bluuebunny/crossref_metadata_2025 huggingface dataset:
Hampering Effect of Cholesterol on the Permeation of Reactive Oxygen Species through Phospholipids Bilayer: Possible Explanation for Plasma Cancer Selectivity
Authors: Van der Paal Jonas , Verheyen Claudia , Neyts Erik C. , Bogaerts Annemie
Published: January 2017

In recent years, the ability of cold atmospheric pressure plasmas (CAPS) to selectively induce cell death in cancer cells has been widely established. This selectivity has been assigned to the reactive oxygen and nitrogen species (RONS) created in CAPs. To provide new insights in the search for an explanation for the observed selectivity, we calculate the transfer free energy of multiple ROS across membranes containing a varying amount of cholesterol. The cholesterol fraction is investigated as a selectivity parameter because membranes of cancer cells are known to contain lower fractions of cholesterol compared to healthy cells. We find that cholesterol has a significant effect on the permeation of reactive species across a membrane. Indeed, depending on the specific reactive species, an increasing cholesterol fraction can lead to (i) an increase of the transfer free energy barrier height and width, (ii) the formation of a local free energy minimum in the center of the membrane and (iii) the creation of extra free energy barriers due to the bulky sterol rings. In the context of plasma oncology, these observations suggest that the increased ingress of RONS in cancer cells can be explained by the decreased cholesterol fraction of their cell membrane.
NMR reveals a dynamic allosteric pathway in thrombin
Authors: Handley Lindsey D. , Fuglestad Brian , Stearns Kyle , Tonelli Marco , Fenwick R. Bryn , Markwick Phineus R. L. , Komives Elizabeth A.
Published: January 2017

Although serine proteases are found ubiquitously in both eukaryotes and prokaryotes, and they comprise the largest of all of the peptidase families, their dynamic motions remain obscure. The backbone dynamics of the coagulation serine protease, apo-thrombin (S195M-thrombin), were compared to the substrate-bound form (PPACK-thrombin). R1, R2, 15N-{1H}NOEs, and relaxation dispersion NMR experiments were measured to capture motions across the ps to ms timescale. The ps-ns motions were not significantly altered upon substrate binding. The relaxation dispersion data revealed that apo-thrombin is highly dynamic, with μs-ms motions throughout the molecule. The region around the N-terminus of the heavy chain, the Na+-binding loop, and the 170 s loop, all of which are implicated in allosteric coupling between effector binding sites and the active site, were dynamic primarily in the apo-form. Most of the loops surrounding the active site become more ordered upon PPACK-binding, but residues in the N-terminal part of the heavy chain, the γ-loop, and anion-binding exosite 1, the main allosteric binding site, retain μs-ms motions. These residues form a dynamic allosteric pathway connecting the active site to the main allosteric site that remains in the substrate-bound form.
Synthesis and insecticidal activity of acridone derivatives to Aedes aegypti and Culex quinquefasciatus larvae and non-target aquatic species
Authors: Roopan Selvaraj Mohana , Bharathi Annadurai , Al-Dhabi Naif Abdullah , Arasu Mariadhas Valan , Madhumitha G.
Published: January 2017

A serious Mosquito borne yellow fever is one of the grave diseases which affect the major population. Since there is no specific treatment for yellow fever, there is a necessity to develop an effective agent. The series of acridinone analogues 3 to 5 were synthesized with help of non-conventional microwave heating and confirmed by respective spectral characterization. 5c and 3b showed highest activity to kill 90% of larvae against A. aegypti and C. quinquefasciatus, respectively. Also the active products were treated to check the mortality of non-target aquatic species. Through the reports of the larvicidal bioassay, compounds 3b against C. quinquefasciatus whereas 5c against A. aegypti were found to be more active. By keeping this as a platform, further extension of the work can be done to find out a valuable drug for controlling disease vectors.
4,3-α-Glucanotransferase, a novel reaction specificity in glycoside hydrolase family 70 and clan GH-H
Authors: Gangoiti Joana , van Leeuwen Sander S. , Gerwig Gerrit J. , Duboux Stéphane , Vafiadi Christina , Pijning Tjaard , Dijkhuizen Lubbert
Published: January 2017

Lactic acid bacteria possess a diversity of glucansucrase (GS) enzymes that belong to glycoside hydrolase family 70 (GH70) and convert sucrose into α-glucan polysaccharides with (α1 → 2)-, (α1 → 3)-, (α1 → 4)- and/or (α1 → 6)-glycosidic bonds. In recent years 3 novel subfamilies of GH70 enzymes, inactive on sucrose but using maltodextrins/starch as substrates, have been established (e.g. GtfB of Lactobacillus reuteri 121). Compared to the broad linkage specificity found in GSs, all GH70 starch-acting enzymes characterized so far possess 4,6-α-glucanotransferase activity, cleaving (α1 → 4)-linkages and synthesizing new (α1 → 6)-linkages. In this work a gene encoding a putative GH70 family enzyme was identified in the genome of Lactobacillus fermentum NCC 2970, displaying high sequence identity with L. reuteri 121 GtfB 4,6-α-glucanotransferase, but also with unique variations in some substrate-binding residues of GSs. Characterization of this L. fermentum GtfB and its products revealed that it acts as a 4,3-α-glucanotransferase, converting amylose into a new type of α-glucan with alternating (α1 → 3)/(α 1 → 4)-linkages and with (α1 → 3,4) branching points. The discovery of this novel reaction specificity in GH70 family and clan GH-H expands the range of α-glucans that can be synthesized and allows the identification of key positions governing the linkage specificity within the active site of the GtfB-like GH70 subfamily of enzymes.
Isolation of cell type-specific apoptotic bodies by fluorescence-activated cell sorting
Authors: Atkin-Smith Georgia K. , Paone Stephanie , Zanker Damien J. , Duan Mubing , Phan Than K. , Chen Weisan , Hulett Mark D. , Poon Ivan K. H.
Published: January 2017

