Search results for "Note"

showing 10 items of 10709 documents

Effect of structural parameters on the polarizabilities of methanol clusters: a hirshfeld study

2008

The polarizabilities of fifty methanol clusters (CH3OH)n, n = 1 to 12, were calculated at the B3LYP/6-311++G** level of theory and partitioned into molecular contributions using the Hirshfeld-I method. The resulting molecular polarizabilities were found to be determined by the polarizabilities of the two parts of the molecule, the hydrophilic hydroxyl group and the hydrophobic methyl group, each exhibiting a different dependency upon the local environment. The polarizability of the hydroxyl group was found to be dependent on the number, type, and strength of the hydrogen bonds a methanol molecule makes, whereas the polarizability of the methyl groups is mostly influenced by sterical hindran…

chemistry.chemical_compoundCrystallographychemistryHydrogen bondPolarizabilityGroup (periodic table)Local environmentMoleculeNanotechnologyMethanolPhysical and Theoretical ChemistryComputer Science ApplicationsMethyl groupJournal of chemical theory and computation
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Trapping and Immobilization of DNA Molecules Between Nanoelectrodes

2011

DNA is one of the most promising molecules for nanoscale bottom-up fabrication. For both scientific studies and fabrication of devices, it is desirable to be able to manipulate DNA molecules, or self--assembled DNA constructions, at the single unit level. Efficient methods are needed for precisely attaching the single unit to the external measurement setup or the device structure. So far, this has often been too cumbersome to achieve, and consequently most of the scientific studies are based on a statistical analysis or measurements done for a sample containing numerous molecules in liquid or in a dry state. Here, we explain a method for trapping and attaching nanoscale double-stranded DNA …

chemistry.chemical_compoundFabricationMaterials scienceNanostructurechemistryMoleculeDNA origamiNanotechnologyTrappingDielectrophoresisNanoscopic scaleDNA
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The Renaissance of the 68Ge/68Ga Radionuclide Generator Initiates New Developments in 68Ga Radiopharmaceutical Chemistry

2010

⁶⁸Ge/⁶⁸Ga radionuclide generators have been investigated for almost fifty years now, since the cyclotron-independent availability of positron emitting ⁶⁸Ga via the ⁶⁸Ge/⁶⁸Ga system had always attracted researches working in basic nuclear chemistry as well as radiopharmaceutical chemistry. However, it took decades and generations of research (and researchers) to finally approach a reliable level of ⁶⁸Ge/⁶⁸Ga generator designs, adequate to the modern requirements of radiometal labeling chemistry. ⁶⁸Ga radiopharmacy now is awaking from a sort of hibernation. The exciting perspective for the ⁶⁸Ge/⁶⁸Ga generator, now - more than ever, asks for systematic chemical, radiochemical, technological an…

chemistry.chemical_compoundGenerator (computer programming)chemistryDrug DiscoveryDOTAThe RenaissanceNanotechnologyGeneral MedicineRadionuclide GeneratorNuclear chemistryCurrent Topics in Medicinal Chemistry
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Modification of Materials by MeV Ion Beams

2005

Today's fast developing technological based society places ever accelerating demands for new materials and materials processing methods. Leading edge fields as diverse as biomedical tissue engineering, quantum device, optical and magnetic information storage technology as well as immobilization of actinides, all require nanoscale engineering through controlled materials modification. The evolution of these advances from the research science stage to the industrial applications is a particular challenging task. Amongst the beam processing methods for materials modification MeV ions occupy a unique place. They interact strongly with both the atomic and electronic structures of the target mate…

chemistry.chemical_compoundMaterials processingMaterials sciencechemistrySilicon carbideProcess controlNew materialsNanotechnologyBiomedical tissueBeam (structure)Magnetic fieldIon
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Self-Assembled DNA-Based Structures for Nanoelectronics

