higher concentration in the region between these locations. Other than this difference, the Na+ distributions generated by the two methods largely agreed, as both predicted similar locations of high Na+ concentration and nearly identical values of the number of cations and the net solution charge at all distances from the DNA. In contrast, there was greater disagreement between the two methods for Mg2+ cation concentration profiles, as both the locations and magnitudes of peaks in Mg2+ concentration were different. Despite experimental and simulation observations that Mg2+ typically maintains its first solvation shell when interacting with nucleic acids, modeling Mg2+ as an unsolvated ion during PB calculations improved the agreement of the Mg2+ ion atmosphere predicted by the two methods and allowed for values of the number of bound ions and net solution charge surrounding the DNA from PB calculations that approached the values observed in MD simulations. © 2014 Wiley Periodicals, Inc. Biopolymers 101: 834–848, 2014.
Curriculum and course materials for a forensic DNA biology course
Authors: Elkins Kelly M. 
Published: January 2014

AbstractThe Forensic Science Education Programs Accreditation Commission (FEPAC) requires accredited programs offer a “coherent curriculum” to ensure each student gains a “thorough grounding of the natural…sciences.” Part of this curriculum includes completion of a minimum of 15 semester‐hours forensic science coursework, nine of which can involve a class in forensic DNA biology. Departments that have obtained or are pursuing FEPAC accreditation can meet this requirement by offering a stand‐alone forensic DNA biology course; however, materials necessary to instruct students are often homegrown and not standardized; in addition, until recently, the community lacked commercially available books, lab manuals, and teaching materials, and many of the best pedagogical resources were scattered across various peer‐reviewed journals. The curriculum discussed below is an attempt to synthesize this disparate information, and although certainly not the only acceptable methodology, the below discussion represents “a way” for synthesizing and aggregating this information into a cohesive, comprehensive whole. © 2013 by The International Union of Biochemistry and Molecular Biology, 42(1):15–28, 2014
FunctionalMRImapping of visual function and selective attention for performance assessment and presurgical planning using conjunctive visual search
Authors: Parker Jason G. , Zalusky Eric J. , Kirbas Cemil 
Published: January 2014

AbstractBackgroundAccurate mapping of visual function and selective attention usingfMRIis important in the study of human performance as well as in presurgical treatment planning of lesions in or near visual centers of the brain. Conjunctive visual search (CVS) is a useful tool for mapping visual function duringfMRIbecause of its greater activation extent compared with high‐capacity parallel search processes.AimsThe purpose of this work was to develop and evaluate aCVSthat was capable of generating consistent activation in the basic and higher level visual areas of the brain by using a high number of distractors as well as an optimized contrast condition.Materials and methodsImages from 10 healthy volunteers were analyzed and brain regions of greatest activation and deactivation were determined using a nonbiased decomposition of the results at the hemisphere, lobe, and gyrus levels. The results were quantified in terms of activation and deactivation extent and meanz‐statistic.ResultsThe proposedCVSwas found to generate robust activation of the occipital lobe, as well as regions in the middle frontal gyrus associated with coordinating eye movements and in regions of the insula associated with task‐level control and focal attention. As expected, the task demonstrated deactivation patterns commonly implicated in the default‐mode network. Further deactivation was noted in the posterior region of the cerebellum, most likely associated with the formation of optimal search strategy.ConclusionWe believe the task will be useful in studies of visual and selective attention in the neuroscience community as well as in mapping visual function in clinicalfMRI.
Silibinin inhibits accumulation of myeloid‐derived suppressor cells and tumor growth of murine breast cancer
Authors: Forghani Parvin , Khorramizadeh Mohammad R. , Waller Edmund K. 
Published: January 2014