Apoptotic bodies (ApoBDs) are membrane-bound extracellular vesicles that can mediate intercellular communication in physiological and pathological settings. By combining recently developed analytical strategies with fluorescence-activated cell sorting (FACS), we have developed a method that enables the isolation of ApoBDs from cultured cells to 99% purity. In addition, this approach also enables the identification and isolation of cell type-specific ApoBDs from tissue, bodily fluid and blood-derived samples.
Heterophase-structured nanocrystals as superior supports for Ru-based catalysts in selective hydrogenation of benzene
Authors: Peng Zhikun , Liu Xu , Li Shuaihui , Li Zhongjun , Li Baojun , Liu Zhongyi , Liu Shouchang
Published: January 2017

ZrO2 heterophase structure nanocrystals (HSNCs) were synthesized with tunable ratios of monoclinic ZrO2 (m-ZrO2) to tetragonal ZrO2 (t-ZrO2). The phase mole ratio of m-ZrO2 versus t-ZrO2 in ZrO2 HSNCs was tuned from 40% to 100%. The concentration of the surface hydroxyl groups on m-ZrO2 is higher than that on t-ZrO2. ZrO2 HSNCs have different surface hydroxyl groups on two crystalline phases. This creates more intimate synergistic effects than their single-phase counterparts. The ZrO2 HSNCs were used as effective supports to fabricate heterophase-structured Ru/ZrO2 catalysts for benzene-selective hydrogenation. The excellent catalytic performance including high activity and selectivity is attributed to the heterogeneous strong/weak hydrophilic interface and water layer formed at the m-ZrO2/t-ZrO2 catalyst junction.
Limitations of predicting microvascular invasion in patients with hepatocellular cancer prior to liver transplantation
Authors: Grąt Michał , Stypułkowski Jan , Patkowski Waldemar , Bik Emil , Krasnodębski Maciej , Wronka Karolina M. , Lewandowski Zbigniew , Wasilewicz Michał , Grąt Karolina , Masior Łukasz , Ligocka Joanna , Krawczyk Marek
Published: January 2017

Microvascular invasion (MVI) is well known to negatively influence outcomes following surgical treatment of hepatocellular cancer (HCC) patients. The aim of this study was to evaluate the rationale for prediction of MVI before liver transplantation (LT). Data of 200 HCC patients after LT were subject to retrospective analysis. MVI was present in 57 patients (28.5%). Tumor number (p = 0.001) and size (p = 0.009), and alpha-fetoprotein (p = 0.049) were independent predictors of MVI used to create a prediction model, defined as: 0.293x(tumor number) + 0.283x(tumor size in cm) + 0.164xloge(alpha-fetoprotein in ng/ml) (c statistic = 0.743). The established cut-off (≥2.24) was associated with sensitivity and specificity of 72%. MVI was not an independent risk factor for recurrence (p = 0.307), in contrast to tumor number (p = 0.047) and size (p < 0.001), alpha-fetoprotein (p < 0.001) and poor differentiation (p = 0.039). Recurrence-free survival at 5 years for patients without MVI was 85.9% as compared to 83.3% (p = 0.546) and 55.3% (p = 0.001) for patients with false negative and true positive prediction of MVI, respectively. The use of both morphological and biological tumor features enables effective pre-transplant prediction of high-risk MVI. Provided that these parameters are combined in selection of HCC patients for LT, pre-transplant identification of all patients with MVI does not appear necessary.
Combining in-situ lithography with 3D printed solid immersion lenses for single quantum dot spectroscopy
Authors: Sartison Marc , Portalupi Simone Luca , Gissibl Timo , Jetter Michael , Giessen Harald , Michler Peter
Published: January 2017

In the current study, we report on the deterministic fabrication of solid immersion lenses (SILs) on lithographically pre-selected semiconductor quantum dots (QDs). We demonstrate the combination of state-of-the-art low-temperature in-situ photolithography and femtosecond 3D direct laser writing. Several QDs are pre-selected with a localization accuracy of less than 2 nm with low-temperature lithography and three-dimensional laser writing is then used to deterministically fabricate hemispherical lenses on top of the quantum emitter with a submicrometric precision. Due to the printed lenses, the QD light extraction efficiency is enhanced by a factor of 2, the pumping laser is focused more, and the signal-to-noise ratio is increased, leading to an improved localization accuracy of the QD to well below 1 nm. Furthermore, modifications of the QD properties, i.e. strain and variation of internal quantum efficiency induced by the printed lenses, are also reported.
Rational and practical exfoliation of graphite using well-defined poly(3-hexylthiophene) for the preparation of conductive polymer/graphene composite
Authors: Iguchi Hiroki , Higashi Chisato , Funasaki Yuichi , Fujita Keisuke , Mori Atsunori , Nakasuga Akira , Maruyama Tatsuo
Published: January 2017

Processing and manipulation of highly conductive pristine graphene in large quantities are still major challenges in the practical application of graphene for electric device. In the present study, we report the liquid-phase exfoliation of graphite in toluene using well-defined poly(3-hexylthiophene) (P3HT) to produce a P3HT/graphene composite. We synthesize and use regioregular P3HT with controlled molecular weights as conductive dispersants for graphene. Simple ultrasonication of graphite flakes with the P3HT successfully produces single-layer and few-layer graphene sheets dispersed in toluene. The produced P3HT/graphene composite can be used as conductive graphene ink, indicating that the P3HT/graphene composite has high electrical conductivity owing to the high conductivity of P3HT and graphene. The P3HT/graphene composite also works as an oxidation-resistant and conductive film for a copper substrate, which is due to the high gas-barrier property of graphene.
Structural origin of fractional Stokes-Einstein relation in glass-forming liquids
Authors: Pan Shaopeng , Wu Z. W. , Wang W. H. , Li M. Z. , Xu Limei
Published: January 2017

