bluuebunny/crossref_metadata_2025 huggingface dataset:
Biophysical analysis of the interaction of the serum protein human β2GPI with bacterial lipopolysaccharide
Authors: Gries Anna , Prassl Ruth , Fukuoka Satoshi , Rössle Manfred , Kaconis Yani , Heinbockel Lena , Gutsmann Thomas , Brandenburg Klaus
Published: May 2014

There are several human serum proteins for which no clear role is yet known. Among these is the abundant serum protein beta2‐glycoprotein‐I (β2GPI), which is known to bind to negatively charged phospholipids as well as to bacterial lipopolysaccharides (LPS), and was therefore proposed to play a role in the immune response. To understand the details of these interactions, a biophysical analysis of the binding of β2GPI to LPS and phosphatidylserine (PS) was performed. The data indicate only a moderate tendency of the protein (1) to influence the LPS‐induced cytokine production in vitro, (2) to react exothermally with LPS in a non‐saturable way, and (3) to change its local microenvironment upon LPS association. Additionally, we found that the protein binds more strongly to phosphatidylserine (PS) than to LPS. Furthermore, β2GPI converts the LPS bilayer aggregates into a stronger multilamellar form, and reduces the fluidity of the hydrocarbon moiety of LPS due to a rigidification of the acyl chains. From these data it can be concluded that β2GPI plays a role as an immune‐modulating agent, but there is much less evidence for a role in immune defense against bacterial toxins such as LPS.
The levels of RAC3 expression are up regulated by TNF in the inflammatory response
Authors: Alvarado Cecilia Viviana , Rubio María Fernanda , Fernández Larrosa Pablo Nicolas , Panelo Laura Carolina , Azurmendi Pablo Javier , Ruiz Grecco Marina , Martínez-Nöel Giselle Astrid , Costas Mónica Alejandra
Published: May 2014

RAC3 is a coactivator of glucocorticoid receptor and nuclear factor‐κB (NF‐κB) that is usually over‐expressed in tumors and which also has important functions in the immune system. We investigated the role of the inflammatory response in the control of RAC3 expression levels in vivo and in vitro. We found that inflammation regulates RAC3 levels. In mice, sub‐lethal doses of lipopolysaccharide induce the increase of RAC3 in spleen and the administration of the synthetic anti‐inflammatory glucocorticoid dexamethasone has a similar effect. However, the simultaneous treatment with both stimuli is mutually antagonistic. In vitro stimulation of the HEK293 cell line with tumor necrosis factor (TNF), one of the cytokines induced by lipopolysaccharide, also increases the levels of RAC3 mRNA and protein, which correlates with an enhanced transcription dependent on the RAC3 gene promoter. We found that binding of the transcription factor NF‐κB to the RAC3 gene promoter could be responsible for these effects. Our results suggest that increase of RAC3 during the inflammatory response could be a molecular mechanism involved in the control of sensitivity to both pro‐ and anti‐inflammatory stimuli in order to maintain the normal healthy course of the immune response.
Small RNA expression and deep sequencing analyses of the nucleolus reveal the presence of nucleolus‐associated microRNAs
Authors: Bai Baoyan , Liu Hester , Laiho Marikki
Published: May 2014

Micro RNAs (miRNA) are non‐coding RNAs expressed in the cytoplasm as their mature, 21–22‐nucleotide short forms. More recently, mature miRNAs have also been detected in the nucleus, raising the possibility that their spatial distribution may be more complex than anticipated. Here we undertook comprehensive systematic analyses of miRNA distribution in several subcellular compartments of human cancer cells. In particular, we focused on the potential presence of miRNAs in the nucleolus, which contains an abundance of small non‐coding RNAs. We employed two miRNA expression array platforms and small RNA deep sequencing of small RNAs isolated from cells, nuclei, cytoplasm and the nucleoli. We developed an assay to compare RNAs of isolated nucleoli before and after denaturation and used Northern hybridization to verify the presence of miRNAs in the subcellular compartments. Consistently, we found more than 10 miRNAs associated with the nucleolar preparations. Several miRNAs had greater relative abundance in the nucleolus compared to the other compartments. The nucleolar presence of miRNAs was independent of Dicer and the main activity of the nucleolus, RNA polymerase I transcription, but was dependent on CRM1 previously associated with nucleolar trafficking of small nucleolar RNAs. These results highlight the complexity of miRNA spatial arrangement and regulation.
Benzylidene‐indolinones are effective as multi‐targeted kinase inhibitor therapeutics against hepatocellular carcinoma
Authors: Ho Han Kiat , Chua Boon Tin , Wong Winnie , Lim Kah Suan , Teo Vivian , Ong Hooi-Tin , Chen Xiao , Zhang Wei , Hui Kam M. , Go Mei Lin , Ullrich Axel
Published: May 2014

