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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/29786905/quasi-3d-structured-interfaces-by-polymer-brushes
#2
REVIEW
Edmondo M Benetti
The fabrication of polymer brushes via surface-initiated controlled radical polymerizations has progressively developed beyond a simple surface functionalization technique, enabling the design of complex polymer interfaces with a quasi-3D molecular organization. The modulation of polymer brush structure has led to an extremely broad tuning potential for technologically relevant interfacial, physicochemical properties, allowing one to precisely tune swelling, nanomechanical, and nanotribological characteristics of polymer films...
May 22, 2018: Macromolecular Rapid Communications
https://www.readbyqxmd.com/read/29786902/engineered-metalloenzymes-with-non-canonical-coordination-environments
#3
Takahiro Hayashi, Donald Hilvert, Anthony P Green
Nature employs a limited number of genetically encoded, metal coordinating residues to create metalloenzymes with diverse structures and functions. Engineered components of the cellular translation machinery can now be exploited to genetically encode non-canonical ligands with user-defined electronic and structural properties. This ability to efficiently install 'chemically programmed' ligands into proteins can provide powerful chemical probes of metalloenzyme mechanisms and presents excellent opportunities to create metalloprotein catalysts with augmented properties and novel activities...
May 22, 2018: Chemistry: a European Journal
https://www.readbyqxmd.com/read/29786871/gender-specific-effects-of-selection-for-drinking-in-the-dark-on-the-network-roles-of-coding-and-non-coding-rnas
#4
Ovidiu Dan Iancu, Alex Colville, Beth Wilmot, Robert Searles, Priscila Darakjian, Christina Zheng, Shannon McWeeney, Sunita Kawane, John C Crabbe, Pamela Metten, Denesa Oberbeck, Robert Hitzemann
BACKGROUND: Transcriptional differences between Heterogeneous stock (HS/NPT) mice and High Drinking in the Dark (HDID) selected mouse lines have previously been described based on microarray technology coupled with network based analysis (Iancu et al., 2013b). The network changes were reproducible in two independent selections and largely confined to two distinct network modules; in contrast differential expression appeared more specific to each selected line. The current study extends these results by utilizing RNA-Seq technology, allowing evaluation of the relationship between genetic risk and transcription of non-coding RNA; we additionally evaluate sex-specific transcriptional effects of selection...
May 22, 2018: Alcoholism, Clinical and Experimental Research
https://www.readbyqxmd.com/read/29786858/ecosystem-heterogeneity-and-diversity-mitigate-amazon-forest-resilience-to-frequent-extreme-droughts
#5
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
#6
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/29786761/engineering-terpenoid-production-through-transient-expression-in-nicotiana-benthamiana
#7
REVIEW
James Reed, Anne Osbourn
Terpenoids are the most structurally diverse class of plant natural products with a huge range of commercial and medical applications. Exploiting this enormous potential has historically been hindered due to low levels of these compounds in their natural sources, making isolation difficult, while their structural complexity frequently makes synthetic chemistry approaches uneconomical. Engineering terpenoid biosynthesis in heterologous host production platforms provides a means to overcome these obstacles. In particular, plant-based production systems are attractive as they provide the compartmentalisation and cofactors necessary for the transfer of functional pathways from other plants...
May 21, 2018: Plant Cell Reports
https://www.readbyqxmd.com/read/29786739/synthesis-of-pure-silica-mfi-zeolites-using-imidazolium-based-long-dications-a-comparative-study-of-structure-directing-effects-derived-from-a-further-spacer-length-increase
#8
Peng Lu, Luis Gómez-Hortigüela, Miguel A Camblor
Length-dependent structure direction of linear methylimidazolium-based dications towards MFI zeolite, previously known only for the tetramethylene spacer, has also been found for octamethylene and decamethylene spacers. This works only under highly concentrated conditions, whereas dilution always tends to favor TON, a default structure that is the only zeolite obtained with the other reported dications (with tri-, penta-, and hexamethylene spacers). The locations and conformations of the dications have been studied by molecular mechanics simulations...
May 22, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
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
#9
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
#10
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/29786722/an-urchin-like-mgco-2-o-4-ppy-core-shell-composite-grown-on-ni-foam-for-a-high-performance-all-solid-state-asymmetric-supercapacitor
#11
Haiwen Gao, Xiaohong Wang, Ganghu Wang, Chen Hao, Saisai Zhou, Chengxiang Huang
In recent years, the electrochemical properties of supercapacitors have been greatly improved due to continuous improvement in their composite materials. In this study, an urchin-like MgCo2O4@PPy/NF (MgCo2O4@polypyrrole/Ni foam) core-shell structure composite material was successfully developed as an electrode for supercapacitors. The MCP-2 composite material, obtained by a hydrothermal method and in situ chemical oxidative polymerization, shows a high specific capacitance of 1079.6 F g-1 at a current density of 1 A g-1, which is much higher than that of MC (783...
