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https://www.readbyqxmd.com/read/29786970/density-functional-theory-calculations-revealing-metal-like-band-structures-for-ultrathin-ge-111-and-211-surface-layers
#1
Chih-Shan Tan, Michael Hsuan-Yi Huang
To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band...
May 21, 2018: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29786858/ecosystem-heterogeneity-and-diversity-mitigate-amazon-forest-resilience-to-frequent-extreme-droughts
#2
Marcos Longo, Ryan G Knox, Naomi M Levine, Luciana F Alves, Damien Bonal, Plinio B Camargo, David R Fitzjarrald, Matthew N Hayek, Natalia Restrepo-Coupe, Scott R Saleska, Rodrigo da Silva, Scott C Stark, Raphael P Tapajós, Kenia T Wiedemann, Ke Zhang, Steven C Wofsy, Paul R Moorcroft
The impact of increases in drought frequency on the Amazon forest's composition, structure and functioning remain uncertain. We used a process- and individual-based ecosystem model (ED2) to quantify the forest's vulnerability to increased drought recurrence. We generated meteorologically realistic, drier-than-observed rainfall scenarios for two Amazon forest sites, Paracou (wetter) and Tapajós (drier), to evaluate the impacts of more frequent droughts on forest biomass, structure and composition. The wet site was insensitive to the tested scenarios, whereas at the dry site biomass declined when average rainfall reduction exceeded 15%, due to high mortality of large-sized evergreen trees...
May 22, 2018: New Phytologist
https://www.readbyqxmd.com/read/29786854/muffins-elaborated-with-optimized-monoglycerides-oleogels-from-solid-fat-replacer-obtention-to-product-quality-evaluation
#3
Anabella S Giacomozzi, María E Carrín, Camila A Palla
This study demonstrates the effectiveness of using oleogels from high oleic sunflower oil (HOSO) and monoglycerides as solid fat replacers in a sweet bakery product. Firstly, a methodology to obtain oleogels with desired properties based on mathematical models able to describe relationships between process and product characteristics variables followed by multi-objective optimization was applied. Later, muffins were prepared with the optimized oleogels and their physicochemical and textural properties were compared with those of muffins formulated using a commercial margarine (Control) or only HOSO...
May 22, 2018: Journal of Food Science
https://www.readbyqxmd.com/read/29786727/rational-design-of-multi-functional-gold-nanoparticles-with-controlled-biomolecule-adsorption-a-multi-method-approach-for-in-depth-characterization
#4
Isaac Ojea-Jiménez, Robin Capomaccio, Inês Osório, Dora Mehn, Giacomo Ceccone, Rohanah Hussain, Giuliano Siligardi, Pascal Colpo, François Rossi, Douglas Gilliland, Luigi Calzolai
Multi-functionalized nanoparticles are of great interest in biotechnology and biomedicine, especially for diagnostic and therapeutic purposes. However, at the moment the characterization of complex, multi-functional nanoparticles is still challenging and this hampers the development of advanced nanomaterials for biological applications. In this work, we have designed a model system consisting of gold nanoparticles functionalized with two differentially-terminated poly(ethylene oxide) ligands, providing both "stealth" properties and protein-binding capabilities to the nanoparticles...
May 22, 2018: Nanoscale
https://www.readbyqxmd.com/read/29786724/influence-of-a-nanoparticle-on-the-structure-and-dynamics-of-model-ionomer-melts
#5
Janani Sampath, Lisa M Hall
We simulate a single spherical nanoparticle (NP) surrounded by partially neutralized ionomers. The coarse-grained ionomers consist of a linear backbone of neutral monomer beads with charged pendant beads and counterions, along with pendant 'sticker' beads that represent unneutralized acid groups. Two different NP interactions are considered; one in which the NP interacts uniformly with all beads in the system (neutral NP) and another in which the NP has higher cohesive interactions with ions and stickers (sticky NP)...