Effective pharmacological intervention of advanced hepatocellular carcinoma (HCC) is currently lacking. Despite the use of tyrosine kinase inhibitors (TKIs) for the targeted therapy of several malignancies, no agent has been developed to specifically interfere with the oncogenic tyrosine kinase signaling aberrations found in HCC. Therefore, we adopted an orthogonal biological phenotypic screening approach to uncover candidate compounds: based on a potent cytotoxicity toward HCC‐derived cell lines, and minimal toxicity toward normal liver cells. Given the success of indolinone as a chemical scaffold in deriving potent multi‐kinase inhibitors (e.g. sunitinib), we screened a group of newly synthesized benzylidene‐indolinones. Among the candidates, E/Z 6‐Chloro‐3‐(3‐trifluoromethyl‐benzyliden)‐1,3‐dihydroindol‐2‐one (compound 47) exhibited potent anti‐proliferative, anti‐migratory, pro‐apoptotic properties and good safety profile as compared to known multi‐targeted tyrosine kinase inhibitors sunitinib and sorafenib. Additionally, an accompanying suppression of alpha‐fetoprotein (AFP) transcription, an HCC tumor marker, implies a favorable selectivity and efficacy on HCC. The in vivo efficacy was demonstrated in an HCC xenograft where 47 was administered once weekly (60 mg/kg) and suppressed tumor burden to the same extent as sorafenib (30 mg/kg daily). A receptor tyrosine kinase (RTK) array study revealed promising inhibition of multiple tyrosine kinases such as IGF‐1R, Tyro3 and EphA2 phosphorylation. Gene silencing of these targets ameliorated the cytotoxic potential of 47 on the HuH7 cell line, thereby implicating their contribution to the tumorigenicity of HCC. Hence, 47 exhibits potent anti‐cancer effects on HCC cell lines, and is a suitable lead for developing multi‐targeted kinase inhibitors of relevance to HCC.
Acute hormonal response to glucose, lipids and arginine infusion in overweight cats
Authors: Martin Lucile J. M. , Lutz Thomas A. , Daumas Caroline , Bleis Philippe , Nguyen Patrick , Biourge Vincent , Dumon Henri J. W.
Published: May 2014

In cats, the incidence of obesity and diabetes is increasing, and little is known about specific aspects of the endocrine control of food intake in this species. Recent data suggest that ghrelin has an important role in the control of insulin secretion and vice versa, but this role has never been demonstrated in cats. Here we aimed to improve our understanding about the relationship between insulin, amylin and ghrelin secretion in response to a nutrient load in overweight cats. After a 16 h fast, weekly, six overweight male cats underwent randomly one of the four testing sessions: saline, glucose, arginine and TAG. All solutions were isoenergetic and isovolumic, and were injected intravenously as a bolus. Glucose, insulin, acylated ghrelin (AG), amylin and prolactin were assayed in plasma before and 10, 20, 40, 60, 80 and 100 min after the nutrient load. A linear mixed-effects model was used to assess the effect of bolus and time on the parameters. A parenteral bolus of glucose or arginine increased insulin and ghrelin concentrations in cats. Except for with the TAG bolus, no suppression of ghrelin was observed. The absence of AG suppression after the intravenous load of arginine and glucose may suggest: (1) that some nutrients do not promote satiation in overweight cats; or that (2) AG may be involved in non-homeostatic consumption mechanisms. However, the role of ghrelin in food reward remains to be assessed in cats.
Consuming foods with added oligofructose improves stool frequency: a randomised trial in healthy young adults
Authors: Dahl Wendy J. , Wright Arnelle R. , Specht Gretchen J. , Christman Mary , Mathews Anne , Meyer Diederick , Boileau Thomas , Willis Holly J. , Langkamp-Henken Bobbi
Published: May 2014

The impact of oligofructose (OF) intake on stool frequency has not been clearly substantiated, while significant gastrointestinal (GI) symptoms have been reported in some individuals. The aim of the present study was to determine the effects of OF on stool frequency and GI symptoms in healthy adults. In an 8-week, randomised, double-blind, parallel-arm study, ninety-eight participants were provided with 16 g OF in yogurt and snack bars (twenty male and thirty female) or matching control foods (seventeen male and thirty-one female), to incorporate, by replacement, into their usual diets. Participants completed a daily online questionnaire recording stool frequency and rating four symptoms: bloating, flatulence, abdominal cramping and noise, each on a Likert scale from ‘0’ for none (no symptoms) to ‘6’ for very severe, with a maximum symptom intensity score of 24 (sum of severities from all four symptoms). Online 24 h dietary recalls were completed during pre-baseline and weeks 4, 6 and 8 to determine fibre intake. When provided with OF foods, fibre intake increased to 24·3 (sem 0·5) g/d from pre-baseline (12·1 (sem 0·5) g/d; P < 0·001). Stool frequency increased with OF from 1·3 (sem 0·2) to 1·8 (sem 0·2) stools per d in males and 1·0 (sem 0·1) to 1·4 (sem 0·1) stools per d in females during intervention weeks compared with pre-baseline (P < 0·05),but did not change for control participants (males: 1·6 (sem 0·2) to 1·8 (sem 0·2); females: 1·3 (sem 0·1) to 1·4 (sem 0·1)). Flatulence was the most commonly reported symptom. Mean GI symptom intensity score was higher for the OF group (3·2 (sem 0·3)) v. control (1·7 (sem 0·1)) (P < 0·01), with few participants reporting above moderate symptoms. No change in symptom intensity occurred over time. Consuming yogurt and snack bars with 16 g OF improves regularity in young healthy adults. However, GI symptoms, resulting from an increase in oligofructose intake, may not diminish with time.
Provenance and rift basin architecture of the Neoproterozoic Hedmark Basin, South Norway inferred from U–Pb ages and Lu–Hf isotopes of conglomerate clasts and detrital zircons
Authors: LAMMINEN JARKKO , ANDERSEN TOM , NYSTUEN JOHAN PETTER
Published: May 2014

