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Exploring the Structure Space of Wildtype Ras Guided by Experimental Data

Rudy Clausen、Amarda Shehu2013-09-22OpenAlex

The Ras enzyme mediates critical signaling pathways in cell proliferation and development by transitioning between GTP- (active) and GDP-bound (inactive) states. Many cancers are linked to specific Ras mutations affecting its conformational switching between active and inactive states. A detailed understanding of the…

Protein Kinase Regulation and GTPase SignalingComputational Drug Discovery MethodsEnzyme Structure and Function

ADEQUAÇÃO DOS MODELOS DE LANGMUIR E FREUNDLICH NA ADSORÇÃO DE COBRE EM SOLO ARGILOSO DO SUL DO BRASIL

Morgana Suszek Gonçalves、João Paulo Bettin、Luiz Carlos Santos da Silva 等 5 位作者2013-09-22Holos

Os estudos da capacidade de adsorção de metais pesados em um solo podem ser empregados para avaliar a contribuição deste na contaminação de águas superficiais e subterrâneas. Este trabalho teve por objetivo estudar a adequação dos modelos de Langmuir e de Freundlich para descrever a adsorção de cobre em Latossolo Verm…

Adsorption and biosorption for pollutant removalClay minerals and soil interactionsIron oxide chemistry and applications

MEGADOCK-GPU

Takehiro Shimoda、Takashi Ishida、Shuji Suzuki 等 5 位作者2013-09-22OpenAlex

Protein-protein docking is a method for predicting the protein complex structure from monomeric protein structures. Because protein structural information has been increased and the application field has been expanded to more difficult ones such as interactome prediction, a faster protein-protein docking method has be…

Protein Structure and DynamicsBioinformatics and Genomic NetworksEnzyme Structure and Function

Multi-Resolution Rigidity-Based Sampling of Protein Conformational Paths

Dong Luo、Nurit Haspel2013-09-22OpenAlex

We present a geometry-based, sampling based method to explore conformational pathways in medium and large proteins which undergo large-scale conformational transitions. In a past work we developed a coarse-grained geometry-based method that was able to trace large-scale conformational motions in proteins using residue…

Protein Structure and DynamicsGlycosylation and Glycoproteins ResearchEnzyme Structure and Function

An Evolutionary Conservation & Rigidity Analysis Machine Learning Approach for Detecting Critical Protein Residues

Filip Jagodzinski、Bahar Akbal-Delibas、Nurit Haspel2013-09-22OpenAlex

In proteins, certain amino acids may play a critical role in determining their structure and function. Examples include flexible regions which allow domain motions, and highly conserved residues on functional interfaces which play a role in binding and interaction with other proteins. Detecting these regions facilitat…

Protein Structure and DynamicsMicrobial Metabolic Engineering and BioproductionEnzyme Structure and Function

Encapsulation of a Biobased Lignin–Saponite Nanohybrid into Polystyrene Co-Butyl Acrylate (PSBA) Latex via Miniemulsion Polymerization

Suguna Jairam、Zhaohui Tong、Letian Wang 等 4 位作者2013-09-22ACS Sustainable Chemistry & Engineering

In this study, lignin recovered from a biorefinery waste stream was used to modify a clay saponite to form a lignin–clay nanohybrid. Approximately 32 wt % of lignin was associated into a lignin–clay nanohybrid, which could be well dispersed into an organophilic monomer phase. This nanohybrid was then encapsulated into…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingLignin and Wood Chemistry

Biomedical Applications of Clay

Wojciech Chrzanowski、Sally Yunsun Kim、Ensanya Ali Abou Neel2013-09-22Australian Journal of Chemistry

Traditional applications of clay mineral mainly revolved around cosmetics and industrial products, but their scope of application is continuously expanding into pharmaceutics including drug delivery and tissue engineering. The interest in clays amongst the scientific community has increased dramatically in recent year…

Hydrogels: synthesis, properties, applicationsClay minerals and soil interactionsTherapeutic Uses of Natural Elements

Beta-sheet Detection and Representation from Medium Resolution Cryo-EM Density Maps

Dong Si、Jing He2013-09-22OpenAlex

Secondary structure element (SSE) identification from volumetric protein density maps is critical for de-novo backbone structure derivation in electron cryo-microscopy (cryoEM). Although multiple methods have been developed to detect SSE from the density maps, accurate detection either need use intervention or careful…

Advanced Electron Microscopy Techniques and ApplicationsEnzyme Structure and FunctionElectron and X-Ray Spectroscopy Techniques

Multi-Objective Stochastic Search for Sampling Local Minima in the Protein Energy Surface

Brian Olson、Amarda Shehu2013-09-22OpenAlex

We present an evolutionary stochastic search algorithm to obtain a discrete representation of the protein energy surface in terms of an ensemble of conformations representing local minima. This objective is of primary importance in protein structure modeling, whether the goal is to obtain a broad view of potentially d…

Protein Structure and DynamicsRNA and protein synthesis mechanismsEnzyme Structure and Function

Influence of calcination temperature on the morphology and energy storage properties of cobalt oxide nanostructures directly grown over carbon cloth substrates

R.B. Rakhi、Wei Chen、Dongkyu Cha 等 4 位作者2013-09-22Materials for Renewable and Sustainable Energy

Nanostructured and mesoporous cobalt oxide (Co3O4) nanowire in flower-like arrangements have been directly grown over flexible carbon cloth collectors using solvothermal synthesis for supercapacitor applications. Changes in the morphology and porosity of the nanowire assemblies have been induced by manipulating the ca…

Electrocatalysts for Energy ConversionSupercapacitor Materials and FabricationAdvanced battery technologies research