AbstractMyeloid‐derived suppressor cells (MDSC)s increase in blood and accumulate in the tumor microenvironment of tumor‐bearing animals, contributing to immune suppression in cancer. Silibinin, a natural flavonoid from the seeds of milk thistle, has been developed as an anti‐inflammatory agent and supportive care agent to reduce the toxicity of cancer chemotherapy. The goals of this study were to evaluate the effect of silibinin on MDSCs in tumor‐bearing mice and antitumor activity of silibinin in a mouse model of breast cancer. 4T1 luciferase‐transfected mammary carcinoma cells were injected into in the mammary fat pad female BALB/c mice, and female CB17‐Prkdc Scid/J mice. Silibinin treatment started on day 4 or day 14 after tumor inoculation continued every other day. Tumor growth was monitored by bioluminescent imaging (BLI) measuring total photon flux. Flow cytometry measured total leukocytes, CD11b+ Gr‐1+ MDSC, and T cells in the blood and tumors of tumor‐bearing mice. The effects of silibinin on 4T1 cell viability in vitro were measured by BLI. Treatment with silibinin increased overall survival in mice harboring tumors derived from the 4T1‐luciferase breast cancer cell line, and reduced tumor volumes and numbers of CD11b+Gr‐1+ MDSCs in the blood and tumor, and increased the content of T cells in the tumor microenvironment. Silibinin failed to inhibit tumor growth in immunocompromised severe combined immunodeficiency mice, supporting the hypothesis that anticancer effect of silibinin is immune‐mediated. The antitumor activity of silibinin requires an intact host immune system and is associated with decreased accumulation of blood and tumor‐associated MDSCs.
Father Identity, Involvement and Work–Family Balance: An In‐depth Interview Study
Authors: McLaughlin Katrina , Muldoon Orla 
Published: January 2014

ABSTRACTWork and family roles have changed considerably in the past number of decades. Fathers are now expected to fulfil the role of ‘new father’ that involves actively caring and sharing in child rearing and, at the same time, maintain commitment to their occupational role. As a consequence, men are subject to the same pressure that women were when they initially entered the workplace decades ago and indeed still are today. This study aims to explore the meanings fathers attach to their life roles, how these meanings influence behaviour within these roles and how they negotiate the demands of these roles. In‐depth interviews were carried out with 15 fathers, and the results were analysed adhering to the principles of grounded theory. The findings show the variability among fathers in both their commitment to fathering and the meanings they attach to that role. A significant tension between new fatherhood ideals and actual fathering practices is also apparent. These findings are discussed drawing upon traditional definitions of masculinity and wider occupational and cultural influences. Copyright © 2014 John Wiley & Sons, Ltd.
Isolation and Characterization of Antimicrobial Cyclic Dipeptides from Pseudomonas fluorescens and Their Efficacy on Sorghum Grain Mold Fungi
Authors: Sajeli Begum Ahil , Basha Shaik Ameer , Raghavendra Govardhanam , Kumar Mallela Venkata Nagesh , Singh Yukthi , Patil Jagannath V. , Tanemura Yuhei , Fujimoto Yoshinori 
Published: January 2014

AbstractThis study was aimed at isolation and characterization of natural antifungal compounds for grain mold, a key parasitic fungal disease of sorghum. Pseudomonas fluorescens strain isolated from rhizosphere of groundnut crop was selected as a source. Its biocontrolling ability was assessed by testing some biochemical attributes such as phosphate‐solubilization, and HCN, NH3, indole‐3‐acetic acid, and siderophore production. The strain showed positive result for all except indole‐3‐acetic acid, revealing its suitability for a further study. The antibiotic‐sensitivity pattern of the strain against 43 antibiotics was also established, which showed resistance to 15 antibiotics. The efficacy of P. fluorescens strain against grain mold was identified by dual culture technique. Hundred percent inhibition was found against Fusarium moniliforme, an important causative agent of this disease. The strain was fermented for secondary metabolites and extracted with AcOEt. Chromatographic separation of the extract yielded four known compounds, cyclo(L‐Pro‐L‐Phe) (1), cyclo(trans‐4‐hydroxy‐L‐Pro‐L‐Leu) (2), cyclo(trans‐4‐hydroxy‐L‐Pro‐L‐Phe) (3), and cyclo(Gly‐L‐Pro) (4), which were characterized by spectral analysis and optical rotation. The crude extract, a mixture of 2 and 3, and isolated 1 were proved to be significantly effective against grain mold fungi. This is the first report on production of these cyclic dipeptides by P. fluorescens and their antagonistic properties.
Novel Oxaliplatin Derivatives with 1‐(Substituted Benzyl)azetidine‐3,3‐dicarboxylate Anions. Synthesis, Cytotoxicity, and Interaction with DNA
Authors: Sun Yanyan , Cao Zhe , Gou Shaohua , Hu Tingting 
Published: January 2014