In many glass-forming liquids, fractional Stokes-Einstein relation (SER) is observed above the glass transition temperature. However, the origin of such phenomenon remains elusive. Using molecular dynamics simulations, we investigate the break- down of SER and the onset of fractional SER in a model of metallic glass-forming liquid. We find that SER breaks down when the size of the largest cluster consisting of trapped atoms starts to increase sharply at which the largest cluster spans half of the simulations box along one direction, and the fractional SER starts to follows when the largest cluster percolates the entire system and forms 3-dimentional network structures. Further analysis based on the percolation theory also confirms that percolation occurs at the onset of the fractional SER. Our results directly link the breakdown of the SER with structure inhomogeneity and onset of the fraction SER with percolation of largest clusters, thus provide a possible picture for the break- down of SER and onset of fractional SER in glass-forming liquids, which is is important for the understanding of the dynamic properties in glass-forming liquids.
Further characterization of Maize chlorotic mottle virus and its synergistic interaction with Sugarcane mosaic virus in maize
Authors: Wang Qiang , Zhang Chao , Wang Chunyan , Qian Yajuan , Li Zhenghe , Hong Jian , Zhou Xueping
Published: January 2017

Maize chlorotic mottle virus (MCMV) was first reported in maize in China in 2009. In this study we further analyzed the epidemiology of MCMV and corn lethal necrosis disease (CLND) in China. We determined that CLND observed in China was caused by co-infection of MCMV and sugarcane mosaic virus (SCMV). Phylogenetic analysis using four full-length MCMV cDNA sequences obtained in this study and the available MCMV sequences retrieved from GenBank indicated that Chinese MCMV isolates were derived from the same source. To screen for maize germplasm resistance against MCMV infection, we constructed an infectious clone of MCMV isolate YN2 (pMCMV) and developed an Agrobacterium-mediated injection procedure to allow high throughput inoculations of maize with the MCMV infectious clone. Electron microscopy showed that chloroplast photosynthesis in leaves was significantly impeded by the co-infection of MCMV and SCMV. Mitochondria in the MCMV and SCMV co-infected cells were more severely damaged than in MCMV-infected cells. The results of this study provide further insight into the epidemiology of MCMV in China and shed new light on physiological and cytopathological changes related to CLND in maize.
SHG-specificity of cellular Rootletin filaments enables naïve imaging with universal conservation
Authors: Akiyama Toshihiro , Inoko Akihito , Kaji Yuichi , Yonemura Shigenobu , Kakiguchi Kisa , Segawa Hiroki , Ishitsuka Kei , Yoshida Masaki , Numata Osamu , Leproux Philippe , Couderc Vincent , Oshika Tetsuro , Kano Hideaki
Published: January 2017

Despite growing demand for truly naïve imaging, label-free observation of cilium-related structure remains challenging, and validation of the pertinent molecules is correspondingly difficult. In this study, in retinas and cultured cells, we distinctively visualized Rootletin filaments in rootlets in the second harmonic generation (SHG) channel, integrated in custom coherent nonlinear optical microscopy (CNOM) with a simple, compact, and ultra-broadband supercontinuum light source. This SHG signal was primarily detected on rootlets of connecting cilia in the retinal photoreceptor and was validated by colocalization with anti-Rootletin staining. Transfection of cells with Rootletin fragments revealed that the SHG signal can be ascribed to filaments assembled from the R234 domain, but not to cross-striations assembled from the R123 domain. Consistent with this, Rootletin-depleted cells lacked SHG signal expected as centrosome linker. As a proof of concept, we confirmed that similar fibrous SHG was observed even in unicellular ciliates. These findings have potential for broad applications in clinical diagnosis and biophysical experiments with various organisms.
Single cell time-lapse analysis reveals that podoplanin enhances cell survival and colony formation capacity of squamous cell carcinoma cells
Authors: Miyashita Tomoyuki , Higuchi Youichi , Kojima Motohiro , Ochiai Atsushi , Ishii Genichiro
Published: January 2017

Tumor initiating cells (TICs) are characterized by high clonal expansion capacity. We previously reported that podoplanin is a TIC-specific marker for the human squamous cell carcinoma cell line A431. The aim of this study is to explore the molecular mechanism underlying the high clonal expansion potential of podoplanin-positive A431cells using Fucci imaging. Single podoplanin-positive cells created large colonies at a significantly higher frequency than single podoplanin-negative cells, whereas no difference was observed between the two types of cells with respect to cell cycle status. Conversely, the cell death ratio of progenies derived from podoplanin-positive single cell was significantly lower than that of cells derived from podoplanin-negative cells. Single A431 cells, whose podoplanin expression was suppressed by RNA interference, exhibited increased cell death ratios and decreased frequency of large colony forming. Moreover, the frequency of large colony forming decreased significantly when podoplanin-positive single cells was treated with a ROCK (Rho-associated coiled-coil kinase) inhibitor, whereas no difference was observed in single podoplanin-negative cells. Our current study cleared that high clonal expansion capacity of podoplanin-positive TICs populations was the result of reduced cell death by podoplanin-mediated signaling. Therefore, podoplanin activity may be a therapeutic target in the treatment of squamous cell carcinomas.
CNTs-Modified Nb3O7F Hybrid Nanocrystal towards Faster Carrier Migration, Lower Bandgap and Higher Photocatalytic Activity
Authors: Huang Fei , Li Zhen , Yan Aihua , Zhao Hui , Liang Huagen , Gao Qingyu , Qiang Yinghuai
Published: January 2017

