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Sample records for 6g r6g molecules

  1. Surface enhanced Raman scattering detection of single R6G molecules on nanoporous gold films

    NASA Astrophysics Data System (ADS)

    Liu, Hongwen; Zhang, L.; Yamaguchi, Y.; Iwasaki, H.; Inouye, Y.; Xue, Q. K.; Chen, M. W.

    2011-03-01

    Detecting single molecules with high sensitivity and molecular specificity is of great practical interest in many fields such as chemistry, biology, medicine, and pharmacology. For this purpose, cheap and highly active substrates are of crucial importance. Recently, nanoporous metals (NPMs), with a three-dimensional continuous network structure and pore channels usually much smaller than the wavelength of visible light, revealed outstanding optical properties in surface enhanced Raman scattering (SERS). In this work, we further modify the nanoporous gold films by growing a high density of gold nano-tips on the surface. Extremely focused electromagnetic fields can be produced at the apex of the nano-tips, resulting in so-called hot spots. With this NPM-based and affordable substrate, single molecule-detection is achievable with ultrahigh enhancement in SERS.

  2. R6G molecule induced modulation of the optical properties of reduced graphene oxide nanosheets for use in ultrasensitive SPR sensing

    PubMed Central

    Xue, Tianyu; Yu, Shansheng; Zhang, Xiaoming; Zhang, Xinzheng; Wang, Lei; Bao, Qiaoliang; Chen, Caiyun; Zheng, Weitao; Cui, Xiaoqiang

    2016-01-01

    A proper understanding of the role that molecular doping plays is essential to research on the modulation of the optical and electronic properties of graphene. The adsorption of R6G molecules onto defect-rich reduced graphene oxide nanosheets results in a shift of the Fermi energy and, consequently, a variation in the optical constants. This optical variation in the graphene nanosheets is used to develop an ultrasensitive surface plasmon resonance biosensor with a detection limit of 10−17 M (0.01 fM) at the molecular level. A density functional theory calculation shows that covalent bonds were formed between the R6G molecules and the defect sites on the graphene nanosheets. Our study reveals the important role that defects play in tailoring the properties and sensor device applications of graphene materials. PMID:26887525

  3. How does the surface charge of ionic surfactant and cholesterol forming vesicles control rotational and translational motion of rhodamine 6G perchlorate (R6G ClO₄)?

    PubMed

    Ghosh, Surajit; Roy, Arpita; Banik, Debasis; Kundu, Niloy; Kuchlyan, Jagannath; Dhir, Anjali; Sarkar, Nilmoni

    2015-03-01

    The rotational dynamics and translational diffusion of a hydrophilic organic molecule, rhodamine 6G perchlorate (R6G ClO4) in small unilamellar vesicles formed by two different ionic surfactants, cetyltrimethylammonium bromide (CTAB) and sodium dodecyl sulfate (SDS), with cholesterol have been investigated using fluorescence spectroscopic methods. Moreover, in this article the formation of vesicle using anionic surfactant, SDS at different cholesterol-to-surfactant molar ratio (expressed by Q value (Q = [cholesterol]/[surfactant])) has also been reported. Visual observation, dynamic light scattering (DLS) study, turbidity measurement, steady state fluorescence anisotropy (r0) measurement, and eventually microscopic images reveal the formation of small unilamellar vesicles in aqueous solution. Also, in this study, an attempt has been made to observe whether the cationic probe molecule, rhodamine 6G (R6G) experiences similar or different microenvironment in cholesterol-SDS and cholesterol-CTAB assemblies with increase in cholesterol concentration. The influence of cholesterol on rotational and translational diffusion of R6G molecules has been investigated by monitoring UV-vis absorption, fluorescence, time-resolved fluorescence anisotropy, and finally fluorescence correlation spectroscopy (FCS) measurements. In cholesterol-SDS assemblies, due to the strong electrostatic attractive interaction between the negatively charged surface of vesicle and cationic R6G molecules, the rotational and diffusion motion of R6G becomes slower. However, in cholesterol-CTAB aggregates, the enhanced hydrophobicity and electrostatic repulsion induces the migration of R6G from vesicle bilayer to aqueous phase. The experimental observations suggest that the surface charge of vesicles has a stronger influence than the hydrophobicity of the vesicle bilayer on the rotational and diffusion motion of R6G molecules.