AbstractA series of oxaliplatin derivatives with (1R,2R)‐N1‐alkyl‐1,2‐cyclohexane‐1,2‐diamine (alkyl=Bu or iPr) as carrier ligands and 1‐(methoxy‐ or methyl‐substituted benzyl)azetidine‐3,3‐dicarboxylate anions as leaving groups were synthesized and spectrally characterized. Generally, Complexes 10–15 with an iPr substituent at N(1) showed higher activities in vitro than carboplatin against MCF‐7 human breast carcinoma and A549 human non‐small‐cell lung cell lines, although they were less potent than oxaliplatin. The typical complex 14 exhibited cytotoxicity superior to that of carboplatin and comparable to that of oxaliplatin against two selected tumor cell lines. Additionally, agarose gel electrophoresis was applied to investigate the DNA‐cleavage ability of complex 14, which demonstrated that it has a different mode of DNA distortion from that of oxaliplatin.
Chemical Composition and Biological Activities of Tunisian Cupressus arizonicaGreene Essential Oils
Authors: Ismail Amri , Mancini Emilia , De Martino Laura , Hamrouni Lamia , Hanana Mohsen , Jamoussi Bassem , Gargouri Samia , Scognamiglio Mariarosa , De Feo Vincenzo 
Published: January 2014

AbstractThe chemical composition of the essential oils obtained by hydrodistillation of leaves, stems, and female cones of Cupressus arizonica Greene, grown in Tunisia, was studied by GC‐FID and GC/MS analyses. Altogether, 62 compounds were identified, 62 in the leaf oil, 19 in the cone oil, and 24 in the stem oil. The cone and stem oils were mainly composed by monoterpene hydrocarbons (96.6 and 85.2%, resp.). In the leaf oil, the total sesquiterpene fraction constituted 36.1% and that of the monoterpene hydrocarbons 33.8% of the total oil composition. The three oils were evaluated for their in vitro herbicidal activity by determining their influence on the germination and the shoot and root growth of the four weed species Sinapis arvensis L., Lolium rigidum Gaudin, Trifolium campestre Schreb., and Phalaris canariensis L. At the highest doses tested (0.8 and 1.0 mg/ml), the leaf essential oil inhibited either totally or almost completely the seed germination and the shoot and root growth of S. arvensis and T. campestre. The oils were also tested for their antifungal activity; however, their effects on the fungal growth were statistically not significant.
Chemotype Diversity of Indigenous Dalmatian Sage (Salvia officinalis L.) Populations in Montenegro
Authors: Stešević Danijela , Ristić Mihailo , Nikolić Vuko , Nedović Marijana , Caković Danka , Šatović Zlatko 
Published: January 2014

AbstractTo identify how many chemotypes of Salvia officinalis exist in Montenegro, the chemical composition of the essential oils of 12 wild‐growing populations was determined by GC‐FID and GC/MS analyses. Among the 40 identified constituents, the most abundant were cis‐thujone (16.98–40.35%), camphor (12.75–35.37%), 1,8‐cineol (6.40–12.06%), trans‐thujone (1.5–10.35%), camphene (2.26–9.97%), borneol (0.97–8.81%), viridiflorol (3.46–7.8%), limonene (1.8–6.47%), α‐pinene (1.59–5.46%), and α‐humulene (1.77–5.02%). The composition of the essential oils under study did not meet the ISO 9909 requirements, while the oils of populations P02–P04, P09, and P10 complied with the German Drug Codex. A few of the main essential‐oil constituents appeared to be highly intercorrelated. Strong positive correlations were observed between α‐pinene and camphene, camphene and camphor, as well as between cis‐thujone and trans‐thujone. Strong negative correlations were evidenced between cis‐thujone and α‐pinene, cis‐thujone and champhene, cis‐thujone and camphor, as well as between trans‐thujone and camphene. Multivariate analyses allowed the grouping of the populations into three distinct chemotypes, i.e., Chemotype A, rich in total thujones, Chemotype B, with intermediate contents of thujones, α‐pinene, camphene, and camphor and high borneol contents, and Chemotype C, rich in camphor, camphene, and α‐pinene. The chemotypes did not significantly differ in the total essential‐oil content and the cis/trans‐thujone ratio.
Photoelectrochemical Communication between Thylakoid Membranes and Gold Electrodes through Different Quinone Derivatives
Authors: Hasan Kamrul , Dilgin Yusuf , Emek Sinan Cem , Tavahodi Mojtaba , Åkerlund Hans‐Erik , Albertsson Per‐Åke , Gorton Lo 
Published: January 2014