Novel semiconductor photocatalysts have been the research focus and received much attention in recent years. The key issues for novel semiconductor photocatalysts are to effectively harvest solar energy and enhance the separation efficiency of the electron-hole pairs. In this work, novel Nb3O7F/CNTs hybrid nanocomposites with enhanced photocatalytic activity have been successfully synthesized by a facile hydrothermal plus etching technique. The important finding is that appropriate pH values lead to the formation of Nb3O7F nanocrystal directly. A general strategy to introdue interaction between Nb3O7F and CNTs markedly enhances the photocatalytic activity of Nb3O7F. Comparatively, Nb3O7F/CNTs nanocomposites exhibit higher photodegradation efficiency and faster photodegradation rate in the solution of methylene blue (MB) under visible-light irradiation. The higher photocatalytic activity may be attributed to more exposed active sites, higher carrier migration and narrower bandgap because of good synergistic effect. The results here may inspire more engineering, new design and facile fabrication of novel photocatalysts with highly photocatalytic activity.
Core-shell structured titanium-nitrogen alloys with high strength, high thermal stability and good plasticity
Authors: Zhang Y. S. , Zhao Y. H. , Zhang W. , Lu J. W. , Hu J. J. , Huo W. T. , Zhang P. X.
Published: January 2017

Multifunctional materials with more than two good properties are widely required in modern industries. However, some properties are often trade-off with each other by single microstructural designation. For example, nanostructured materials have high strength, but low ductility and thermal stability. Here by means of spark plasma sintering (SPS) of nitrided Ti particles, we synthesized bulk core-shell structured Ti alloys with isolated soft coarse-grained Ti cores and hard Ti-N solid solution shells. The core-shell Ti alloys exhibit a high yield strength (~1.4 GPa) comparable to that of nanostructured states and high thermal stability (over 1100 °C, 0.71 of melting temperature), contributed by the hard Ti-N shells, as well as a good plasticity (fracture plasticity of 12%) due to the soft Ti cores. Our results demonstrate that this core-shell structure offers a design pathway towards an advanced material with enhancing strength-plasticity-thermal stability synergy.
Transcriptome profiles reveal gene regulation of peanut (Arachis hypogaea L.) nodulation
Authors: Peng Ze , Liu Fengxia , Wang Liping , Zhou Hai , Paudel Dev , Tan Lubin , Maku James , Gallo Maria , Wang Jianping
Published: January 2017

The molecular mechanisms of symbiosis in cultivated peanut with a ‘crack entry’ infection process are largely understudied. In this study, we investigated the root transcriptional profiles of two pairs of non-nodulating (nod−) and nodulating (nod+) sister inbred peanut lines, E4/E5 and E7/E6, and their nod+ parents, F487A and PI262090 during rhizobial infection and nodule initiation by using RNA-seq technology. A total of 143, 101, 123, 215, 182, and 289 differentially expressed genes (DEGs) were identified in nod− E4, E7 and nod+ E5, E6, F487A, and PI262090 after inoculation with Bradyrhizobium sp. Different deficiencies at upstream of symbiotic signaling pathway were revealed in the two nod− genotypes. DEGs specific in nod+ genotypes included orthologs to some known symbiotic signaling pathway genes, such as NFR5, NSP2, NIN, ERN1, and many other novel and/or functionally unknown genes. Gene ontology (GO) enrichment analysis of nod+ specific DEGs revealed 54 significantly enriched GO terms, including oxidation-reduction process, metabolic process, and catalytic activity. Genes related with plant defense systems, hormone biosynthesis and response were particularly enriched. To our knowledge, this is the first report revealing symbiosis-related genes in a genome-wide manner in peanut representative of the ‘crack entry’ species.
Disulfide isomerase-like protein AtPDIL1–2 is a good candidate for trichlorophenol phytodetoxification
Authors: Peng Ri-He , Qiu Jin , Tian Yong-Sheng , Gao Jian-jie , Han Hong-juan , Fu Xiao-Yan , Zhu Bo , Xu Jing , Wang Bo , Li Zhen-jun , Wang Li-juan , Yao Quan-Hong
Published: January 2017

Trichlorophenol (TCP) is a widely used and persistent environmentally toxic compound that poses a carcinogenic risk to humans. Phytoremediation is a proficient cleanup technology for organic pollutants. In this study, we found that the disulfide isomerase-like protein AtPDIL1–2 in plants is a good candidate for enhancing 2,4,6-TCP phytoremediation. The expression of AtPDIL1-2 in Arabidopsis was induced by 2,4,6-TCP. The heterologously expressed AtPDIL1-2 in Escherichia coli exhibited both oxidase and isomerase activities as protein disulfide isomerase and improved bacteria tolerance to 2,4,6-TCP. Further research revealed that transgenic tobacco overexpressing AtPDIL1-2 was more tolerant to high concentrations of 2,4,6-TCP and removed the toxic compound at far greater rates than the control plants. To elucidate the mechanism of action of AtPDIL1-2, we investigated the chemical interaction of AtPDIL1-2 with 2,4,6-TCP for the first time. HPLC analysis implied that AtPDIL1-2 exerts a TCP-binding activity. A suitable configuration of AtPDIL1-2-TCP binding was obtained by molecular docking studies using the AutoDock program. It predicted that the TCP binding site is located in the b-b′ domain of AtPDIL1-2 and that His254 of the protein is critical for the binding interaction. These findings imply that AtPDIL1-2 can be used for TCP detoxification by the way of overexpression in plants.
Biotic and abiotic factors investigated in two Drosophila species – evidence of both negative and positive effects of interactions on performance
Authors: Ørsted Michael , Schou Mads Fristrup , Kristensen Torsten Nygaard
Published: January 2017