The Neoproterozoic Hedmark Basin in the Caledonides of South Norway was formed at the western margin of the continent Baltica by rifting 750–600 Ma ago. The margin was destroyed in the Caledonian Orogeny and sedimentary basins translated eastwards. This study uses provenance analysis to map the crustal architecture of the pre-Caledonian SW Baltican margin. Conglomerate clasts and sandstones were sampled from submarine fan, alluvial fan and terrestrial glacigenic sedimentary rocks. Samples were analysed for U–Pb isotopes and clast samples additionally for Lu–Hf isotopes. The clasts are mainly granitesc. 960 Ma and 1680 Ma old, coeval with the Sveconorwegian Orogeny and formation of the Palaeoproterozoic Transscandinavian Igneous Belt (TIB). Mesoproterozoic (Sveconorwegian) ages are abundant in the western part of the basin, whereas Palaeoproterozoic ages are common in the east. Lu–Hf isotopes support crustally contaminated source for all clasts linking them to Fennoscandia. Detrital zircon ages of the sandstones can be matched with those from the granitic clasts except for ages within the range 1200–1500 Ma. These ages are typically found in the present-day Telemark, SW Norway. The sandstones and conglomerate clasts in the western part of the Hedmark Basin were sourced from the Sveconorwegian domain in the present SW Norway or its continuation to the present-day NW. The conglomerate clasts in the eastern part of the Hedmark Basin were sourced mainly from the TIB domain or its northwesterly continuation. The Hedmark Basin was initiated within the boundary of two domains in the basement: the TIB and the Sveconorwegian domains.
Corrigendum on Semiclassical relativistic fluid theory for electrostatic envelope modes in dense electron–positron–ion plasmas: Modulational instability & rogue waves
Authors: KOURAKIS IOANNIS , MC KERR MICHAEL , UR-RAHMAN ATA
Published: May 2014

There is a typographical error in our recently published paper (Kourakis et al. 2014), namely, in the algebraic expression for the quantity C210 provided in the Appendix.

The correct expression for C210 should read:
${C}_{2_1}^0=\frac{c_1\left(\frac{c_1+k^2}{b}\right)^2\left(\frac{2v_g\omega}{k}+\frac{\omega^2}{k^2}\right)-2ac_2}{c_1v_g^2-ab} \, .\$

The modification is limited to the presentation of the algebraic calculation, hence the plots presented in the paper are not affected by the typographical error.
Feeding comparisons of four batoids (Elasmobranchii) in coastal waters of southern Brazil
Authors: Bornatowski Hugo , Wosnick Natascha , do Carmo Wanessa P. David , Corrêa Marco Fábio Maia , Abilhoa Vinícius
Published: May 2014

Food partitioning between species is a common strategy for avoiding resource competition which allows the coexistence of two or more species in the same place. In order to evaluate the feeding of four species of batoids regularly caught by artisanal fisheries in southern Brazil, the present study aimed to analyse and compare the diet of the four batoid species. The Chola guitarfish,Rhinobatos percellens, had a specialized diet, consisting predominantly of blue crabsCallinectessp., followed by teleost fish. The Lesser guitarfishZapteryx brevirostrisalso had a very specialized diet, consuming mainly on Polychaeta, followed by Caridea shrimp. The Cownose ray,Rhinoptera bonasus, fed mainly on Ophiuroidea, followed by Gastropoda and Bivalvia. Finally, the Rio skateRioraja agassizi, fed on teleost fish, Gammaridae, Caridea shrimp and Dendrobranchiata shrimp. An analysis of similarity showed significant differences among species in their diet. The trophic levels of the batoids in this study are <4.0, placing them in intermediate trophic levels. The analysis of the diets indicates that feeding differs substantially among the four species, suggesting a partitioning of food resources available in the environment.
Rabbinic Polysemy: A Response to Steven Fraade
Authors: Yadin-Israel Azzan
Published: May 2014

Much has been written on rabbinic polysemy over the past two decades, and yet the precise nature and dating of this phenomenon remain a matter of controversy. This note, which aims to help clarify the issue, is a response to Steven Fraade's essay, “Rabbinic Polysemy and Pluralism Revisited: Between Praxis and Thematization,” published in this journal. Surveys of the history of the polysemy debates are readily available; my present concern is with Fraade's position, and the positions to which he is responding, chief among them Daniel Boyarin's claim that rabbinic polysemy is a relatively late, post-tannaitic, phenomenon. Fraade sets out to refute this claim, and his essay provides a dozen passages that serve as “countertexts to [Boyarin's] arguments” (5). The aim of this response is to show that the rabbinic sources in question are not countertexts, and that polysemy is, in fact, a post-tannaitic phenomenon.
The communication experiences of patients with palliative care needs: A systematic review and meta-synthesis of qualitative findings
Authors: Murray Craig D. , McDonald Claire , Atkin Heather
Published: May 2014

Objective:

Optimal communication is essential in ensuring that the palliative care needs of patients are met. This continues to be an area of concern for healthcare providers. The goal of our present review was to gain a deeper understanding of the communication experiences of patients with palliative care needs that have been identified within the qualitative literature.

Method:

A systematic search for qualitative research papers was undertaken in February of 2012. Five databases (ASSIA, CINAHL, MEDLINE, PsychArticles, and PsychINFO) were searched using the search terms [“palliative care” OR “terminal care” OR “end of life care”] AND [“experience” OR “perspective” OR “qualitative” OR “interview”] AND [“patients” OR “clients” OR “service-user”]. Meta-synthesis was conducted on the data within the found papers.

Results:

A line-of-argument synthesis of 15 studies yielded four overarching themes: talking—facilitating and inhibiting factors; the importance of humanitarian qualities within communication encounters; perceptions of autonomy within communication experiences; and individual differences in preferences for honesty within interactions.

