Effect of proton irradiation on photoluminescent properties of PDMS-nanodiamond composites

Pure poly(dimethylsiloxane) (PDMS) films, PDMS-nanodiamond (ND) and pure nanodiamond powder were irradiated with 2?MeV protons under a variety of fluence and current conditions. Upon proton irradiation, these samples acquire a fluence-dependent photoluminescence (PL). The emission and excitation spectra, photostability and emission lifetime of the induced photoluminescence of PDMS and PDMS-ND samples are reported. Pure PDMS exhibits a noticeable stable blue PL, while the PDMS-ND composites exhibit a pronounced stable green PL under 425?nm excitation. The PL of PDMS-ND composites is much more prominent than that of pure PDMS or pure ND powder even when irradiated at higher doses. The origin of the significantly enhanced PL intensity for the proton-irradiated PDMS-ND composite is explained by the combination of enhanced intrinsic PL within ND particles due to ion-implantation-generated defects and by PL originating from structural transformations produced by protons at the nanodiamond/matrix interface.     

Workshop on Measurement Needs for Local-Structure Determination in Inorganic Materials

The functional responses (e.g., dielectric, magnetic, catalytic, etc.) of many industrially-relevant materials are controlled by their local structure—a term that refers to the atomic arrangements on a scale ranging from atomic (sub-nanometer) to several nanometers. Thus, accurate knowledge of local structure is central to understanding the properties of nanostructured materials, thereby placing the problem of determining atomic positions on the nanoscale—the so-called “nanostructure problem”—at the center of modern materials development. Today, multiple experimental techniques exist for probing local atomic arrangements; nonetheless, finding accurate comprehensive, and robust structural solutions for the nanostructured materials still remains a formidable challenge because any one of these methods yields only a partial view of the local structure. The primary goal of this 2-day NIST-sponsored workshop was to bring together experts in the key experimental and theoretical areas relevant to local-structure determination to devise a strategy for the collaborative effort required to develop a comprehensive measurement solution on the local scale. The participants unanimously agreed that solving the nanostructure problem—an ultimate frontier in materials characterization—necessitates a coordinated interdisciplinary effort that transcends the existing capabilities of any single institution, including national laboratories, centers, and user facilities. The discussions converged on an institute dedicated to local structure determination as the most viable organizational platform for successfully addressing the nanostructure problem. The proposed “institute” would provide an intellectual infrastructure for local structure determination by (1) developing and maintaining relevant computer software integrated in an open-source global optimization framework (Fig. 2), (2) connecting industrial and academic users with experts in measurement techniques, (3) developing and maintaining pertinent databases, and (4) providing necessary education and training.Open in a separate windowFig. 2A schematic representation of the complex modeling idea: integration of combined inputs from multiple experimental techniques and theory into the global optimization framework [Billinge and Levin, unpublished]. In this concept, the structural model evolves toward the correct solution as more data is provided for the fit.     

Structurally ordered mesoporous carbon nanoparticles as transmembrane delivery vehicle in human cancer cells

A structurally ordered, CMK-1 type mesoporous carbon nanoparticle (MCN) material was successfully synthesized by using a MCM-48 type mesoporous silica nanoparticle as template. The structure of MCN was analyzed by a series of different techniques, including the scanning and transmission electron microscopy, powder X-ray diffraction, and N2 sorption analysis. To the best of our knowledge, no study has been reported prior to our investigation on the utilization of these structurally ordered mesoporous carbon nanoparticles for the delivery of membrane impermeable chemical agents inside of eukaryotic cells. The cellular uptake efficiency and biocompatibility of MCN with human cervical cancer cells (HeLa) were investigated. Our results show that the inhibitory concentration (IC50) value of MCN is very high (>50 microg/mL per million cells) indicating that MCN is fairly biocompatible in vitro. Also, a membrane impermeable fluorescence dye, Fura-2, was loaded to the mesoporous matrix of MCN. We demonstrated that the MCN material could indeed serve as a transmembrane carrier for delivering Fura-2 through the cell membrane to release these molecules inside of live HeLa cells. We envision that further developments of this MCN material will lead to a new generation of nanodevices for transmembrane delivery and intracellular release applications.     