Multiple environmental factors acting in concert can interact and strongly influence population fitness and ecosystem composition. Studies investigating interactions usually involve only two environmental factors; most frequently a chemical and another abiotic factor such as a stressful temperature. Here we investigate the effects of three environmental factors: temperature, an insecticide (dimethoate) and interspecific co-occurrence. We expose two naturally co-occurring species of Drosophila (D. hydei and D. melanogaster) to the different environments during development and examine the consequences on several performance measures. Results are highly species and trait specific with evidence of two- and three-way interactions in approximately 30% of all cases, suggesting that additive effects of combined environmental factors are most common, and that interactions are not universal. To provide more informative descriptions of complex interactions we implemented re-conceptualised definitions of synergism and antagonism. We found approximately equal proportions of synergistic and antagonistic interactions in both species, however the effects of interactions on performance differed between the two. Furthermore, we found negative impacts on performance in only 60% of interactions, thus our study also reveals a high proportion of cases with positive effects of interactions.
In ovo injection of betaine alleviates corticosterone-induced fatty liver in chickens through epigenetic modifications
Authors: Hu Yun , Sun Qinwei , Liu Jie , Jia Yimin , Cai Demin , Idriss Abdulrahman A. , Omer Nagmeldin A. , Zhao Ruqian
Published: January 2017

Betaine alleviates high-fat diet-induced fatty liver and prenatal betaine programs offspring hepatic lipid metabolism. Excessive corticosterone (CORT) exposure causes fatty liver in chickens, yet it remains unknown whether and how prenatal betaine modulates the susceptibility of CORT-induced fatty liver later in life. In this study, fertilized eggs were injected with saline or betaine before incubation, and the hatchlings were raised at 8 weeks of age followed by 7 days of subcutaneous CORT injection. CORT-induced fatty liver was less severe in betaine-treated chickens, with significantly reduced oil-red staining and hepatic triglyceride content (P < 0.05). The protective effect of prenatal betaine was associated with significantly up-regulated expression of PPARα and CPT1α, as well as mitochondrial DNA (mtDNA)-encoded genes (P < 0.05). Moreover, betaine rescued CORT-induced alterations in methionine cycle genes, which coincided with modifications of CpG methylation on CPT1α gene promoter and mtDNA D-loop regions. Furthermore, the elevation of hepatic GR protein content after CORT treatment was significantly reduced (P < 0.05), while the reduction of GR binding to the control region of affected genes was significantly increased (P < 0.05), in betaine-treated chickens. These results indicate that in ovo betaine injection protects the juvenile chickens from CORT-induced fatty liver.
Influence of coronary artery disease and subclinical atherosclerosis related polymorphisms on the risk of atherosclerosis in rheumatoid arthritis
Authors: López-Mejías Raquel , Corrales Alfonso , Vicente Esther , Robustillo-Villarino Montserrat , González-Juanatey Carlos , Llorca Javier , Genre Fernanda , Remuzgo-Martínez Sara , Dierssen-Sotos Trinidad , Miranda-Filloy José A. , Huaranga Marco A. Ramírez , Pina Trinitario , Blanco Ricardo , Alegre-Sancho Juan J. , Raya Enrique , Mijares Verónica , Ubilla Begoña , Ferraz-Amaro Iván , Gómez-Vaquero Carmen , Balsa Alejandro , López-Longo Francisco J. , Carreira Patricia , González-Álvaro Isidoro , Ocejo-Vinyals J. Gonzalo , Rodríguez-Rodríguez Luis , Fernández-Gutiérrez Benjamín , Castañeda Santos , Martín Javier , González-Gay Miguel A.
Published: January 2017

A genetic component influences the development of atherosclerosis in the general population and also in rheumatoid arthritis (RA). However, genetic polymorphisms associated with atherosclerosis in the general population are not always involved in the development of cardiovascular disease (CVD) in RA. Accordingly, a study in North-American RA patients did not show the association reported in the general population of coronary artery disease with a series of relevant polymorphisms (TCF21, LPA, HHIPL1, RASD1-PEMT, MRPS6, CYP17A1-CNNM2-NT5C2, SMG6-SRR, PHACTR1, WDR12 and COL4A1-COL4A2). In the present study, we assessed the potential association of these polymorphisms with CVD in Southern European RA patients. We also assessed if polymorphisms implicated in the increased risk of subclinical atherosclerosis in non-rheumatic Caucasians (ZHX2, PINX1, SLC17A4, LRIG1 and LDLR) may influence the risk for CVD in RA. 2,609 Spanish patients were genotyped by TaqMan assays. Subclinical atherosclerosis was determined in 1,258 of them by carotid ultrasonography (assessment of carotid intima media thickness and presence/absence of carotid plaques). No statistically significant differences were found when each polymorphism was assessed according to the presence/absence of cardiovascular events and subclinical atherosclerosis, after adjustment for potential confounder factors. Our results do not show an association between these 15 polymorphisms and atherosclerosis in RA.
Mapping Post-Glacial expansions: The Peopling of Southwest Asia
Authors: Platt Daniel E. , Haber Marc , Dagher-Kharrat Magda Bou , Douaihy Bouchra , Khazen Georges , Ashrafian Bonab Maziar , Salloum Angélique , Mouzaya Francis , Luiselli Donata , Tyler-Smith Chris , Renfrew Colin , Matisoo-Smith Elizabeth , Zalloua Pierre A.
Published: January 2017