Significance of results:

Our findings are discussed in relation to existing literature and offer a deeper insight into the communication experiences of this clinical population. A number of clinical implications are offered for the healthcare professionals who are providing support to patients with palliative care needs.
Human placenta‐derived adherent cells induce tolerogenic immune responses
Authors: Liu Wei , Morschauser Andrew , Zhang Xin , Lu Xiaohua , Gleason Joseph , He Shuyang , Chen Hong‐Jung , Jankovic Vladimir , Ye Qian , Labazzo Kristen , Herzberg Uri , Albert Vivian R , Abbot Stewart E , Liang Bitao , Hariri Robert
Published: May 2014

Human placenta‐derived adherent cells (PDAC cells) are a culture expanded, undifferentiated mesenchymal‐like population derived from full‐term placental tissue, with immunomodulatory and anti‐inflammatory properties. PDA‐001 (cenplacel‐L), an intravenous formulation of PDAC cells, is in clinical development for the treatment of autoimmune and inflammatory diseases. To elucidate the mechanisms underlying the immunoregulatory properties of PDAC cells, we investigated their effects on immune cell populations, including T cells and dendritic cells (DC) in vitro and in vivo. PDAC cells suppressed T‐cell proliferation in an OT‐II T‐cell adoptive transfer model, reduced the severity of myelin oligodendrocyte glycoprotein peptide‐induced experimental autoimmune encephalomyelitis and ameliorated inflammation in a delayed type hypersensitivity response model. In vitro, PDAC cells suppressed T‐cell proliferation and inhibited Th1 and Th17 differentiation. Analysis of tissues derived from PDAC cell‐treated animals revealed diminished CD86 expression on splenic DC, suggesting that they can also modulate DC populations. Furthermore, PDAC cells modulate the differentiation and maturation of mouse bone marrow‐derived DC. Similarly, human DC differentiated from CD14+ monocytes in the presence of PDAC cells acquired a tolerogenic phenotype. These tolerogenic DC failed to induce allogeneic T‐cell proliferation and differentiation toward Th1, but skewed T‐cell differentiation toward Th2. Inhibition of cyclo‐oxygenase‐2 activity resulted in a significant, but not complete, abrogation of PDAC cells’ effects on DC phenotype and function, implying a role for prostaglandin E2 in PDAC‐mediated immunomodulation. This study identifies modulation of DC differentiation toward immune tolerance as a key mechanism underlying the immunomodulatory activities of PDAC cells.
The more, the merrier: heterotroph richness stimulates methanotrophic activity
Authors: Ho Adrian , de Roy Karen , Thas Olivier , De Neve Jan , Hoefman Sven , Vandamme Peter , Heylen Kim , Boon Nico
Published: May 2014

Although microorganisms coexist in the same environment, it is still unclear how their interaction regulates ecosystem functioning. Using a methanotroph as a model microorganism, we determined how methane oxidation responds to heterotroph diversity. Artificial communities comprising of a methanotroph and increasing heterotroph richness, while holding equal starting cell numbers were assembled. We considered methane oxidation rate as a functional response variable. Our results showed a significant increase of methane oxidation with increasing heterotroph richness, suggesting a complex interaction in the cocultures leading to a stimulation of methanotrophic activity. Therefore, not only is the methanotroph diversity directly correlated to methanotrophic activity for some methanotroph groups as shown before, but also the richness of heterotroph interacting partners is relevant to enhance methane oxidation too. In this unprecedented study, we provide direct evidence showing how heterotroph richness exerts a response in methanotroph–heterotroph interaction, resulting in increased methanotrophic activity. Our study has broad implications in how methanotroph and heterotroph interact to regulate methane oxidation, and is particularly relevant in methane-driven ecosystems.
Trans-generational Effects of Early Life Stress: The Role of Maternal Behavior
Authors: Schmauss Claudia , Lee-McDermott Zoe , Medina Liorimar Ramos
Published: May 2014

Using a rodent paradigm of early life stress, infant maternal separation (IMS), we examined whether IMS-triggered behavioral and epigenetic phenotypes of the stress-susceptible mouse strain Balb/c are propagated across generations. These phenotypes include impaired emotional behavior and deficits in executive cognitive functions in adulthood and they are associated with increased acetylation of histone H4K12 protein (acH4K12) in the forebrain neocortex. These behavioral and epigenetic phenotypes are transmitted to the first progeny of IMS Balb/c mothers, but not fathers and cross-fostering experiments revealed that this transmission is triggered by maternal behavior and modulated by the genetic background of the pups. In the continued absence of the original stressor, this transmission fades in later progenies. An adolescent treatment that lowers the levels of acH4K12 in IMS Balb/c mice augments their emotional abnormality but abolishes their cognitive deficits. Conversely, a treatment that further elevates the levels of acH4K12 improved the emotional phenotype but had no effects on the cognitive deficits. Moreover, treatments that prevent the emergence of either emotional or cognitive deficits in the mother also prevent the establishment of such deficits in her offspring, indicating that trans-generational effects of early life stress can be prevented.
Removing singular refractive indices with sculpted surfaces
Authors: Horsley S. A. R. , Hooper I. R. , Mitchell–Thomas R. C. , Quevedo–Teruel O.
Published: May 2014

The advent of Transformation Optics established the link between geometry and material properties and has resulted in a degree of control over electromagnetic fields that was previously impossible. For waves confined to a surface it is known that there is a simpler, but related, geometrical equivalence between the surface shape and the refractive index and here we demonstrate that conventional devices possessing a singularity — that is, the requirement of an infinite refractive index — can be realised for waves confined to an appropriately sculpted surface. In particular, we redesign three singular omnidirectional devices: the Eaton lens, the generalized Maxwell Fish–Eye and the invisible sphere. Our designs perfectly reproduce the behaviour of these singular devices and can be achieved with simple isotropic media of low refractive index contrast.
Assessment of density functionals and paucity of non-covalent interactions in aminoylyne complexes of molybdenum and tungsten [(η5-C5H5)(CO)2MEN(SiMe3)(R)] (E = Si, Ge, Sn, Pb): a dispersion-corrected DFT study
Authors: Pandey Krishna K. , Patidar Pankaj , Bariya Pankaj K. , Patidar Sunil K. , Vishwakarma Ravi
Published: May 2014