From Graphitic Ordering to Magnetic Nanoparticle Integration

Abderrahmen Zehioua2013-09-21Figshare

AbstractThe structural evolution of multi-walled carbon nanotubes (MWCNTs) following magnetic nanoparticle incorporation represents a critical stage in the development of functional carbon-based nanocomposites. Understanding how magnetic phases interact with graphitic nanotube architectures is essential for optimizing…

Carbon Nanotubes in CompositesGraphene research and applicationsFiber-reinforced polymer composites

Étude des phénomènes d'instabilités en présence d'une suspension dans l'écoulement de Taylor-Dean

Ahmed Daimallah2013-09-21OpenAlex

La résolution analytique du problème de la stabilité d’une suspension solide (particules rigides de forme sphérique) dans le système de Taylor-Couette cylindrique a été menée. On s’est basé sur les travaux de Ali and Lueptow (2002) pour formuler les équations régissant la stabilité de l’écoulement dans le cadre d’une…

Material Dynamics and PropertiesNonlinear Dynamics and Pattern FormationFluid Dynamics and Thin Films

Tracking the formation of vaterite particles containing aminopropyl-functionalized silsesquioxane and their structure for bone regenerative medicine

Poologasundarampilla, Gowsihan、Nakamura, Jin、Poologasundarampillai, Gowsihan 等 5 位作者2013-09-21Research Explorer (The University of Manchester)

Vaterite particles containing aminopropyl-functionalized silsesquioxane (SiV) were prepared as osteogenic devices for bone regeneration. The Si xV particles (x = 0, 2.6 and 4.9 wt%) were synthesized by reacting a slurry of calcium hydroxide with carbon dioxide gas in the presence of γ-aminopropyltriethoxysilane (APTES…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionSilicone and Siloxane Chemistry

Development of Pulsating Tubules with Chiral Inversion

Myongsoo Lee2013-09-21OpenAlex

Abstract : Stimuli responsive nanostructures constructed from rigid-flexible block molecules hold great promise for fabrication of intelligent nanodevices, nanoelectronics, and nanobiomaterials. One typical feature of rod amphiphiles is their unique anisotropic molecular shape and strong aggregation tendency through p…

Supramolecular Chemistry and ComplexesChemical Synthesis and AnalysisSupramolecular Self-Assembly in Materials

微小腫瘍検出のための長時間血中滞留型ポリイオンコンプレックス中空ナノ粒子SPIO-Cy5-PICsomeの開発

國領 大介、安楽 泰孝、岸村 顕広 等 8 位作者2013-09-21QST-Repository (National Institutes for Quantum and Radiological Science and Technology)

【背景・目的】近年、高分子化学およびナノ粒子技術の発展により、病巣への標的化技術が発展してきた。本研究では、微小腫瘍の検出を目指し、長い血中滞留性および腫瘍への受動的集積性を有する中空ナノ粒子PICsome (Anraku et al: Chem Comm. 2011、他) に、臨床でも使用され高い造影効果を持つ超常磁性酸化鉄微粒子 (SPIO) を封入したSPIO-Cy5-PICsomeを開発し、腫瘍集積性と微小腫瘍検出に関する評価を行った。【対象・方法】SPIO-Cy5-PICsomeは、電荷の異なる2種類の高分子により形成されたPICsome内に、SPIO (Resovist®、 富士フィルムRIファーマ)を封入したナノ粒子…

Nanoparticle-Based Drug DeliveryAdvanced biosensing and bioanalysis techniquesCharacterization and Applications of Magnetic Nanoparticles

Efficiency of electrical manipulation on two-dimensional topological insulators

Mi Pang、Xiao-Chuan Wu2013-09-21arXiv (Cornell University)

We investigate the efficiency of electrical manipulation on two-dimensional topological insulators by considering a lateral potential superlattice on the system. The electronic states under various conditions are examined carefully. It is found that the dispersion of the mini-band and the electron distribution in the…

Graphene research and applicationsQuantum and electron transport phenomenaTopological Materials and Phenomena

OBSERVATION NQR IN THERMOMETRIC SUBSTANCE Cu2 O

Л. Ф. Політанський、Andrii Samila、Віктор Олександрович Хандожко2013-09-21Sensor Electronics and Microsystem Technologies

We investigated the cuprous oxide (Cu2 O), which is a promising material for use in NQR - thermometers and pressure meters. Recordings were conducted using continuous wave marginal oscillator with Zeeman modulation method. Minimum weight substances that observed with good signal / noise ratio was about 200 mg.

Nonlinear Optical Materials ResearchOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

"Pourquoi le graphène est-il si étonnant ?" par le Dr Mae-Wan Ho – ISIAS

Ho Dr Mae-Wan2013-09-21OpenAlex

ISIS Graphene Physique Chimie Pourquoi le graphene est-il si etonnant ? Why Graphene is Amazing La structure electronique inhabituelle de graphene permet de produire des effets quantiques coherents remarquables, meme a la temperature ambiante : ce materieu ouvre la porte a de nouvelles applications dans l'electronique…

Graphene research and applications

([eta]5-Indenyl)bis([eta]2-ethylene)iridium(I)

Joseph S. Merola2013-09-21VTechWorks (Virginia Tech)

The asymmetric unit of the title compound, [Ir(C9H7)(C2H4)2], consists of two independent molecules. The bonding between iridium and the five-membered ring of the indenyl ligand shows the usual asymmetry associated with the typical ring slippage responsible for the enhanced activity of indenyl metal compounds when com…

Organometallic Complex Synthesis and CatalysisOrganic Light-Emitting Diodes ResearchLanthanide and Transition Metal Complexes