Archaeological, palaeontological and geological evidence shows that post-glacial warming released human populations from their various climate-bound refugia. Yet specific connections between these refugia and the timing and routes of post-glacial migrations that ultimately established modern patterns of genetic variation remain elusive. Here, we use Y-chromosome markers combined with autosomal data to reconstruct population expansions from regional refugia in Southwest Asia. Populations from three regions in particular possess distinctive autosomal genetic signatures indicative of likely refugia: one, in the north, centered around the eastern coast of the Black Sea, the second, with a more Levantine focus, and the third in the southern Arabian Peninsula. Modern populations from these three regions carry the widest diversity and may indeed represent the most likely descendants of the populations responsible for the Neolithic cultures of Southwest Asia. We reveal the distinct and datable expansion routes of populations from these three refugia throughout Southwest Asia and into Europe and North Africa and discuss the possible correlations of these migrations to various cultural and climatic events evident in the archaeological record of the past 15,000 years.
Cartridge development for the solid extraction of phenolic compounds in cachaça samples
Authors: de Andrade Santana Débora , Costa Barreto Pedro Kaynnan , Filho Daniel Florêncio , Olímpio da Rocha Gisele
Published: January 2017

This study aimed to develop an analytical methodology using the extraction technique in solid phase for the analysis of phenolic compounds in cachaça samples and compare the developed cartridges with marketed cartridges.
A conjugate Lewis base-Brønsted acid catalyst for the sulfenylation of nitrogen containing heterocycles under mild conditions
Authors: Nalbandian Christopher J. , Miller Eric M. , Toenjes Sean T. , Gustafson Jeffery L.
Published: January 2017

A new Lewis base/Brønsted acid approach allows for the sulfenylation of N-heterocycles under exceedingly mild conditions.
Robust, double-shelled ZnGa2O4 hollow spheres for photocatalytic reduction of CO2 to methane
Authors: Zhang Yuan , Li Ping , Tang Lan-Qin , Li Yong-Qiang , Zhou Yong , Liu Jun-Ming , Zou Zhi-Gang
Published: January 2017

Robust, double-shelled ZnGa2O4 hollow spheres were fabricated for photocatalytic reduction of CO2 to methane.
Quantum chemical study and isothermal titration calorimetry of β-cyclodextrin complexes with mianserin in aqueous solution
Authors: Ignaczak Anna , Pałecz Bartłomiej , Belica-Pacha Sylwia
Published: January 2017

The structures, interaction energies and thermodynamics of the complex formation between mianserin (MIA) and β-cyclodextrin (β-CD) are investigated using computational methods and calorimetric measurements.
Controlling the folding of conjugated polymers at the single molecule level via hydrogen bonding
Authors: Shao Beiyue , Zhu Xinju , Plunkett Kyle N. , Vanden Bout David A.
Published: January 2017

In this manuscript, we report a design strategy to control polychromophore polymer folding at the single molecule level through hydrogen-bonding (H-bonding) interactions.
An amphiphilic poly(vinylidene fluoride)-b-poly(vinyl alcohol) block copolymer: synthesis and self-assembly in water
Authors: Guerre Marc , Schmidt Judith , Talmon Yeshayahu , Améduri Bruno , Ladmiral Vincent
Published: January 2017

This study is the first report of the synthesis and self-assembly in water of an amphiphilic PVDF-b-PVA block copolymer.
Effect of alkoxy-spacer length and solvent on diluted solutions of cationic isothiouronium polythiophenes
Authors: Domínguez S. E. , Meriläinen M. , Ääritalo T. , Damlin P. , Kvarnström C.
Published: January 2017

We present a study on two cationic isothiouronium polythiophenes with alkoxy chains of different length in the 3-position of the thiophene ring. The compounds were characterized using experimental and theoretical techniques.
Principles of 60S ribosomal subunit assembly emerging from recent studies in yeast
Authors: Konikkat Salini , Woolford, John L.
Published: January 2017

Ribosome biogenesis requires the intertwined processes of folding, modification, and processing of ribosomal RNA, together with binding of ribosomal proteins. In eukaryotic cells, ribosome assembly begins in the nucleolus, continues in the nucleoplasm, and is not completed until after nascent particles are exported to the cytoplasm. The efficiency and fidelity of ribosome biogenesis are facilitated by >200 assembly factors and ∼76 different small nucleolar RNAs. The pathway is driven forward by numerous remodeling events to rearrange the ribonucleoprotein architecture of pre-ribosomes. Here, we describe principles of ribosome assembly that have emerged from recent studies of biogenesis of the large ribosomal subunit in the yeast Saccharomyces cerevisiae. We describe tools that have empowered investigations of ribosome biogenesis, and then summarize recent discoveries about each of the consecutive steps of subunit assembly.
Calcium-mediated oxidative stress: a common mechanism in tight junction disruption by different types of cellular stress
Authors: Gangwar Ruchika , Meena Avtar S. , Shukla Pradeep K. , Nagaraja Archana S. , Dorniak Piotr L. , Pallikuth Sandeep , Waters Christopher M. , Sood Anil , Rao RadhaKrishna
Published: January 2017