Geometries, bonding analysis and dispersion interactions in aminoylyne complexes of molybdenum and tungsten have been investigated using different density functionals.
Synthesis, spectroscopic characterization, X-ray structure and electrochemistry of new bis(1,2-diaminocyclohexane)gold(iii) chloride compounds and their anticancer activities against PC3 and SGC7901 cancer cell lines
Authors: Al-Jaroudi Said S. , Monim-ul-Mehboob M. , Altaf Muhammad , Fettouhi Mohammed , Wazeer Mohammed I. M. , Altuwaijri Saleh , Isab Anvarhusein A.
Published: May 2014

Promising cytotoxic gold(iii) complexes with general formula [Au{(1,2-DACH)}2]Cl3 are reported.
Electrochemical detection of sulphide in water/seawater using nanostructured carbon–epoxy composite electrodes
Authors: Ardelean M. , Manea F. , Vaszilcsin N. , Pode R.
Published: May 2014

Detection results obtained for sulphide detection in real water using a CNF electrode by square-wave voltammetry.
A fluorescently labelled sialic acid for high performance intraoperative tumor detection
Authors: Wu Xuanjun , Tian Yunpeng , Yu Mingzhu , Lin Bijuan , Han Jiahuai , Han Shoufa
Published: May 2014

High performance illumination of subcutaneous tumor and liver tumor foci in mice was achieved with FITC-labelled sialic acid, which is preferentially taken up into tumors and then incorporated into cellular proteins through an endogenous sialylation pathway.
Segregation of Fischer–Tropsch reactants on cobalt nanoparticle surfaces
Authors: Lewis E. A. , Le D. , Jewell A. D. , Murphy C. J. , Rahman T. S. , Sykes E. C. H.
Published: May 2014

Scanning tunnelling microscopy reveals segregation of carbon monoxide and hydrogen, the two Fischer–Tropsch synthesis reactants, on cobalt nanoparticles at catalytically relevant coverages. Density functional theory calculations elucidate the energetics.
Direct condensation of functionalized sp3 carbons with formanilides for enamine synthesis using an in situ generated HMDS amide catalyst
Authors: Taneda Hiroshi , Inamoto Kiyofumi , Kondo Yoshinori
Published: May 2014

Functionalized enamines, including β-enaminoesters were synthesized using in situ generated HMDS amide bases via the combination of aminosilanes and fluoride salts.
Metal-free oxidative synthesis of quinazolinones via dual amination of sp3 C–H bonds
Authors: Zhao Dan , Wang Teng , Li Jian-Xin
Published: May 2014

A novel metal-free synthesis of quinazolinones via dual amination of sp3 C–H bonds was developed. The sp3 carbon in methylarenes or adjacent to a heteroatom in DMSO, DMF or DMA was used as the one carbon synthon.
Electronic structure and photo/cathodoluminescence properties investigation of green emission phosphor NaBaScSi2O7:Eu2+with high thermal stability
Authors: Zhu Ge , Shi Yurong , Mikami Masayoshi , Shimomura Yasuo , Wang Yuhua
Published: May 2014

Synthesis, electronic structure and photo/cathodoluminescence properties of a green phosphor, NaBaScSi2O7:Eu2+, for LEDs and FEDs.
Understanding the chemical dynamics of the reactions of dicarbon with 1-butyne, 2-butyne, and 1,2-butadiene – toward the formation of resonantly stabilized free radicals
Authors: Parker Dorian S. N. , Maity Surajit , Dangi Beni B. , Kaiser Ralf I. , Landera Alexander , Mebel Alexander M.
Published: May 2014

Experimental and electronic structure investigation of the reactions of dicarbon with C4H6 isomers and their isomer specific reaction routes.
Where does the water go? A computational study on the reactivity of a ruthenium(v) oxo complex (bpc)(bpy)RuVO
Authors: Wang Ying , Ahlquist Mårten S. G.
Published: May 2014

Two possible reactive sites (the oxo site and the Ru site) for water on a high-valent ruthenium(v) oxo complex were examined.
On the molecular mechanism of non-radiative decay of nitrobenzene and the unforeseen challenges this simple molecule holds for electronic structure theory
Authors: Mewes Jan-M. , Jovanović Vladimir , Marian Christel M. , Dreuw Andreas
Published: May 2014

We present a complete mechanistic picture of the non-radiative relaxation of nitrobenzene via IC and ISC along three internal coordinates.
Preference for a propellane motif in pure silicon nanosheets
Authors: Marutheeswaran S. , Pancharatna Pattath D. , Balakrishnarajan Musiri M.
Published: May 2014

Two-dimensional nanosystems of pure silicon energetically prefer a nonclassical propellane structure as the basic building block over sp2-hybridized silicene. All the isomeric forms are found to be semiconductors with a narrow band gap.
A reduced radial potential energy function for the halogen bond and the hydrogen bond in complexes B⋯XY and B⋯HX, where X and Y are halogen atoms
Authors: Legon Anthony C.
Published: May 2014

The dissociation energy Dσ is directly proportional to the intermolecular stretching force constant kσ for many hydrogen- and halogen-bonded complexes.
Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh
Authors: Iannuzzi Marcella , Tran Fabien , Widmer Roland , Dienel Thomas , Radican Kevin , Ding Yun , Hutter Jürg , Gröning Oliver
Published: May 2014

STM and DFT study of site selectivity of h-BN/Rh(111) (nanomesh) for the adsorption phthalocyanine, showing impressive agreement between experiment and theory.
Addition of CF3 across unsaturated moieties: a powerful functionalization tool
Authors: Merino Estíbaliz , Nevado Cristina
Published: May 2014