May 22, 2018: Nanoscale
https://www.readbyqxmd.com/read/29786657/eukaryotic-translation-initiation-factor-4a-down-regulation-mediates-interleukin-24-induced-apoptosis-through-inhibition-of-translation
#12
Xuelin Zhong, Leah Persaud, Hilal Muharam, Ashleigh Francis, Dibash Das, Bertal Huseyin Aktas, Moira Sauane
Dysregulated activity of helicase eIF4A drives transformation to and maintenance of cancer cell phenotype by reprogramming cellular translation. Interleukin 24 (IL-24) is a tumor-suppressing protein, which has the ability to inhibit angiogenesis, sensitize cancer cells to chemotherapy, and induce cancer cell-specific apoptosis. In this study, we found that eIF4A is inhibited by IL-24. Consequently, selective reduction of translation was observed for mRNAs harboring strong secondary structures in their 5'-untranslated regions (5'UTRs)...
May 22, 2018: Cancers
https://www.readbyqxmd.com/read/29786655/bioactive-pyridone-alkaloids-from-a-deep-sea-derived-fungus-arthrinium-sp-ujnmf0008
#13
Jie Bao, Huijuan Zhai, Kongkai Zhu, Jin-Hai Yu, Yuying Zhang, Yinyin Wang, Cheng-Shi Jiang, Xiaoyong Zhang, Yun Zhang, Hua Zhang
Eight new 4-hydroxy-2-pyridone alkaloids arthpyrones D⁻K ( 1 ⁻ 8 ), along with two known analogues apiosporamide ( 9 ) and arthpyrone B ( 10 ), were isolated from a deep-sea-derived fungus Arthrinium sp. UJNMF0008. The structures of the isolated compounds were elucidated on the basis of spectroscopic methods with that of 1 being established by chemical transformation and X-ray diffraction analysis. Compounds 1 and 2 bore an ester functionality linking the pyridone and decalin moieties first reported in this class of metabolites, while 3 and 4 incorporated a rare natural hexa- or tetrahydrobenzofuro[3,2- c ]pyridin-3(2 H )-one motif...
May 22, 2018: Marine Drugs
https://www.readbyqxmd.com/read/29786608/microscopic-aspects-of-wetting-using-classical-density-functional-theory
#14
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
#15
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/29786594/-brain-microbleeds-definition-pathophysiology-and-the-consequences
#16
Marek Mazurek, Ewa Papuć, Konrad Rejdak
Brain microbleeds are defined as small, circular hypointense changes in T2-sequensec of brain MRI, well demarcated from the surrounding tissue. They represent the phagocytized products of blood distribution extravasated from pathologically altered vessels. The echo-T2-dependent gradient (GRE) and magnetic susceptibility testing (SWI) sequences are usually used to visualize them. The pathogenesis of microbleeds very complex but angiopathy associated with arterial hypertension and cerebral amyloid angiopathy play a special role...
2018: Wiadomości Lekarskie: Organ Polskiego Towarzystwa Lekarskiego
https://www.readbyqxmd.com/read/29786575/spatial-organization-of-the-excretory-ducts-and-sections-of-microcirculatory-blood-flow-of-the-labial-salivary-glands-in-older-adults
#17
Volodymyr H Hryn, Tamara F Deineha, Аndrij V Piliuhin, Anna V Lavrenko, Dmytro O Lavrenko
OBJECTIVE: Introduction: Salivary glands have a significant impact on the state of the homeostasis of the human body, oral cavity in particular, sensitively responding to pathological processes. The reactivity of the salivary glands in response to pathological processes that are organically linked to morphology and functions of the organ's structures, and particularly the excretory ducts of the glands and their microcirculatory blood flow, is one of the problems which have not been solved to date...
2018: Wiadomości Lekarskie: Organ Polskiego Towarzystwa Lekarskiego
https://www.readbyqxmd.com/read/29786573/analysis-of-electromyographic-indexes-of-temporal-and-masticatory-muscles-in-patients-with-distal-occlusion-complicated-by-dental-crowding
#18
Maryna I Dmytrenko
OBJECTIVE: Introduction: Rate of distal occlusion (up to 40%) and dental crowding (up to 65%) is the largest in the structure of orthodontic pathology. The aim of the study was to investigate bioelectrical activity of temporal and masticatory muscles and to set parameters of electromyographic indexes in patients with distal occlusion and dental crowding in permanent occlusion. PATIENTS AND METHODS: Materials and methods: Bioelectrical activity of temporal and masticatory muscles in 11 patients aged 16-24 years was determined before orthodontic treatment...
2018: Wiadomości Lekarskie: Organ Polskiego Towarzystwa Lekarskiego
https://www.readbyqxmd.com/read/29786552/intestinal-organoids-for-modelling-intestinal-development-and-disease
#19
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/29786475/connecting-structure-property-and-structure-function-relationships-across-the-disciplines-of-chemistry-and-biology-exploring-student-perceptions
#20
Kathryn P Kohn, Sonia M Underwood, Melanie M Cooper
While many university students take science courses in multiple disciplines, little is known about how they perceive common concepts from different disciplinary perspectives. Structure-property and structure-function relationships have long been considered important explanatory concepts in the disciplines of chemistry and biology, respectively. Fourteen university students concurrently enrolled in introductory chemistry and biology courses were interviewed to explore their perceptions regarding 1) the meaning of structure, properties, and function; 2) the presentation of these concepts in their courses; and 3) how these concepts might be related...
June 2018: CBE Life Sciences Education
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