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    AuthorSchwingenschlögl, Udo (25)Duarte, Carlos M. (16)Voolstra, Christian R. (12)Bajic, Vladimir B. (10)Irigoien, Xabier (10)View MoreDepartmentBiological and Environmental Sciences and Engineering (BESE) Division (129)Physical Sciences and Engineering (PSE) Division (99)Computer, Electrical and Mathematical Sciences and Engineering (CEMSE) Division (76)Materials Science and Engineering Program (62)Red Sea Research Center (RSRC) (59)View MoreJournal
    Scientific Reports (277)
    KAUST Acknowledged Support UnitBioscience Core Laboratory (3)Coastal and Marine Laboratory (2)Academic Writing (1)Competitive Research (1)Core Labs (1)View MoreKAUST Grant NumberBAS/1/1606-01-01 (3)BAS/1/1315-01-01 (2)BAS/1/1626-01-01 (2)FCC/1/1976-08-01 (2)FCS/1/3657-02-01 (2)View MorePublisherSpringer Nature (265)Springer Science and Business Media LLC (8)Cold Spring Harbor Laboratory (2)Nature Publishing Group (1)Nature Publishing GroupHoundmillsBasingstoke, HampshireRG21 6XS (1)Subjectchemistry (8)Computer Simulation (5)computer simulation (5)chemical model (4)genetics (4)View MoreTypeArticle (277)Year (Issue Date)2019 (24)2018 (40)2017 (51)2016 (68)2015 (40)View MoreItem Availability
    Open Access (277)

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    Environmental stress is the major cause of transcriptomic and proteomic changes in GM and non-GM plants

    Batista, Rita; Fonseca, Cátia; Planchon, Sébastien; Negrão, Sónia; Renaut, Jenny; Oliveira, M. Margarida (Scientific Reports, Springer Nature, 2017-08-31) [Article]
    The approval of genetically modified (GM) crops is preceded by years of intensive research to demonstrate safety to humans and environment. We recently showed that in vitro culture stress is the major factor influencing proteomic differences of GM vs. non-GM plants. This made us question the number of generations needed to erase such
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    Systematic Moiety Variations of Ultrashort Peptides Produce Profound Effects on Self-Assembly, Nanostructure Formation, Hydrogelation, and Phase Transition

    Chan, Kiat Hwa; Xue, Bo; Robinson, Robert C.; Hauser, Charlotte (Scientific Reports, Springer Nature, 2017-10-04) [Article]
    Self-assembly of small biomolecules is a prevalent phenomenon that is increasingly being recognised to hold the key to building complex structures from simple monomeric units. Small peptides, in particular ultrashort peptides containing up to seven amino acids, for which our laboratory has found many biomedical applications, exhibit immense potential in this regard. For next-generation applications, more intricate control is required over the self-assembly processes. We seek to find out how subtle moiety variation of peptides can affect self-assembly and nanostructure formation. To this end, we have selected a library of 54 tripeptides, derived from systematic moiety variations from seven tripeptides. Our study reveals that subtle structural changes in the tripeptides can exert profound effects on self-assembly, nanostructure formation, hydrogelation, and even phase transition of peptide nanostructures. By comparing the X-ray crystal structures of two tripeptides, acetylated leucine-leucine-glutamic acid (Ac-LLE) and acetylated tyrosine-leucine-aspartic acid (Ac-YLD), we obtained valuable insights into the structural factors that can influence the formation of supramolecular peptide structures. We believe that our results have major implications on the understanding of the factors that affect peptide self-assembly. In addition, our findings can potentially assist current computational efforts to predict and design self-assembling peptide systems for diverse biomedical applications.
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    A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    Ng, Kim Choon; Burhan, Muhammad; Shahzad, Muhammad Wakil; Ismail, Azahar Bin (Scientific Reports, Springer Nature, 2017-08-31) [Article]
    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.
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    Multiple stressor effects on marine infauna: responses of estuarine taxa and functional traits to sedimentation, nutrient and metal loading