  4. Prussian Blue Modified PLA Microcapsules Containing R6G for Ultrasonic/Fluorescent Bimodal Imaging Guided Photothermal Tumor Therapy.

    PubMed

    Feng, Shanshan; Wang, Jinrui; Ma, Fang; Liang, Xiaolong; Li, Xiaoda; Xing, Sen; Yue, Xiuli

    2016-03-01

    A theranostic agent has been successfully constructed for fluorescence/ultrasound dual-modal imaging guided photothermal therapy by loading the fluorescent dye R6G into polylactide microcapsules (PLA MCs) followed by deposition of Prussian blue nanoparticles (PB NPs) into the surface of PLA MCs. It was proved that the obtained microcapsules of R6G@PLA/PB MCs could serve as an efficient probe to simultaneously enhance fluorescence imaging and ultrasound imaging greatly in vivo. R6G@PLA/PB MCs exhibited significant photothermal cytotoxicity. Cancer cells could be killed efficiently through photothermal effects of R6G@PLA/PB MCs due to the strong absorption of PB NPs in the near infrared region under laser irradiation. In a word, R6G@PLA/PB MCs integrate multiple capabilities for effective tumor imaging and therapy. Such a single agent provides us a possibility to interpret accurately the obtained images, identify the size and location of the tumor, as well as guide and monitor the photothermal therapy.

  5. LSP spectral changes correlating with SERS activation and quenching for R6G on immobilized Ag nanoparticles

    NASA Astrophysics Data System (ADS)

    Futamata, M.; Maruyama, Y.

    2008-10-01

    In terms of chemical enhancement in Surface Enhanced Raman Scattering (SERS), we investigated the effect of halide and other anions to rhodamine 6G (R6G) adsorbed Ag particles that were immobilized on the substrates. The residual species on chemically prepared Ag particles such as citrate or a-carbon were thoroughly substituted by various anions, e.g., Cl-, Br-, I-, SCN-, CN-, or S2O3 2- anions, whose adsorption features are elucidated by the formation constants for AgX2 ( m-1)-, here X denotes the above anions. In particular, Cl-, Br-, or SCN- ions activated SERS of R6G via intrinsic electronic interaction with Ag, whereas CN-, S2O3 2-, or I- anions quenched it due to their exclusive adsorption onto the Ag surfaces. We found that the activation process with the anions commonly yields a marked blue-shift of the coupled plasmon peak from ca. 650-700 to 500-550 nm in elastic scattering. It is rationalized by slight increase of the gap size between adjacent Ag nanoparticles by only ca. 1 nm based on theoretical simulations. This is probably caused by slight dissolution, oxidative etching, of the particles according to large formation constants of the complexes. Consequently, partly remaining negative charges on the Ag surface, and a slight increase in the gap size, providing huge electric field, facilitated R6G cations to adsorb on the nanoparticles, especially at the junction.

  6. SERS detection of R6G based on a novel graphene oxide/silver nanoparticles/silicon pyramid arrays structure.

    PubMed

    Zhang, C; Jiang, S Z; Huo, Y Y; Liu, A H; Xu, S C; Liu, X Y; Sun, Z C; Xu, Y Y; Li, Z; Man, B Y

    2015-09-21

    We present a novel surface-enhanced Raman scattering (SERS) substrate based on graphene oxide/silver nanoparticles/silicon pyramid arrays structure (GO/Ag/PSi). The SERS behaviors are discussed and compared by the detection of R6G. Based on the contrast experiments with PSi, GO/PSi, Ag/PSi and GO/AgA/PSi as SERS substrate, the perfect bio-compatibility, good homogeneity and chemical stability were confirmed. We also calculated the electric field distributions using Finite-difference time-domain (FDTD) analysis to further understand the GO/Ag/PSi structure as a perfect SERS platform. These experimental and theoretical results imply that the GO/Ag/PSi with regular pyramids array is expected to be an effective substrate for label-free sensitive SERS detections in areas of medicine, food safety and biotechnology.