2023

Recent developments in structural DNA nanotechnology have made com-plex and spatially exactly controlled self-assembled DNA nanoarchitectureswidely accessible. The available methods enable large variety of differ-ent possible shapes combined with the possibility of using DNA structuresas templates for high-resolution patterning of nano-objects, thus openingup various opportunities for diverse nanotechnological applications. TheseDNA motifs possess enormous possibilities to be exploited in realization ofmolecular scale sensors and electronic devices, and thus, could enable fur-ther miniaturization of electronics. However, there are arguably two mainissues on making use of DNA-based electroni…

chemistry.chemical_compoundMaterials scienceDna nanostructureschemistryNanoelectronicslawNanoparticleNanotechnologyCarbon nanotubeSelf-assemblyDNASelf assembledlaw.inventionJournal of Self Assembly and Molecular Electronics
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NIR laser scanning microscopy for photophysical characterization of upconversion nanoparticles and nanohybrids

2021

Photophysical characterization of upconversion nanoparticles (UCNPs) and nanohybrids (UCNHs) is more challenging than that of down-conversion nanomaterials. Moreover, it is still difficult to gain knowledge about the homogeneity of the sample and colocalization of emissive chromophores and nanoparticles in nanohybrids. Near infrared laser scanning microscopy (NIR-LSM) is a well-known and useful imaging technique, which enables excitation in the NIR region and has been extensively applied to optical fluorescence imaging of organic fluorophores and nanomaterials, such as quantum dots, which exhibit a short-lived emission. NIR-LSM has recently been used to determine the empirical emission life…

chemistry.chemical_compoundMaterials scienceFluorophorechemistryQuantum dotColocalizationNanoparticleGeneral Materials ScienceNanotechnologyChromophoreNanomaterialsCharacterization (materials science)Scanning microscopyNanoscale
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Investigation of Charge-Transfer Interactions Induced by Encapsulating Fullerene in a Mesoporous Tetrathiafulvalene-Based Metal-Organic Framework

2019

<p>The design of Metal-Organic Frameworks (MOFs) incorporating electroactive guest molecules in the pores has become a subject of great interest in order to install additional electrical functionalities within the framework while maintaining porosity. In this direction, understanding the charge-transfer (CT) process between the framework and the guest molecules is crucial towards the design of new electroactive MOFs. Herein, we present the encapsulation of fullerenes (C<sub>60</sub>) in a mesoporous tetrathiafulvalene(TTF)-based MOF. The CT process between the electron-acceptor C<sub>60 </sub>guest and the electron-donor TTF ligand is studied in detail by means…

chemistry.chemical_compoundMaterials scienceFullerenechemistryMoleculeMetal-organic frameworkNanotechnologySorptionDensity functional theoryMesoporous materialPorosityTetrathiafulvalene
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Nanocomposite, an innovative route to large structure and infrastructure protection. A case of study: CNT-doped polyurea

2010

<p>In this work we focus on experimental studies of polymer-nanocomposites intended for passive protection of civil structures. The material consists of a polyurea-matrix enhanced by different quantities of multiwalled carbon nanotubes. Several tensile and cyclic tests are performed to evaluate and characterize the mechanical behaviour of this new material. Furthermore, we subject the material to accelerated thermal aging and study its performance deterioration which is fairly unknown. The results on the unaged specimens are intuitive and indicate that an arbitrary amount of CNTs may result in suboptimal performance. More specifically, 1% in weight of CNTs yields the best mechanical p…

chemistry.chemical_compoundMaterials scienceNanocompositechemistrynanomaterials carbon nanotubes polymer matrix composite materials polyurea accelerated aging thermal loadingDopingSettore ICAR/10 - Architettura TecnicaNanotechnologyComposite materialPolyurea
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Organic Field Effect Transistors: Noncovalent Functionalization and Passivation of Black Phosphorus with Optimized Perylene Diimides for Hybrid Field…

2020

chemistry.chemical_compoundMaterials sciencePassivationchemistryMechanics of MaterialsMechanical EngineeringSurface modificationField-effect transistorNanotechnologyBlack phosphorusPeryleneAdvanced Materials Interfaces
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Photoinduced Charge Separation of Self-Organized Semiconducting Superstructures Composed of a Functional Polymer-TiO2 Hybrid

2013

chemistry.chemical_compoundMaterials sciencePolymers and PlasticschemistryPhotoinduced charge separationOrganic ChemistryTitanium dioxideMaterials ChemistryCopolymerNanotechnologySelf-assemblyPhysical and Theoretical ChemistryCondensed Matter PhysicsMacromolecular Chemistry and Physics
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