    Ellis, Joanne; Clark, D.; Atalah, J.; Jiang, W.; Taiapa, C.; Patterson, M.; Sinner, J.; Hewitt, J. (Scientific Reports, Springer Nature, 2017-09-14) [Article]
    Sedimentation, nutrients and metal loading to coastal environments are increasing, associated with urbanization and global warming, hence there is a growing need to predict ecological responses to such change. Using a regression technique we predicted how maximum abundance of 20 macrobenthic taxa and 22 functional traits separately and interactively responded to these key stressors. The abundance of most taxa declined in response to sedimentation and metal loading while a unimodal response was often associated with nutrient loading. Optimum abundances for both taxa and traits occurred at relatively low stressor levels, highlighting the vulnerability of estuaries to increasing stressor loads. Individual taxa were more susceptible to stress than traits, suggesting that functional traits may be less sensitive for detecting changes in ecosystem health. Multiplicative effects were more common than additive interactions. The observed sensitivity of most taxa to increasing sedimentation and metal loading and the documented interaction effects between multiple stressors have important implications for understanding and managing the ecological consequences of eutrophication, sedimentation and contaminants on coastal ecosystems.
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    Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

    Schrittwieser, Stefan; Pelaz, Beatriz; Parak, Wolfgang J.; Lentijo Mozo, Sergio; Soulantica, Katerina; Dieckhoff, Jan; Ludwig, Frank; Schotter, Joerg (Scientific Reports, Springer Nature, 2017-06-30) [Article]
    Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.
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    Comparative analysis of the genomes of Stylophora pistillata and Acropora digitifera provides evidence for extensive differences between species of corals

    Voolstra, Christian R.; Li, Yong; Liew, Yi Jin; Baumgarten, Sebastian; Zoccola, Didier; Flot, Jean-François; Tambutté, Sylvie; Allemand, Denis; Aranda, Manuel (Scientific Reports, Springer Nature, 2017-12-08) [Article]
    Stony corals form the foundation of coral reef ecosystems. Their phylogeny is characterized by a deep evolutionary divergence that separates corals into a robust and complex clade dating back to at least 245 mya. However, the genomic consequences and clade-specific evolution remain unexplored. In this study we have produced the genome of a robust coral, Stylophora pistillata, and compared it to the available genome of a complex coral, Acropora digitifera. We conducted a fine-scale gene-based analysis focusing on ortholog groups. Among the core set of conserved proteins, we found an emphasis on processes related to the cnidarian-dinoflagellate symbiosis. Genes associated with the algal symbiosis were also independently expanded in both species, but both corals diverged on the identity of ortholog groups expanded, and we found uneven expansions in genes associated with innate immunity and stress response. Our analyses demonstrate that coral genomes can be surprisingly disparate. Future analyses incorporating more genomic data should be able to determine whether the patterns elucidated here are not only characteristic of the differences between S. pistillata and A. digitifera but also representative of corals from the robust and complex clade at large.
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    A preclinical model for identifying rats at risk of alcohol use disorder

    Jadhav, Kshitij S.; Magistretti, Pierre J.; Halfon, Olivier; Augsburger, Marc; Boutrel, Benjamin (Scientific Reports, Springer Nature, 2017-08-21) [Article]
    Alcohol use is one of the world's leading causes of death and disease, although only a small proportion of individuals develop persistent alcohol use disorder (AUD). The identification of vulnerable individuals prior to their chronic intoxication remains of highest importance. We propose here to adapt current methodologies for identifying rats at risk of losing control over alcohol intake by modeling diagnostic criteria for AUD: Inability to abstain during a signaled period of reward unavailability, increased motivation assessed in a progressive effortful task and persistent alcohol intake despite aversive foot shocks. Factor analysis showed that these three addiction criteria loaded on one underlying construct indicating that they represent a latent construct of addiction trait. Further, not only vulnerable rats displayed higher ethanol consumption, and higher preference for ethanol over sweetened solutions, but they also exhibited pre-existing higher anxiety as compared to resilient rats. In conclusion, the present preclinical model confirms that development of an addiction trait not only requires prolonged exposure to alcohol, but also depends on endophenotype like anxiety that predispose a minority of individuals to lose control over alcohol consumption.
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    Unravelling pathways downstream Sox6 induction in K562 erythroid cells by proteomic analysis