  7. Detection of single rhodamine 6g molecules in levitated microdroplets

    SciTech Connect

    Barnes, M.D.; Ng, K.C.; Whitten, W.B.; Ramsey, J.M. )

    1993-09-01

    Single Rhodamine 6G (R6G) molecules in levitated glycerol microdroplets have been detected with signal-to-noise ratios of >40 using CW laser-induced fluorescence. The fluorescence signal from single R6G molecules was identified by the magnitude of the fluorescence signal and by the unique time dependence of the fluorescence count rate before photobleaching. This high sensitivity allows single molecules to be counted by use of a digital detection approach offering significantly lower detection limits than those possible with conventional detection methods. 27 refs., 6 figs.

  8. Direct patterning of rhodamine 6G molecules on mica by dip-pen nanolithography [rapid communication

    NASA Astrophysics Data System (ADS)

    Zhou, Hualan; Li, Zhuang; Wu, Aiguo; Wei, Gang; Liu, Zhiguo

    2004-09-01

    Dip-pen nanolithography (DPN) has been developed to pattern monolayer film of various molecules on suitable substrate through the controlled movement of ink-coated atomic force microscopy (AFM) tip, which makes DPN a potentially powerful tool for making the functional nanoscale devices. In this paper, the direct patterning of rhodamine 6G on mica by dip-pen nanolithography was demonstrated. R6G features patterned on the mica was successfully achieved with different tip movement which can be programmed by Nanoscript™ language. From the AFM image of R6G patterns, we know that R6G molecule is flatly binding to the mica surface through electrostatic interaction, thus stable R6G nanostructures could be formed on mica. The influence of translation speed and contact time on DPN was discussed. The method can be extended to direct patterning of many other organic molecules, and should open many opportunities for miniaturized optical device and site-specific biological staining.

  9. Surface enhanced Raman spectroscopy of individual rhodamine 6G molecules on large Ag nanocrystals

    SciTech Connect

    Michaels, A.M.; Nirmal, M.; Brus, L.E.

    1999-11-03

    To explore the relationship between local electromagnetic field enhancement and the large SERS (surface enhanced Raman scattering) enhancement that enables the observation of single molecule Raman spectra, they measure both resonant Rayleigh scattering spectra and rhodamine 6G Raman spectra from single Ag particles. The apparatus combines the techniques of dark-field optical microscopy for resonant Rayleigh measurements, and grazing incidence Raman spectroscopy. The Rayleigh spectra show that the citrate-reduced Ag colloid is extremely heterogeneous. Only the larger particles, in part created by salt induced aggregation, show a large SERS effect. In agreement with the work of Nie and Emory, a few nanocrystals show huge single molecule R6G SERS intensities. While all SERS active particles have some resonant Rayleigh scattering at the 514.5 nm laser wavelength, there is no correlation between the resonant Rayleigh spectra and the SERS intensity. A model is discussed in which huge SERS intensities result from single chemisorbed molecules interacting with ballistic electrons in optically excited large Ag particles. This model is a natural consequence of the standard local electromagnetic field model for SERS and the high surface sensitivity of plasmon dephasing in the noble metals.

  10. Fluorescent monodisperse spherical particles based on mesoporous silica containing rhodamine 6G

    NASA Astrophysics Data System (ADS)

    Trofimova, E. Yu.; Grudinkin, S. A.; Kukushkina, Yu. A.; Kurdyukov, D. A.; Medvedev, A. V.; Yagovkina, M. A.; Golubev, V. G.