May 22, 2018: Soft Matter
https://www.readbyqxmd.com/read/29786608/microscopic-aspects-of-wetting-using-classical-density-functional-theory
#6
Peter Yatsyshin, Miguel A Duran-Olivencia, Serafim Kalliadasis
Wetting is a rather efficient mechanism for nucleation of a phase (typically liquid) on the interface
 between two other phases (typically solid and gas). In many experimentally
 accessible cases of wetting, the interplay between the substrate structure,
 and the fluid-fluid and fluid-substrate intermolecular interactions brings
 about an entire ``zoo" of possible fluid configurations, such as liquid
 films with a thickness of a few nanometers, liquid nanodrops and liquid
 bridges...
May 22, 2018: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/29786607/pre-set-extrusion-bioprinting-for-multiscale-heterogeneous-tissue-structure-fabrication
#7
Donggu Kang, Geunseon Ahn, Donghwan Kim, Hyun-Wook Kang, Seokhwan Yun, Won-Soo Yun, Jin-Hyung Shim, Songwan Jin
Recent advances in three-dimensional (3D) bioprinting technology have led to various attempts in fabricating human tissue-like structures. However, current bioprinting technologies have limitations for creating native tissue-like structures. To resolve these issues, we developed a new pre-set extrusion bioprinting technique that can create heterogeneous, multicellular, and multimaterial structures simultaneously. The key to this ability lies in the use of a precursor cartridge that can stably preserve a multimaterial with a pre-defined configuration that can be simply embedded in a syringe-based printer head...
May 22, 2018: Biofabrication
https://www.readbyqxmd.com/read/29786552/intestinal-organoids-for-modelling-intestinal-development-and-disease
#8
REVIEW
Kathryn L Fair, Jennifer Colquhoun, Nicholas R F Hannan
Gastrointestinal diseases are becoming increasingly prevalent in developed countries. Immortalized cells and animal models have delivered important but limited insight into the mechanisms that initiate and propagate these diseases. Human-specific models of intestinal development and disease are desperately needed that can recapitulate structure and function of the gut in vitro Advances in pluripotent stem cells and primary tissue culture techniques have made it possible to culture intestinal epithelial cells in three dimensions that self-assemble to form 'intestinal organoids'...
July 5, 2018: Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences
https://www.readbyqxmd.com/read/29785835/predicting-the-ecological-impacts-of-large-dam-removals-on-a-river-network-based-on-habitat-network-structure-and-flow-regimes
#9
Nobuo Ishiyama, Masahiro Ryo, Taiga Kataoka, Shigeya Nagayama, Masanao Sueyoshi, Akira Terui, Terutaka Mori, Takumi Akasaka, Futoshi Nakamura
Large dams have provided vital protection and services to human life and the economy. However, an increasing number of large dams worldwide have aged considerably and have thus become hazardous due to impaired functions. The removal of large dams has excellent potential to restore habitat connectivity and flow regimes; therefore, projecting the related ecological consequences is a key emerging need for water resource and ecosystem management. However, no modeling methods are currently available for such projections at the basin scale...
May 22, 2018: Conservation Biology: the Journal of the Society for Conservation Biology
https://www.readbyqxmd.com/read/29785666/evaluation-of-ostarine-as-a-selective-androgen-receptor-modulator-in-a-rat-model-of-postmenopausal-osteoporosis
#10
D B Hoffmann, M Komrakova, S Pflug, M von Oertzen, D Saul, L Weiser, T A Walde, M Wassmann, A F Schilling, W Lehmann, S Sehmisch
Selective androgen receptor modulators (SARMs) have shown beneficial effects on muscle wasting, general physical function and bone properties in male mammals. However, data on the effects of SARMs in postmenopausal osteoporotic bone are scarce. We evaluated the effects of the SARM drug ostarine on postmenopausal osteoporotic bone in a rat osteoporosis model. Ovariectomy was performed on 46 of 56 3-month-old female Sprague-Dawley rats. Eight weeks after ovariectomy, ostarine was orally administered daily for 5 weeks in dosages of 0...
May 21, 2018: Journal of Bone and Mineral Metabolism
https://www.readbyqxmd.com/read/29785641/in-silico-analysis-of-natural-resistance-associated-macrophage-protein-nramp-family-of-transporters-in-rice
#11
Anitha Mani, Kavitha Sankaranarayanan
In Oryza sativa (rice) there are seven members in the NRAMP (natural resistance- associated macrophage protein) family of transporter proteins. They have been identified as OsNRAMP1, OsNRAMP2, OsNRAMP3, OsNRAMP4, OsNRAMP5, OsNRAMP6 and OsNRAMP7. Several metal ions like Zn2+ , Mn2+ , Fe2+ , Cd2+ etc. have been studied to be transported via NRAMP transporter proteins in rice plant. In spite of this, very little information is available regarding these transporters. Hence it is important to computationally predict and characterize the OsNRAMP family of transporters for studying and understanding their molecular insights in future studies...