    Barbarani, Gloria; Ronchi, Antonella; Ruoppolo, Margherita; Santorelli, Lucia; Steinfelder, Robert; Elangovan, Sudharshan; Fugazza, Cristina; Caterino, Marianna (Scientific Reports, Springer Nature, 2017-10-20) [Article]
    The Sox6 transcription factor is crucial for terminal maturation of definitive red blood cells. Sox6-null mouse fetuses present misshapen and nucleated erythrocytes, due to impaired actin assembly and cytoskeleton stability. These defects are accompanied with a reduced survival of Sox6-/- red blood cells, resulting in a compensated anemia. Sox6-overexpression in K562 cells and in human primary ex vivo erythroid cultures enhances erythroid differentiation and leads to hemoglobinization, the hallmark of erythroid maturation. To obtain an overview on processes downstream to Sox6 expression, we performed a differential proteomic analysis on human erythroid K562 cells overexpressing Sox6. Sox6-overexpression induces dysregulation of 64 proteins, involved in cytoskeleton remodeling and in protein synthesis, folding and trafficking, key processes for erythroid maturation. Moreover, 43 out of 64 genes encoding for differentially expressed proteins contain within their proximal regulatory regions sites that are bound by SOX6 according to ENCODE ChIP-seq datasets and are possible direct SOX6 targets. SAR1B, one of the most induced proteins upon Sox6 overexpression, shares a conserved regulatory module, composed by a double SOX6 binding site and a GATA1 consensus, with the adjacent SEC24 A gene. Since both genes encode for COPII components, this element could concur to the coordinated expression of these proteins during erythropoiesis.
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    Asynchrony of wind and hydropower resources in Australia

    Gunturu, Udaya; Hallgren, Willow (Scientific Reports, Springer Nature, 2017-08-14) [Article]
    Wind and hydropower together constitute nearly 80% of the renewable capacity in Australia and their resources are collocated. We show that wind and hydro generation capacity factors covary negatively at the interannual time scales. Thus, the technology diversity mitigates the variability of renewable power generation at the interannual scales. The asynchrony of wind and hydropower resources is explained by the differential impact of the two modes of the El Ni˜no Southern Oscillation – canonical and Modoki – on the wind and hydro resources. Also, the Modoki El Ni˜no and the Modoki La Ni˜na phases have greater impact. The seasonal impact patterns corroborate these results. As the proportion of wind power increases in Australia’s energy mix, this negative covariation has implications for storage capacity of excess wind generation at short time scales and for generation system adequacy at the longer time scales.
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    DES-TOMATO: A Knowledge Exploration System Focused On Tomato Species

    Salhi, Adil; Negrão, Sónia; Essack, Magbubah; Morton, Mitchell J. L.; Bougouffa, Salim; Mohamad Razali, Rozaimi; Radovanovic, Aleksandar; Marchand, Benoit; Kulmanov, Maxat; Hoehndorf, Robert; Tester, Mark A.; Bajic, Vladimir B. (Scientific Reports, Springer Nature, 2017-07-14) [Article]
    Tomato is the most economically important horticultural crop used as a model to study plant biology and particularly fruit development. Knowledge obtained from tomato research initiated improvements in tomato and, being transferrable to other such economically important crops, has led to a surge of tomato-related research and published literature. We developed DES-TOMATO knowledgebase (KB) for exploration of information related to tomato. Information exploration is enabled through terms from 26 dictionaries and combination of these terms. To illustrate the utility of DES-TOMATO, we provide several examples how one can efficiently use this KB to retrieve known or potentially novel information. DES-TOMATO is free for academic and nonprofit users and can be accessed at http://cbrc.kaust.edu.sa/des_tomato/, using any of the mainstream web browsers, including Firefox, Safari and Chrome.
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