    2012-06-01

    Fluorescent monodisperse spherical silica (SiO2) particles with a regular mesoporous structure containing encapsulated Rhodamine 6G (R6G) dye have been synthesized. The as-synthesized particles have been coated with SiO2 and SiO2-CTAB (cetyltrimethylammonium bromide, C16H33N(CH3)3Br) shells in order to prevent uncontrolled release of the dye from pores. The kinetics of R6G release from the pores of silica particles has been studied. It has been found that the particles synthesized by adding CTAB and R6G to the reaction mixture, as well as the particles coated with the SiO2-CTAB shell, are characterized by the maximum duration of dye release from the pores, which is probably associated with the formation of chemical bonds between R6G and CTAB molecules.

  11. Correlation of surface enhanced Raman spectroscopy and nanoparticle aggregation with rhodamine 6G

    NASA Astrophysics Data System (ADS)

    Hoff, Christopher A.

    Surface enhanced Raman spectroscopy (SERS) has fascinated the analytical chemistry field for decades. The SERS phenomenon has progressively leveraged the inherently insensitive Raman phenomenon from a novelty vibrational spectroscopy method into one capable of single molecule detection, with attendant molecular level selectivity and information. Yet, even after 40 years since its discovery, the core mechanism behind this phenomenon is still debated. This thesis presents results from a series of photometric titrations wherein solutions of 30 nm Au@Ag nanoparticles (NPs) were titrated with rhodamine 6G (R6G), spanning five orders of magnitude in R6G concentration, and which elucidate the conditions required for the onset of SERS by R6G in this system. The experiments illustrated the correlation between the Raman response and the plasmonic (via UV-Vis spectroscopy) properties of the nanoparticle solutions. It was found that the onset of R6G SERS was related much more closely to the aggregation of the nanoparticles in solution than to their R6G adsorbed surface coverage. However, triggering aggregation with sodium chloride appeared to enhance SERS by an independent mechanism, which is operative only at low, i.e., [NaCl] > 100 mM concentration.

  12. Observing single-molecule chemical reactions on metal nanoparticles

    NASA Astrophysics Data System (ADS)

    Emory, Steven R.; Ambrose, W. Patrick; Goodwin, Peter M.; Keller, Richard A.

    2001-06-01

    We report on the study of the photodecomposition of single Rhodamine 6G (R6G) dye molecules adsorbed on silver nanoparticles. The nanoparticles were immobilized and spatially isolated on polylysine-derivatized glass coverslips, and confocal laser microspectroscopy was used to obtain surface-enhanced Raman scatters (SERS) spectra from individual R6G molecules. The photodecomposition of these molecules was observed with 150-ms temporal resolution. The photoproduct was identified as graphitic carbon based on the appearance of bread SERS vibrational bands at 1592 cm-1 and 1340 cm-1 observed in both bulk and averaged single-molecule photoproduct spectra. In contrast, when observed at the single-molecule level, the photoproduct yielded sharp SERS spectra. The inhomogeneous broadening of the bulk SERS spectra is due to a variety of photoproducts in different surface orientations and is a characteristic of ensemble-averaged measurement of disordered systems. These single-molecule studies indicate a photodecomposition pathway by which the R6G molecule desorbs from the metal surface, an excited-state photoreaction occurs, and the R6G photoproduct(s) readsorbs to the surface. A SERS spectrum is obtained when either the intact R6G or the R6G photoproduct(s) are adsorbed on a SERS-active site. This work further illustrates the power of single-molecule spectroscopy (SMS) to reveal unique behaviors of single molecules that are not discernable with bulk measurements.

  13. Observing single molecule chemical reactions on metal nanoparticles.

    SciTech Connect

    Emory, S. R.; Ambrose, W. Patrick; Goodwin, P. M.; Keller, Richard A.