This review summarizes recent methodologies for the simultaneous formation of C–CF3 and C–C or C–heteroatom bonds by formal addition reactions to alkenes.
Novel in situ methodology to observe the interactions of chemotherapeutical Pt drugs with DNA under physiological conditions
Authors: Lipiec Ewelina , Czapla Joanna , Szlachetko Jakub , Kayser Yves , Kwiatek Wojciech , Wood Bayden , Deacon Glen B. , Sá Jacinto
Published: May 2014

The binding of the antitumor drug cisplatin with DNA was determined by means of in situ resonant inelastic X-ray scattering (RIXS) spectroscopy.
A new family of Ln7 clusters with an ideal D3h metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors
Authors: Mazarakioti Eleni C. , Poole Katye M. , Cunha-Silva Luis , Christou George , Stamatatos Theocharis C.
Published: May 2014

A new family of emissive Ln7 clusters with ideal D3h metal-centered trigonal prismatic topology and SMM behavior has been obtained.
Dehydrogenation of hydrocarbons with metal-carbon multiple bonds and trapping of a titanium(ii) intermediate
Authors: Hickey Anne K. , Crestani Marco G. , Fout Alison R. , Gao Xinfeng , Chen Chun-Hsing , Mindiola Daniel J.
Published: May 2014

Reacting (PNP)TiCHtBu(CH2tBu) with 2,2′-bipyridine (bipy) in cyclohexane or heptane results in dehydrogenation of the solvent, cleanly producing cyclohexene and 1-heptene, respectively, and a TiII intermediate that is trapped by bipy.
Nutritional aspects of β-carotene and resveratrol antioxidant synergism in giant unilamellar vesicles
Authors: Wang Hui-Jing , Liang Ran , Fu Li-Min , Han Rui-Min , Zhang Jian-Ping , Skibsted Leif H.
Published: May 2014

β-Carotene andtrans-resveratrol synergistically protect biomembranes from oxidative stress, where β-carotene induces a lag phase andtrans-resveratrol reduces the liposomal budding rate.
A two-step biocatalytic cascade in micro-aqueous medium: using whole cells to obtain high concentrations of a vicinal diol
Authors: Jakoblinnert Andre , Rother Dörte
Published: May 2014

Two-step biocatalytic cascade yields chiral vicinal diols with excellent stereoselectivity and space-time-yields up to 330 g L−1 d−1 under micro-aqueous reaction conditions.
Protein measurements in microwells
Authors: Walt David R.
Published: May 2014

Protein measurements are essential to many fields ranging from fundamental biochemistry to clinical diagnostics.
Dual-pore glass chips for cell-attached single-channel recordings
Authors: Bruhn Brandon R. , Liu Haiyan , Schuhladen Stefan , Hunt Alan J. , Mordovanakis Aghapi , Mayer Michael
Published: May 2014

This automated dual-pore planar patch-clamp platform enables low-noise single-channel recordings with similar fidelity to conventional pipette-based patch-clamp experiments.
Synthesis of triphenylamine based polysiloxane as a blue phosphorescent host
Authors: Sun Dianming , Yang Zhaomin , Sun Xiaoli , Li Huihui , Ren Zhongjie , Liu Junteng , Ma Dongge , Yan Shouke
Published: May 2014

Triphenylamine based polysiloxane has been successfully synthesized as a phosphorescent host. This work demonstrates that modifying triphenylamine by polysiloxane is a promising approach to improve its physical properties while maintaining its electronic properties.
Highly pH-sensitive polyurethane exhibiting shape memory and drug release
Authors: Chen Hongmei , Li Ying , Liu Ye , Gong Tao , Wang Lin , Zhou Shaobing
Published: May 2014

A hydrogen bonding interaction is formed and broken between N of the pyridine ring and H–N of urethane in the PEG4000–MDI–BIN polymer due to the deprotonation and protonation of pyridine rings by simply changing the pH value of the external environment, and can reversibly switch both the shape memory and drug release.
Eucalmaidials A and B, phloroglucinol-coupled sesquiterpenoids from the juvenile leaves of Eucalyptus maideni
Authors: Tian Li-Wen , Xu Min , Li Xing-Cong , Yang Chong-Ren , Zhu Hua-Jie , Zhang Ying-Jun
Published: May 2014

Eucalmaidials A and B, representing a new skeleton of phloroglucinol-coupled iphionane, were isolated from the juvenile leaves of Eucalyptus maideni.
Molecular characterization of an end-residue of humeomics applied to a soil humic acid
Authors: Nebbioso A. , Piccolo A. , Lamshöft M. , Spiteller M.
Published: May 2014

Humeomics encompasses step-wise chemical fractionation and instrumental determination to fully characterize the heterogeneous molecular composition of natural organic matter.
Controllable synthesis of obvious core–shell structured Y/Beta composite zeolite by a stepwise-induced method
Authors: Ren Bo , Bai Shiyang , Sun Jihong , Zhang Faqian , Fan Minghui
Published: May 2014

A stepwise-induced method with easy and simple preparations is proposed, which is used to successfully prepare the obvious core–shell structured Y/Beta composite zeolite using the pre-synthesized NaY-zeolite as a starting material.
Thermoelectric properties of p-type polycrystalline SnSe doped with Ag
Authors: Chen Cheng-Lung , Wang Heng , Chen Yang-Yuan , Day Tristan , Snyder G. Jeffrey
Published: May 2014