May 21, 2018: Protein Journal
https://www.readbyqxmd.com/read/29785282/trabecular-architecture-in-the-sciuromorph-femoral-head-allometry-and-functional-adaptation
#12
Maja Mielke, Jan Wölfer, Patrick Arnold, Anneke H van Heteren, Eli Amson, John A Nyakatura
Background: Sciuromorpha (squirrels and close relatives) are diverse in terms of body size and locomotor behavior. Individual species are specialized to perform climbing, gliding or digging behavior, the latter being the result of multiple independent evolutionary acquisitions. Each lifestyle involves characteristic loading patterns acting on the bones of sciuromorphs. Trabecular bone, as part of the bone inner structure, adapts to such loading patterns. This network of thin bony struts is subject to bone modeling, and therefore reflects habitual loading throughout lifetime...
2018: Zoological Letters
https://www.readbyqxmd.com/read/29785227/alterations-in-the-three-components-of-selfhood-in-persons-with-post-traumatic-stress-disorder-symptoms-a-pilot-qeeg-neuroimaging-study
#13
Andrew A Fingelkurts, Alexander A Fingelkurts
Background and Objective: Understanding how trauma impacts the self-structure of individuals suffering from the Post-Traumatic Stress Disorder (PTSD) symptoms is a complex matter and despite several attempts to explain the relationship between trauma and the "Self", this issue still lacks clarity. Therefore, adopting a new theoretical perspective may help understand PTSD deeper and to shed light on the underlying psychophysiological mechanisms. Methods: In this study, we employed the "three-dimensional construct model of the experiential selfhood" where three major components of selfhood (phenomenal first-person agency, embodiment, and reflection/narration) are related to three Operational Modules (OMs) of the self-referential brain network...
2018: Open Neuroimaging Journal
https://www.readbyqxmd.com/read/29784955/integration-of-large-scale-data-for-extraction-of-integrated-arabidopsis-root-cell-type-specific-models
#14
Michael Scheunemann, Siobhan M Brady, Zoran Nikoloski
Plant organs consist of multiple cell types that do not operate in isolation, but communicate with each other to maintain proper functions. Here, we extract models specific to three developmental stages of eight root cell types or tissue layers in Arabidopsis thaliana based on a state-of-the-art constraint-based modeling approach with all publicly available transcriptomics and metabolomics data from this system to date. We integrate these models into a multi-cell root model which we investigate with respect to network structure, distribution of fluxes, and concordance to transcriptomics and proteomics data...
May 21, 2018: Scientific Reports
https://www.readbyqxmd.com/read/29784946/interpretable-dimensionality-reduction-of-single-cell-transcriptome-data-with-deep-generative-models
#15
Jiarui Ding, Anne Condon, Sohrab P Shah
Single-cell RNA-sequencing has great potential to discover cell types, identify cell states, trace development lineages, and reconstruct the spatial organization of cells. However, dimension reduction to interpret structure in single-cell sequencing data remains a challenge. Existing algorithms are either not able to uncover the clustering structures in the data or lose global information such as groups of clusters that are close to each other. We present a robust statistical model, scvis, to capture and visualize the low-dimensional structures in single-cell gene expression data...
May 21, 2018: Nature Communications
https://www.readbyqxmd.com/read/29784884/the-effector-gene-xopae-of-xanthomonas-euvesicatoria-85-10-is-part-of-an-operon-and-encodes-an-e3-ubiquitin-ligase
#16
Georgy Popov, Bharat Bhusan Majhi, Guido Sessa
The type III effector XopAE from the Xanthomonas euvesicatoria strain 85-10 ( Xe 85-10) was previously shown to inhibit plant immunity and enhance pathogen-induced disease symptoms. Evolutionary analysis of 60 xopAE alleles ( AEal ) revealed that the xopAE locus is conserved in multiple Xanthomonas species. The majority of xopAE alleles (55 out of 60) encodes a single ORF ( xopAE ), while in 5 alleles, including AEal 37 of the Xe 85-10 strain, a frame-shift splits the locus into two ORFs ( hpaF and a truncated xopAE )...