    2001-01-01

    We report the study of the photodecomposition of single Rhodamine 6G (R6G) dye molecules adsorbed on silver nanoparticles. The nanoparticles were immobilized and spatially isolated on polylysine-derivatized glass coverslips, and confocal laser microspectroscopy was used to obtain surface-enhanced Raman scattering (SERS) spectra from individual R6G molecules. The photodecomposition of these molecules was observed with 150-ms temporal resolution. The photoproduct was identified as graphitic carbon based on the appearance of broad SERS vibrational bands at 1592 cm{sup -1} and 1340 cm{sup -1} observed in both bulk and averaged single-molecule photoproduct spectra. In contrast, when observed at the single-molecule level, the photoproduct yielded sharp SERS spectra. The inhomogeneous broadening of the bulk SERS spectra is due to a variety of photoproducts in different surface orientations and is a characteristic of ensemble-averaged measurements of disordered systems. These single-molecule studies indicate a photodecomposition pathway by which the R6G molecule desorbs from the metal surface, an excited-state photoreaction occurs, and the R6G photoproduct(s) readsorbs to the surface. A SERS spectrum is obtained when either the intact R6G or the R6G photoproduct(s) are adsorbed on a SERS-active site. This work further illustrates the power of single-molecule spectroscopy (SMS) to reveal unique behaviors of single molecules that are not discernable with bulk measurements.

  14. Influence of lithium iodide on association of rhodamine 6G molecules in mixtures of isopropanol with CCl/sub 4/

    SciTech Connect

    Saletskii, A.M.; Shekunov, V.A.; Yuzhakov, V.I.

    1987-11-01

    The spectral-luminescent properties of rhodamine 6G on addition of lithium iodide to the solutions were studied in mixtures of polar (isopropanol) and nonpolar (carbon tetrachloride) solvents. It was found that when LiI is added, the complex associates of the dye molecules formed in solutions containing more than 90 vol. % of CCl/sub 4/ dissociate into rhodamine 6G monomers. The enthalpy of association of rhodamine depends on the concentration of the salt in the system. The volume and the geometry of the complexes have been evaluated from the data of the polarization characteristics of the fluorescence of the associates.

  15. Resonance Raman Scattering of Rhodamine 6G as Calculated Using Time-Dependent Density Functional Theory

    SciTech Connect

    Jensen, Lasse; Schatz, George C.

    2006-03-27

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. In this work, we present the first calculation of the resonance Raman scattering (RRS) spectrum of rhodamine 6G (R6G) which is a prototype molecule in surface-enhanced Raman scattering (SERS). The calculation is done using a recently developed time-dependent density functional theory (TDDFT) method, which uses a short-time approximation to evaluate the Raman scattering cross section. The normal Raman spectrum calculated with this method is in good agreement with experimental results. The calculated RRS spectrum shows qualitative agreement with SERS results at a wavelength that corresponds to excitation of the S1 state, but there are significant differences with the measured RRS spectrum at wavelengths that correspond to excitation of the vibronic sideband of S1. Although the agreement with the experiments is not perfect, the results provide insight into the RRS spectrum of R6G at wavelengths close to the absorption maximum where experiments are hindered due to strong fluorescence. The calculated resonance enhancements are found to be on the order of 105. This indicates that a surface enhancement factor of about 1010 would be required in SERS in order to achieve single-molecule detection of R6G.

  16. Kinetic peculiarities of rhodamine 6G photodegradation in polymethylmethacrylate

    SciTech Connect

    Mardaleishvili, I.R.; Anisimov, V.M.

    1986-10-01

    Dye-activated polymer matrices have found recently wide technological applications as active laser media. The kinetic mechanism for dye photodegradation has been studied in this work for polymethylmethacrylate (PMMA) activated by rhodamine 6G (R6G). It has been found that the dye molecules are not equivalent with respect to their stability to the light and the effective width of their distribution over this parameter depends on the photon energy acting on the system. For the short wavelength UV irradiation (lambda = 254 nm) the distribution is narrow and it widens with an increase in the excitation wavelength. Optically transparent PMMA films (molecular weight 160,000 and thickness ca.20 mum) have been used in the present work. The necessity of accounting for the kinetics and effectiveness of the relaxation processes leading to a change in the reactivity of the molecules added to the polymer matrix limit the applicability of the kinetic stabilization method. A detailed study of the relaxation processes has been carried out, where it has been demonstrated for a number of polymer matrices, including PMMA, that a relaxation of guest molecules, leading to an enhancement of their reactivity, is effective only at the temperatures close to T /SUB c/ of the polymer. For PMMA activated by R6G the dark incubation of the previously irradiated sample for 30 min at 90 C leads to a substantial increase in the further photodegradation process. This is due to the fact that the relaxation process leads to an increased fraction of the highly reactive molecules. Diagrams are included.