The role of reactive oxygen species (ROS) in osmotic stress, dextran sulfate sodium (DSS) and cyclic stretch-induced tight junction (TJ) disruption was investigated in Caco-2 cell monolayers in vitro and restraint stress-induced barrier dysfunction in mouse colon in vivo. Live cell imaging showed that osmotic stress, cyclic stretch and DSS triggered rapid production of ROS in Caco-2 cell monolayers, which was blocked by depletion of intracellular Ca2+ by 1,2-bis-(o-aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid. Knockdown of CaV1.3 or TRPV6 channels blocked osmotic stress and DSS-induced ROS production and attenuated TJ disruption and barrier dysfunction. N-Acetyl l-cysteine (NAC) and l-NG-Nitroarginine methyl ester (l-NAME) blocked stress-induced TJ disruption and barrier dysfunction. NAC and l-NAME also blocked stress-induced activation of c-Jun N-terminal kinase (JNK) and c-Src. ROS was colocalized with the mitochondrial marker in stressed cells. Cyclosporin A blocked osmotic stress and DSS-induced ROS production, barrier dysfunction, TJ disruption and JNK activation. Mitochondria-targeted Mito-TEMPO blocked osmotic stress and DSS-induced barrier dysfunction and TJ disruption. Chronic restraint stress in mice resulted in the elevation of intracellular Ca2+, activation of JNK and c-Src, and disruption of TJ in the colonic epithelium. Furthermore, corticosterone administration induced JNK and c-Src activation, TJ disruption and protein thiol oxidation in colonic mucosa. The present study demonstrates that oxidative stress is a common signal in the mechanism of TJ disruption in the intestinal epithelium by different types of cellular stress in vitro and bio behavioral stress in vivo.
Esophageal Atresia with or without Tracheoesophageal Fistula (EA/TEF): Association of Different EA/TEF Subtypes with Specific Co-occurring Congenital Anomalies and Implications for Diagnostic Workup
Authors: Zwink Nadine , Chonitzki Vera , Hölscher Alice , Boemers Thomas , Münsterer Oliver , Kurz Ralf , Heydweiller Andreas , Pauly Marcus , Leutner Andreas , Ure Benno , Lacher Martin , Deffaa Oliver , Thiele Holger , Bagci Soyhan , Jenetzky Ekkehart , Schumacher Johannes , Reutter Heiko , Bogs Thomas
Published: January 2017

Background Esophageal atresia with or without tracheoesophageal fistula (EA/TEF) represents the most common developmental malformation of the upper digestive tract. It is classified into six subtypes according to the classification of Vogt, depending on anatomical variation of this malformation. Around 50% of the patients with EA/TEF present additional anomalies, which often influence, next to the EA/TEF subtype, the overall prognosis of EA/TEF newborns. Here, we investigated the association of the different EA/TEF subtypes with co-occurring congenital anomalies in EA/TEF patients and demonstrate their implications for postnatal diagnostic workup.

Materials and Methods We investigated 333 patients of a large German multicenter study born between 1980 and 2012. After evaluation of all available clinical records, 235 patients were included in our analysis. We compared our results with existing data.

Results The highest risk for co-occurring anomalies was seen in patients with most common Vogt 3b (p = 0.024), especially for additional gastrointestinal anomalies (p = 0.04). Co-occurring anomalies of the skin were significantly more common in patients with subtype Vogt 2 (p = 0.024). A significant correlation was observed for an impaired neurodevelopmental outcome and EA/TEF Vogt 3a (p = 0.041). Patients with EA/TEF showed a higher risk to present with any additional congenital anomaly compared with the general population (p < 0.001).

Conclusion Our results warrant thorough clinical workup for gastrointestinal anomalies especially in patients with Vogt 3b. Moreover, it might be necessary to focus on a thorough aftercare for neurocognitive development in patients with Vogt 3a. The here presented observations need to be confirmed by future studies.
Spacer-Based Gap Balancing in Total Knee Arthroplasty: Clinical Success with a Reproducible Technique
Authors: Lavoie Frédéric
Published: January 2017

Proper coronal and transverse ligament balancing is an important aspect of total knee arthroplasty (TKA) and has an impact on postoperative outcome. Many variations of the gap balancing technique were described to address this challenge, most of them using various tensioning devices, but none for which the use is widespread. The aim of this paper is to describe a gap technique variant for TKA using spacer blocks and report the clinical results for a cohort of patients on which it was used. A total of 114 TKAs were performed in 101 patients using a standardized surgical technique that integrates ligament balancing with sizing and positioning of the femoral component. Clinical variables were assessed preoperatively and after a mean follow-up of 43 months using the Knee Society score, the Knee injury and Osteoarthritis Outcome Score (KOOS), and the International Knee Documentation Committee (IKDC) score. A significant improvement in every clinical function score was noted at the latest follow-up compared with preoperative values. All the knees except four (96%) were well-balanced at the last follow-up examination; a firm but delayed end-point was noted in the remaining four knees but did not seem to affect patient outcome. The patellar button was centered in the prosthetic trochlear groove for all knees on the postoperative radiographs. Similar improvements in the scores and in range of motion were noted for knees with a preoperative coronal misalignment of 10 degrees or more (n = 26) compared with knees with less than 10 degrees of varus or valgus (n = 77). The described surgical technique appears to be reliable to obtain well-balanced knees and good patellar tracking when performing a primary TKA, even in knees with important coronal misalignment.
Determining energy barriers and selectivities of a multi-pathway system with infrequent metadynamics
Authors: Fu Christopher D. , Oliveira Luiz F. L. , Pfaendtner Jim
Published: January 2017