Solution NMR studies of an intrinsically unstructured protein within a dilute, 75 kDa eukaryotic protein assembly; probing the practical limits for efficiently assigning polypeptide backbone resonances

This paper describes an efficient NMR strategy for assigning the backbone resonances of an intrinsically unstructured protein (IUP), p21-KID, bound to its biological target, Cdk2/cyclin A. In order to overcome the challenges associated with the high molecular weight (75 kDa) and low solubility of the ternary complex (0.2 mM), we used perdeuteration, TROSY, and high-sensitivity cryogenic NMR probes at high magnetic-field strengths (i.e. 16.4, 18.8 and 21.1 Tesla). p21-KID was also prepared by using specific amino acid isotope labels. Most importantly, we studied binary, subcomplexes that allowed resonance assignments to be made in stages. We show that subdomains of p21-KID folded within binary complexes into the same conformations as observed in the ternary, Cdk2/cyclin A complex. This is a general feature of IUPs, which often adopt highly extended conformations when bound to other proteins. This strategy is suitable for studies of IUPs within considerably larger biomolecular assemblies as long as the IUP can be uniformly and selectively isotope labeled.     

Engineering and functional immobilization of opioid receptors

Opioid receptors, like many G protein-coupled receptors (GPCRs), are notoriously unstable in detergents. We have now developed a more stable variant of the mu-opioid receptor (MOR) and also a method for the immobilization of solubilized, functional opioid receptors on a solid phase (magnetic beads). Starting with the intrinsically more stable kappa-opioid receptor (KOR), we optimized the conditions (i.e. detergents and stabilizing ligands) for receptor extraction from lipid bilayers of HEK293T cells to obtain maximal amounts of functional, immobilized receptor. After immobilization, the ligand binding profile remains the same as observed for the membrane-embedded receptor. For the immobilized wild-type mu-opioid receptor, however, no conditions were found under which ligand binding capacity was retained. To solve this problem, we engineered the receptor chimera KKM where the N-terminus and the first transmembrane helix (TM1) of wild-type MOR is exchanged for the homologous receptor parts of the wild-type KOR. This hybrid receptor behaves exactly as the wild-type MOR in functional assays. Interestingly, the modified MOR is expressed at six times higher levels than wild-type MOR and is similarly stable as wild-type KOR after immobilization. Hence the immobilized MOR, represented by the chimera KKM, is now also amenable for biophysical characterization. These results are encouraging for future stability engineering of GPCRs.     

On the Laplace transform of a matrix of fundamental solutions for thermoelastic plates

The Laplace transform of a matrix D(x,t) of fundamental solutions for the partial differential operator describing the time-dependent bending of thermoelastic plates with transverse shear deformation is constructed, and its asymptotic behavior near the origin is investigated. The differential system is reduced to an algebraic one through the application of the Laplace and then Fourier transformations, and all possible cases of roots of the determinant of the latter system are considered. It is shown that in every case, the asymptotic expansion of near the origin has the same dominant term. This is an important step in the construction of boundary-element methods for the above time-dependent model because it determines the nature of the singularity of the kernel of the boundary-integral-equations associated with various initial-boundary-value problems for the governing system.     