May 21, 2018: Journal of Bacteriology
https://www.readbyqxmd.com/read/29784878/oxidative-decarboxylation-of-pyruvate-by-1-deoxy-d-xyulose-5-phosphate-synthase-a-central-metabolic-enzyme-in-bacteria
#17
Alicia A DeColli, Natasha S Nemeria, Ananya Majumdar, Gary J Gerfen, Frank Jordan, Caren L Freel Meyers
The underexploited antibacterial target 1-deoxy-D-xyluose 5-phosphate (DXP) synthase, catalyzes the thiamin diphosphate (ThDP)-dependent formation of DXP from pyruvate and D-glyceraldehyde 3-phosphate (D-GAP). DXP is an essential intermediate in the biosynthesis of ThDP, pyridoxal phosphate, and isoprenoids in many pathogenic bacteria. DXP synthase catalyzes a distinct mechanism in ThDP decarboxylative enzymology in which the first enzyme-bound pre-decarboxylation intermediate, C2α-lactylThDP (LThDP), is stabilized by DXP synthase in the absence of D-GAP, and D-GAP then induces efficient LThDP decarboxylation...
May 21, 2018: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/29784657/autism-spectrum-disorder-advances-in-diagnosis-and-evaluation
#18
REVIEW
Lonnie Zwaigenbaum, Melanie Penner
Autism spectrum disorder (ASD) has a variety of causes, and its clinical expression is generally associated with substantial disability throughout the lifespan. Recent advances have led to earlier diagnosis, and deep phenotyping efforts focused on high risk infants have helped advance the characterization of early behavioral trajectories. Moreover, biomarkers that measure early structural and functional connectivity, visual orienting, and other biological processes have shown promise in detecting the risk of autism spectrum disorder even before the emergence of overt behavioral symptoms...
May 21, 2018: BMJ: British Medical Journal
https://www.readbyqxmd.com/read/29784617/evolution-of-echocardiographic-measures-of-cardiac-disease-from-ckd-to-esrd-and-risk-of-all-cause-mortality-findings-from-the-cric-study
#19
Nisha Bansal, Jason Roy, Hsiang-Yu Chen, Rajat Deo, Mirela Dobre, Michael J Fischer, Elyse Foster, Alan S Go, Jiang He, Martin G Keane, John W Kusek, Emile Mohler, Sankar D Navaneethan, Mahboob Rahman, Chi-Yuan Hsu
RATIONALE & OBJECTIVE: Abnormal cardiac structure and function are common in chronic kidney disease (CKD) and end-stage renal disease (ESRD) and linked with mortality and heart failure. We examined changes in echocardiographic measures during the transition from CKD to ESRD and their associations with post-ESRD mortality. STUDY DESIGN: Prospective study. SETTING & PARTICIPANTS: We studied 417 participants with CKD in the Chronic Renal Insufficiency Cohort (CRIC) who had research echocardiograms during CKD and ESRD...
May 18, 2018: American Journal of Kidney Diseases: the Official Journal of the National Kidney Foundation
https://www.readbyqxmd.com/read/29784056/biomarker-micrornas-for-prostate-cancer-metastasis-screened-with-a-network-vulnerability-analysis-model
#20
Yuxin Lin, Feifei Chen, Li Shen, Xiaoyu Tang, Cui Du, Zhandong Sun, Huijie Ding, Jiajia Chen, Bairong Shen
BACKGROUND: Prostate cancer (PCa) is a fatal malignant tumor among males in the world and the metastasis is a leading cause for PCa death. Biomarkers are therefore urgently needed to detect PCa metastatic signature at the early time. MicroRNAs are small non-coding RNAs with the potential to be biomarkers for disease prediction. In addition, computer-aided biomarker discovery is now becoming an attractive paradigm for precision diagnosis and prognosis of complex diseases. METHODS: In this study, we identified key microRNAs as biomarkers for predicting PCa metastasis based on network vulnerability analysis...
May 21, 2018: Journal of Translational Medicine
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