  17. Rhodamine 6G laser pumped by cathodoluminescence

    SciTech Connect

    Lisitsyn, V.M.; Lyakh, G.O.; Orlovskii, V.M.; Osipov, V.V.; Urbazaev, M.N.

    1984-08-01

    Cathodoluminescence from a CdS crystal, generated by the action of high-power short-duration electron beam pulses was used to pump a rhodamine 6G (R6G) laser. Measurements were made of the energy spectrum of the electrons in the beam exciting the CdS crystal, of the cathodoluminescence spectrum of CdS, of the absorption and emission spectra of the dye, and also of the time characteristics of the cathodoluminescence and of the dye laser radiation. When the electron beam incident on the crystal was characterized by a current of 500 A and duration 8 nsec at half-height, the radiation pulses emitted by R6G had an energy of approx.1 mJ and the efficiency of generation of these pulses was approx.0.3%. OFF

  18. Intersystem crossing from highly excited states. rhodamine 6G

    SciTech Connect

    Ryl'kov, V.V.; Cheshev, E.A.

    1985-09-01

    The authors carried out an investigation of ethanolic solutions of Rhodamine 6G (R6G) at 20 C by laser flash photolysis. The excitation of dilute (3 /SUP ./ 10/sup -5/ M) solutions of R6G with an initial optical density of 1.5 up to an intensity of 100 MW/cm/sup 2/ resulted in only weak triplet-triplet absorption. The introduction of additions of lithium chloride or lithium bromide in 0.1 M concentrations into a solution of R6G (3.10/sup -5/ M) resulted in the appearance of induced absorption and the introduction of an addition of lithium nitrate in the same concentration into the solution did not result in enhancement of triplet-triplet absorption.

  19. Plasmon enhancement of Raman scattering and fluorescence for rhodamine 6G molecules in the porous glass and PVA films with nanoparticles of silver citrate hydrosol

    NASA Astrophysics Data System (ADS)

    Konstantinova, E. I.; Zyubin, A. U.; Slezhkin, V. A.; Samusev, I. G.; Bryukhanov, V. V.

    2016-08-01

    The study of Raman and fluorescence spectra for Rhodamine 6G molecules in a film of polyvinyl alcohol on the modified by silver nanoparticles (NPs) porous glass and without the porous glass has been done. The gain of the scattering intensity and fluorescence emission has been obtained in the presence of silver nanoparticles. The gain order was obtained as ~ 1011

  20. Selectable Ultrasensitive Detection of Hg2+ with Rhodamine 6G-Modified Nanoporous Gold Optical Sensor

    PubMed Central

    Wang, Zheng; Yang, Min; Chen, Chao; Zhang, Ling; Zeng, Heping

    2016-01-01

    An extremely sensitive fluorescence sensor has been developed for selectively detection of mercury ions based on metallophilic Hg2+-Au+ interactions, which results in an effective release of pre-adsorbed rhodamine 6G (R6G) molecules from the nanoporous gold substrate, associated with a significant decrease of fluorescence intensity. The optical sensor has a detection sensitivity down to 0.6 pM for Hg2+ and CH3Hg+ ions, in particular a superior selectivity in a complex aqueous system containing 13 different types of metal ions, meanwhile maintaining a long-term stability after 10 cycles. Such a fluorescence sensor combining multiple advantages therefore present promising potentials in various applications. PMID:27403721

  1. Selectable Ultrasensitive Detection of Hg2+ with Rhodamine 6G-Modified Nanoporous Gold Optical Sensor

    NASA Astrophysics Data System (ADS)

    Wang, Zheng; Yang, Min; Chen, Chao; Zhang, Ling; Zeng, Heping

    2016-07-01

    An extremely sensitive fluorescence sensor has been developed for selectively detection of mercury ions based on metallophilic Hg2+-Au+ interactions, which results in an effective release of pre-adsorbed rhodamine 6G (R6G) molecules from the nanoporous gold substrate, associated with a significant decrease of fluorescence intensity. The optical sensor has a detection sensitivity down to 0.6 pM for Hg2+ and CH3Hg+ ions, in particular a superior selectivity in a complex aqueous system containing 13 different types of metal ions, meanwhile maintaining a long-term stability after 10 cycles. Such a fluorescence sensor combining multiple advantages therefore present promising potentials in various applications.