Efficient recovery of CO2 from flue gas by clathrate hydrate formation in porous silica gels

Thermodynamic measurements and NMR spectroscopic analysis were used to show that it is possible to recover CO2 from flue gas by forming a mixed hydrate that removes CO2 preferentially from CO2/N2 gas mixtures using water dispersed in the pores of silica gel. Kinetic studies with 1H NMR microimaging showed that the dispersed water in the silica gel pore system reacts readily with the gas, thus obviating the need for a stirred reactor and excess water. Hydrate phase equilibria for the ternary CO2-N2-water system in silica gel pores were measured, which show that the three-phase hydrate-water-rich liquid-vapor equilibrium curves were shifted to higher pressures at a specific temperature when the concentration of CO2 in the vapor phase decreased. 13C cross-polarization NMR spectral analysis and direct measurement of the CO2 content in the hydrate phase suggested that the mixed hydrate is structure I at gas compositions of more than 10 mol % CO2, and that the CO2 molecules occupy mainly the more abundant 5(12)6(2) cages. This makes it possible to achieve concentrations of more than 96 mol % CO2 gas in the product after three cycles of hydrate formation and dissociation. 1H NMR microimaging showed that hydrate yields of better than 85%, based on the amount of water, could be obtained in 1 h when a steady state was reached, although approximately 90% of this yield was achieved after approximately 20 min of reaction time.     

Computerized segmentation of whole-body bone scintigrams and its use in automated diagnostics

Bone scintigraphy or whole-body bone scan is one of the most common diagnostic procedures in nuclear medicine used in the last 25 years. Pathological conditions, technically poor image resolution and artefacts necessitate that algorithms use sufficient background knowledge of anatomy and spatial relations of bones in order to work satisfactorily. A robust knowledge based methodology for detecting reference points of the main skeletal regions that is simultaneously applied on anterior and posterior whole-body bone scintigrams is presented. Expert knowledge is represented as a set of parameterized rules which are used to support standard image-processing algorithms. Our study includes 467 consecutive, non-selected scintigrams, which is, to our knowledge the largest number of images ever used in such studies. Automatic analysis of whole-body bone scans using our segmentation algorithm gives more accurate and reliable results than previous studies. Obtained reference points are used for automatic segmentation of the skeleton, which is applied to automatic (machine learning) or manual (expert physicians) diagnostics. Preliminary experiments show that an expert system based on machine learning closely mimics the results of expert physicians.     

The role of ceramic and glass science research in meeting societal challenges: Report from an NSF‐sponsored workshop

Under the sponsorship of the U.S. National Science Foundation, a workshop on emerging research opportunities in ceramic and glass science was held in September 2016. Reported here are proceedings of the workshop. The report details eight challenges identified through workshop discussions: Ceramic processing: Programmable design and assembly; The defect genome: Understanding, characterizing, and predicting defects across time and length scales; Functionalizing defects for unprecedented properties; Ceramic flatlands: Defining structure‐property relations in free‐standing, supported, and confined two‐dimensional ceramics; Ceramics in the extreme: Discovery and design strategies; Ceramics in the extreme: Behavior of multimaterial systems; Understanding and exploiting glasses and melts under extreme conditions; and Rational design of functional glasses guided by predictive modeling. It is anticipated that these challenges, once met, will promote basic understanding and ultimately enable advancements within multiple sectors, including energy, environment, manufacturing, security, and health care.     

The IoT Architectural Framework,Design Issues and Application Domains

The challenge raised by the introduction of Internet of Things (IoT) concept will permanently shape the networking and communications landscape and will therefore have a significant social impact. The ongoing IoT research activities are directed towards the definition and design of open architectures and standards, but there are still many issues requiring a global consensus before the final deployment. The paper presents and discusses the IoT architectural frameworks proposed under the ongoing standardization efforts, design issues in terms of IoT hardware and software components, as well as the IoT application domain representatives, such as smart cities, healthcare, agriculture, and nano-scale applications (addressed within the concept of Internet of Nano-Things). In order to obtain the performances related to recently proposed protocols for emerging Industrial Internet of Things applications, the preliminary results for Message Queuing Telemetry Transport and Time-Slotted Channel Hopping protocols are provided. The testing was performed on OpenMote hardware platform and two IoT operating systems: Contiki and OpenWSN.