Doped polycrystalline SnSe could have zT 0.6 at 750 K, suggesting good potential for thermoelectrics. Challenges come from difficulty in doping and hysteresis in resistivity.
NRBF2 regulates macroautophagy as a component of Vps34 Complex I
Authors: Cao Yanyan , Wang Yichen , Abi Saab Widian F. , Yang Fajun , Pessin Jeffrey E. , Backer Jonathan M.
Published: May 2014

Macroautophagy is a physiological cellular response to nutrient stress, which leads to the engulfment of cytosolic contents by a double-walled membrane structure, the phagophore. Phagophores seal to become autophagosomes, which then fuse with lysosomes to deliver their contents for degradation. Macroautophagy is regulated by numerous cellular factors, including the Class III PI3K (phosphoinositide 3-kinase) Vps34 (vacuolar protein sorting 34). The autophagic functions of Vps34 require its recruitment to a complex that includes Vps15, Beclin-1 and Atg14L (autophagy-related 14-like protein) and is known as Vps34 Complex I. We have now identified NRBF2 (nuclear receptor-binding factor 2) as a new member of Vps34 Complex I. NRBF2 binds to complexes that include Vps34, Vps15, Beclin-1 and ATG-14L, but not the Vps34 Complex II component UVRAG (UV radiation resistance-associated gene). NRBF2 directly interacts with Vps15 via the Vps15 WD40 domain as well as other regions of Vps15. The formation of GFP–LC3 (light chain 3) punctae and PE (phosphatidylethanolamine)-conjugated LC3 (LC3-II) in serum-starved cells was inhibited by NRBF2 knockdown in the absence and presence of lysosomal inhibitors, and p62 levels were increased. Thus NRBF2 plays a critical role in the induction of starvation-induced autophagy as a specific member of Vps34 Complex I.
Integrated transformer using magnetic sheet for LLC resonant converter
Authors: Kang B.G. , Park C.S. , Chung S.K.
Published: May 2014

The design and implementation of a simple integrated magnetic (IM) transformer for an LLC resonant converter are presented. The IM transformer with a resonant inductor is implemented using a flexible magnetic sheet. Experimental results are provided to show the validity of the proposed IM transformer.
Fast online dynamic voltage instability prediction and voltage stability classification
Authors: Khoshkhoo Hamid , Shahrtash S. Mohammad
Published: May 2014

In this study, a novel approach is proposed for fast prediction of dynamic voltage instability occurrence (as a short term phenomenon and/or a long term one) and voltage stability stiffness of the system, against load disturbances. The main contribution of this paper is in introducing a procedure for generating novel features to be applied to a pattern classifier, by which dynamic voltage stability status of a power system can be predicted. The proposed feature generation procedure only needs measured pre‐disturbance variables and disturbance severity provided by phasor measurement units as inputs whereas a set of output variables are derived from an unconstrained power flow program. Since the proposed method does not need any measured post disturbance data, the prediction task can be performed just after the disturbance. Thus, corrective actions can be executed in a short time after the disturbance to inhibit voltage instability. Moreover as no measured post‐disturbance data are needed, the proposed method can also be employed in preventive procedures for voltage stability enhancement and/or decreasing possibility of voltage instability occurrence. Training a decision tree based classifier with the proposed features and testing the method on a modified version of Nordic32 test system, the simulation results have demonstrated that the proposed method effectively predicts the status of dynamic voltage stability in the test system.
Optimal distributed generation placement in shunt capacitor compensated distribution systems considering voltage sag and harmonics distortions
Authors: Biswas Soma , Goswami Swapan Kumar , Chatterjee Amitava
Published: May 2014

The present study proposes a method of solving the distributed generations (DGs) placement problem by considering multiple aspects of a power system operation. In addition to the commonly considered objectives of reduction of the loss and improvement of the voltage profile, this study has optimised other power quality related objectives such as minimisation of the voltage sag and harmonic distortion. A new formulation of a composite, constrained objective function is put forward by considering objectives such as the cost of the power losses, the cost of the DGs and the cost of loss of load because of the voltage sag and the constraints such as line flow limits, number/size of the installed DGs and the power quality limits of the standard IEEE‐519. The system under consideration is a complex one consisting of both linear and non‐linear loads as well as the power factor correcting capacitors. The effect of the non‐linear harmonic generating loads and the compensating capacitors on the penetration of the DGs in the distribution system is investigated. This optimisation problem is solved for several distribution systems by using several metaheuristic optimisation techniques. However, detailed results are presented on a benchmark IEEE 33 bus radial distribution system using genetic algorithm to demonstrate the effectiveness of the proposed method. A comparative performance analysis of various metaheuristic optimisation techniques is also presented to show the applicability of different optimisation techniques in solving the proposed optimisation problem.
Maintaining balanced three‐phase load voltage during single‐phase auto‐reclosing in medium voltage distribution lines
Authors: Basu Kartik P. , George Moleykutty
Published: May 2014

Single‐phase auto‐reclosing (SPAR) is used for restoring power supply to clear temporary single‐phase to ground fault in medium‐voltage distribution systems. A zigzag winding grounding transformer connected at the remotest load bus rebuilds the three‐phase voltage during the SPAR dead time. A distribution system having more than one branch needs one zigzag transformer at the remotest end of each branch. Build‐up three‐phase voltage during SPAR is not balanced. Operation of distributed generator connected to the system during SPAR needs the voltage to be balanced. Magnitude of the negative sequence voltage may be reduced by connecting capacitor in series with the neutrals of each zigzag transformer.
Site-dependent charge transfer at the Pt(111)-ZnPc interface and the effect of iodine
Authors: Ahmadi Sareh , Agnarsson Björn , Bidermane Ieva , Wojek Bastian M. , Noël Quentin , Sun Chenghua , Göthelid Mats
Published: May 2014