AbstractPhotosynthesis is a sustainable process for the conversion of light energy into chemical energy. Thylakoids in energy‐transducing photosynthetic membranes are unique in biological membranes because of their distinguished structure and composition. The quantum trapping efficiency of thylakoid membranes is appealing in photobioelectrochemical research. In this study, thylakoid membranes extracted from spinach are shown to communicate with a gold‐nanoparticle‐modified solid gold electrode (AuNP–Au) through a series of quinone derivatives. Among these, para‐benzoquinone (PBQ) is found to be the best soluble electron‐transfer mediator, generating the highest photocurrent of approximately 130 μA cm−2 from water oxidation under illumination. In addition, the photocurrent density is investigated as a function of applied potential, the effect of light intensity, quinone concentration, and amount of thylakoid membrane. Finally, the source of photocurrent is confirmed by using 3‐(3,4‐dichlorophenyl)‐1,1‐dimethylurea (known by its trade name, Diuron), an inhibitor of photosystem II, which decreases the total photocurrent by 50 %.
Role of the Lithium Salt in the Performance of Lithium–Oxygen Batteries: A Comparative Study
Authors: Elia Giuseppe Antonio , Park Jin‐Bum , Sun Yang‐Kook , Scrosati Bruno , Hassoun Jusef 
Published: January 2014

AbstractIn this paper we report a comparative study of the electrochemical properties of a lithium–oxygen cell using a tetraethylene glycol dimethyl ether (TEGDME)‐based electrolyte solution with four different lithium salts, namely, lithium‐bis‐(trifluormethanesulfonyl)‐imide, LiN(SO2CF3)2, lithium trifluoromethanesulfonate, LiCF3SO3, lithium perchlorate, LiClO4, and lithium hexafluorophosphate, LiPF6. This study evidences the role of the electrolyte salt in affecting the cell polarization as a reflection of its specific properties in terms of lithium transference number and interface resistance. LiCF3SO3 is finally identified as the best choice for assuring low cell polarization.
Highly Active Aluminium Catalysts for the Formation of Organic Carbonates from CO2 and Oxiranes
Authors: Whiteoak Christopher J. , Kielland Nicola , Laserna Victor , Castro‐Gómez Fernando , Martin Eddy , Escudero‐Adán Eduardo C. , Bo Carles , Kleij Arjan W. 
Published: January 2014

AbstractAlIII complexes of amino‐tris(phenolate) ligand scaffolds have been prepared to attain highly Lewis acidic catalysts. Combination of the aforementioned systems with ammonium halides provides highly active catalysts for the synthesis of organic carbonates through addition of carbon dioxide to oxiranes with initial turnover frequencies among the highest reported to date within the context of cyclic carbonate formation. Density functional theory (DFT) studies combined with kinetic data provides a rational for the relative high activity found for these AlIII complexes, and the data are consistent with a monometallic mechanism. The activity and versatility of these AlIII complexes has also been evaluated against some state‐of‐the‐art catalysts and the combined results compare favorably in terms of catalyst construction, stability, activity, and applicability.
Inline Particle Measurement System for Falling Bulk Solids
Authors: Schäfer Thomas , Ulbrich Roman , Rädle Matthias 
Published: January 2014

AbstractEs wird ein neues Messsystem vorgestellt, das speziell für die Inline‐Bestimmung von Partikelgrößenverteilungen in senkrechten Rohren konzipiert ist. Im Gegensatz zu bisherigen Messmethoden wurde das Gerät ausschließlich für die Prozesskontrolle entwickelt. Primärziel ist die schnelle Anzeige von Prozessabweichungen in der Industrie. Die Untersuchungen wurden an Produkten nach Klassierung durch eine Freischwinger‐Siebmaschine durchgeführt. In den hier dargestellten Experimenten werden ein Siebriss und die damit einhergehende Störung der Partikelgrößenverteilung realitätsnah simuliert.
Lehrpläne, Kerncurricula, Bildungspläne usw.
Authors: Ropohl Mathias , Sumfleth Elke , Walpuski Maik 
Published: January 2014

AbstractIn diesem Beitrag werden die Ergebnisse einer im Schuljahr 2007/08 durchgeführten Lehrplananalyse präsentiert. Das Ziel dieser Analyse war die Identifizierung von Unterrichtsinhalten der Sekundarstufe I im Fach Chemie zum Basiskonzept ‚Chemische Reaktion‘, die in allen Bundesländern verbindlich unterrichtet werden. Die daraus resultierende Schnittmenge an Inhalten war Ausgangspunkt einer standardbasierten Testaufgabenentwicklung. Mit Hilfe der Testaufgaben sollen die Kompetenzen von Schülerinnen und Schülern zum Basiskonzept beim Erreichen des mittleren Schulabschlusses erhoben werden. Die Ergebnisse geben einen Einblick in die Fülle und Unterschiedlichkeit curricularer Vorgaben durch die Bundesländer. Daher stellt sich die Frage: Gibt es zwischen den Lehrplänen der Bundesländer grundsätzlich inhaltliche Schnittmengen?