Estimating the transition rates and selectivity of multi-pathway systems with molecular dynamics simulations is expensive and often requires arduous sampling of many individual pathways. Developing a way to efficiently sample and characterize multi-pathway systems creates an opportunity to apply these tools to study systems that, previously, would have had a prohibitive computational cost. We present an approach that places quartic boundaries at the saddle points to isolate individual pathways without changing their observed rates, reducing the required number of events sampled and estimated rate uncertainty. In addition to rates, the selectivity between pathways is also accurately predicted as well. To further reduce the computational cost of the analysis, we have paired this approach with the infrequent metadynamics method. The method is demonstrated on model systems and stiffened alanine dipeptide. Furthermore, we present an appropriate method for recovering the energy barriers of specific transition paths by taking the slope of an Arrhenius plot generated from the infrequent metadynamics results at various temperatures. We also compare this method against another previously published literature to demonstrate its superior performance. In the future, these methods can be used in a variety of contexts where competing escape pathways with different barriers are relevant.
Probing defect states in polycrystalline GaN grown on Si(111) by sub-bandgap laser-excited scanning tunneling spectroscopy
Authors: Hsiao F.-M. , Schnedler M. , Portz V. , Huang Y.-C. , Huang B.-C. , Shih M.-C. , Chang C.-W. , Tu L.-W. , Eisele H. , Dunin-Borkowski R. E. , Ebert Ph. , Chiu Y.-P.
Published: January 2017

We demonstrate the potential of sub-bandgap laser-excited cross-sectional scanning tunneling microscopy and spectroscopy to investigate the presence of defect states in semiconductors. The characterization method is illustrated on GaN layers grown on Si(111) substrates without intentional buffer layers. According to high-resolution transmission electron microscopy and cathodoluminescence spectroscopy, the GaN layers consist of nanoscale wurtzite and zincblende crystallites with varying crystal orientations and hence contain high defect state densities. In order to discriminate between band-to-band excitation and defect state excitations, we use sub-bandgap laser excitation. We probe a clear increase in the tunnel current at positive sample voltages during sub-bandgap laser illumination for the GaN layer with high defect density, but no effect is found for high quality GaN epitaxial layers. This demonstrates the excitation of free charge carriers at defect states. Thus, sub-bandgap laser-excited scanning tunneling spectroscopy is a powerful complimentary characterization tool for defect states.
Propane decomposition and conversion into other hydrocarbons using metal target assisted laser induced plasma
Authors: Moosakhani A. , Parvin P. , Reyhani A. , Mortazavi S. Z.
Published: January 2017

It is shown that the propane molecules are strongly decomposed in the metal assisted laser induced plasma based on the nano-catalytic adsorption. A Q-Switched Nd:YAG laser is employed to irradiate the propane gas filled in the control chamber in the presence of the reactive metals such as Ni, Fe, Pd, and Cu in order to study the effect of catalysts during the decomposition. The catalytic targets simultaneously facilitate the plasma formation and the decomposition events leading to generate a wide distribution of the light and heavy hydrocarbon molecules, mainly due to the recombination processes. Fourier transform infrared spectroscopy and gas chromatography instruments support the findings by detecting the synthetic components. Furthermore, the optical emission spectroscopy of the laser induced plasma emissions realizes the real time monitoring of the reactions taking place during each laser shot. The subsequent recombination events give rise to the generation of a variety of the hydrocarbon molecules. The dissociation rate, conversion ratio, selectivity, and yield as well as the performance factor arise mainly from the catalytic effects of the metal species. Moreover, the ablation rate of the targets of interest is taken into account as a measure of the catalytic reactivity due to the abundance of the metal species ablated from the target. This leads to assess the better performance factor for Pd among four metal catalysts of interest during propane decomposition. Finally, the molecules such as ethane and ethylene are identified as the stable abundant species created during the successive molecular recombination processes.
Shock compression response of cold-rolled Ni/Al multilayer composites
Authors: Specht Paul E. , Weihs Timothy P. , Thadhani Naresh N.
Published: January 2017

Uniaxial strain, plate-on-plate impact experiments were performed on cold-rolled Ni/Al multilayer composites and the resulting Hugoniot was determined through time-resolved measurements combined with impedance matching. The experimental Hugoniot agreed with that previously predicted by two dimensional (2D) meso-scale calculations [Specht et al., J. Appl. Phys. 111, 073527 (2012)]. Additional 2D meso-scale simulations were performed using the same computational method as the prior study to reproduce the experimentally measured free surface velocities and stress profiles. These simulations accurately replicated the experimental profiles, providing additional validation for the previous computational work.
Tunable microbubble generator using electrolysis and ultrasound
Authors: Achaoui Younes , Metwally Khaled , Fouan Damien , Hammadi Zoubida , Morin Roger , Debieu Eric , Payan Cédric , Mensah Serge
Published: January 2017

This letter reports on a method for producing on demand calibrated bubbles in a non-chemically controlled solution using localized micro-electrolysis and ultrasound. Implementing a feedback loop in the process leads to a point source of stable mono-dispersed microbubbles. This approach overcomes the inertial constraints encountered in microfluidics with the possibility to produce from a single to an array of calibrated bubbles. Moreover, this method avoids the use of additional surfactant that may modify the composition of the host fluid. It impacts across a broad range of scientific domains from bioengineering, sensing to environment.
Vibrating sample magnetometer 2D and 3D magnetization effects associated with different initial magnetization states
Authors: Lukins Ronald E.
Published: January 2017

Differences in VSM magnetization vector rotation associated with various initial magnetization states were demonstrated. Procedures and criteria were developed to select sample orientation and initial magnetization states to allow for the combination of two different 2D measurements runs (with the same field profiles) to generate a dataset that can be representative of actual 3D magnetization rotation. Nickel, cast iron, and low moment magnetic tape media were used to demonstrate these effects using hysteresis and remanent magnetization test sequences. These results can be used to generate 2D and 3D magnetic properties to better characterize magnetic phenomena which are inherently three dimensional. Example applications are magnetic tape-head orientation sensitivity, reinterpretation of 3D coercivity and other standard magnetic properties, and multi-dimensional shielding effectiveness.