The electronic structure of ZnPc, from sub-monolayers to thick films, on bare and iodated Pt(111) is studied by means of X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and scanning tunneling microscopy. Our results suggest that at low coverage ZnPc lies almost parallel to the Pt(111) substrate, in a non-planar configuration induced by Zn-Pt attraction, leading to an inhomogeneous charge distribution within the molecule and an inhomogeneous charge transfer to the molecule. ZnPc does not form a complete monolayer on the Pt surface, due to a surface-mediated intermolecular repulsion. At higher coverage ZnPc adopts a tilted geometry, due to a reduced molecule-substrate interaction. Our photoemission results illustrate that ZnPc is practically decoupled from Pt, already from the second layer. Pre-deposition of iodine on Pt hinders the Zn-Pt attraction, leading to a non-distorted first layer ZnPc in contact with Pt(111)-I(√3×√3) or Pt(111)-I(√7×√7), and a more homogeneous charge distribution and charge transfer at the interface. On increased ZnPc thickness iodine is dissolved in the organic film where it acts as an electron acceptor dopant.
1H relaxation enhancement induced by nanoparticles in solutions: Influence of magnetic properties and diffusion
Authors: Kruk D. , Korpała A. , Taheri S. Mehdizadeh , Kozłowski A. , Förster S. , Rössler E. A.
Published: May 2014

Magnetic nanoparticles that induce nuclear relaxation are the most promising materials to enhance the sensitivity in Magnetic Resonance Imaging. In order to provide a comprehensive understanding of the magnetic field dependence of the relaxation enhancement in solutions, Nuclear Magnetic Resonance 1H spin-lattice relaxation for decalin and toluene solutions of various Fe2O3 nanoparticles was investigated. The relaxation experiments were performed in a frequency range of 10 kHz–20 MHz by applying Field Cycling method, and in the temperature range of 257–298 K, using nanoparticles differing in size and shape: spherical – 5 nm diameter, cubic – 6.5 nm diameter, and cubic – 9 nm diameter. The relaxation dispersion data were interpreted in terms of a theory of nuclear relaxation induced by magnetic crystals in solution. The approach was tested with respect to its applicability depending on the magnetic characteristics of the nanocrystals and the time-scale of translational diffusion of the solvent. The role of Curie relaxation and the contributions to the overall 1H spin-lattice relaxation associated with the electronic spin-lattice and spin-spin relaxation was thoroughly discussed. It was demonstrated that the approach leads to consistent results providing information on the magnetic (electronic) properties of the nanocrystals, i.e., effective electron spin and relaxation times. In addition, features of the 1H spin-lattice relaxation resulting from the electronic properties of the crystals and the solvent diffusion were explained.
A new efficient method for calculation of Frenkel exciton parameters in molecular aggregates
Authors: Plötz Per-Arno , Niehaus Thomas , Kühn Oliver
Published: May 2014

The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e., monomeric excitation energies and Coulomb couplings between transition densities can be efficiently calculated using time-dependent tight-binding-based density functional theory (TD-DFTB). Specifically, Coulomb couplings are expressed in terms of self-consistently determined Mulliken transition charges. The approach is applied to two dimer systems. First, formaldehyde oxime for which a detailed comparison with standard DFT using the B3LYP and the PBE functionals as well as with SCS-CC2 is provided. Second, the Coulomb coupling is explored in dependence on the intermolecular coordinates for a perylene bisimide dimer. This provides structural evidence for the previously observed biphasic aggregation behavior of this dye.
Three-dimensional, two-species magnetohydrodynamic studies of the early time behaviors of the Combined Release and Radiation Effects Satellite G2 barium release
Authors: Xie Lianghai , Li Lei , Wang Jingdong , Zhang Yiteng
Published: May 2014

We present a three-dimensional, two-species (Ba+ and H+) MHD model to study the early time behaviors of a barium release at about 1 RE like Combined Release and Radiation Effects Satellite G2, with emphasis placed on the three-dimensional evolution of the barium cloud and its effects on the ambient plasma environment. We find that the perturbations caused by the cloud are the combined results of the initial injection, the radial expansion, and the diamagnetic effect and propagate as fast MHD waves in the magnetosphere. In return, the transverse expansion and the cross-B motion of barium ions are constrained by the magnetic force, which lead to a field-aligned striation of ions and the decoupling of these ions from the neutrals. Our simulation shows the formation and collapse of the diamagnetic cavity in the barium cloud. The estimated time scale for the cavity evolution might be much shorter if photoionization time scale and field aligned expansion of barium ions are considered. In addition, our two species MHD simulation also finds the snowplow effect resulting from the momentum coupling between barium ions and background H+, which creates density hole and bumps in the background H+ when barium ions expanding along the magnetic field lines.
Continuous flow, explosives vapor generator and sensor chamber
Authors: Collins Greg E. , Giordano Braden C. , Sivaprakasam Vasanthi , Ananth Ramagopal , Hammond Mark , Merritt Charles D. , Tucker John E. , Malito Michael , Eversole Jay D. , Rose-Pehrsson Susan
Published: May 2014

A novel liquid injection vapor generator (LIVG) is demonstrated that is amenable to low vapor pressure explosives, 2,4,6-trinitrotoluene and hexahydro-1,3,5-trinitro-1,3,5-triazine. The LIVG operates in a continuous manner, providing a constant and stable vapor output over a period of days and whose concentration can be extended over as much as three orders of magnitude. In addition, a large test atmosphere chamber attached to the LIVG is described, which enables the generation of a stable test atmosphere with controllable humidity and temperature. The size of the chamber allows for the complete insertion of testing instruments or arrays of materials into a uniform test atmosphere, and various electrical feedthroughs, insertion ports, and sealed doors permit simple and effective access to the sample chamber and its vapor.