  2. Selectable Ultrasensitive Detection of Hg(2+) with Rhodamine 6G-Modified Nanoporous Gold Optical Sensor.

    PubMed

    Wang, Zheng; Yang, Min; Chen, Chao; Zhang, Ling; Zeng, Heping

    2016-01-01

    An extremely sensitive fluorescence sensor has been developed for selectively detection of mercury ions based on metallophilic Hg(2+)-Au(+) interactions, which results in an effective release of pre-adsorbed rhodamine 6G (R6G) molecules from the nanoporous gold substrate, associated with a significant decrease of fluorescence intensity. The optical sensor has a detection sensitivity down to 0.6 pM for Hg(2+) and CH3Hg(+) ions, in particular a superior selectivity in a complex aqueous system containing 13 different types of metal ions, meanwhile maintaining a long-term stability after 10 cycles. Such a fluorescence sensor combining multiple advantages therefore present promising potentials in various applications. PMID:27403721

  3. Spectroscopy and laser action of rhodamine 6G doped aluminosilicate xerogels

    SciTech Connect

    McKiernan, J.M.; Yamanaka, S.A.; Dunn, B.; Zink, J.I. )

    1990-07-26

    Rhodamine 6G (R6G) doped aluminosilicate glass synthesized by the sol-gel method exhibits laser action. Transparent 5 mm {times} 5 mm {times} 10 mm monoliths were used as cast in a simple laser cavity. This new material was pumped at rates of up to 25 Hz and was still active after as many as 40,000 pump pulses. Luminescence and free-running laser spectra are measured. The dependence of the R6G doped aluminosilicate dye laser output on the number of pump pulses and the pump pulse energy is discussed.

  4. Real-time monitoring of single-molecule reactions in aqueous solution

    SciTech Connect

    Hong, Xiao; Xu, N.; Yeung, E.S. |

    1997-12-31

    Direct measurement of dynamics of single molecules, e.g., rhodamine 6G (R-6G) and single R-6G tagged with single biological molecules in aqueous solution, was achieved by using thin-layer laser-induced total internal reflection fluorescence microscopy (TLTIRFM). Single-molecule reactions can be directly and simultaneously monitored with spatial resolution down to 0.2 {mu}m and temporal resolution down to 0.2 ms. Dynamics of single-molecule reactions, for example, single dye molecules reacting with a proton and single proteins adsorbing on an active surface, are investigated and evident by monitoring their reaction environment, e.g., temperature and pH. Novel approaches and applications of these studies will be prospected in this presentation.

  5. Rotational motion of rhodamine 6G tethered to actin through oligo(ethylene glycol) linkers studied by frequency-domain fluorescence anisotropy.

    PubMed

    Wazawa, Tetsuichi; Morimoto, Nobuyuki; Nagai, Takeharu; Suzuki, Makoto

    2015-01-01

    Investigation of the rotational motion of a fluorescent probe tethered to a protein helps to elucidate the local properties of the solvent and protein near the conjugation site of the probe. In this study, we have developed an instrument for frequency-domain fluorescence (FDF) anisotropy measurements, and studied how the local properties around a protein, actin, can be elucidated from the rotational motion of a dye tethered to actin. Rhodamine 6G (R6G) was attached to Cys-374 using newly-synthesized R6G-maleimide with three different oligo(ethylene glycol) (OEG) linker lengths. The time-resolved anisotropy decay of R6G tethered to G-actin was revealed to be a combination of the two modes of the wobbling motion of R6G and the tumbling motion of G-actin. The rotational diffusion coefficient (RDC) of R6G wobbling was ~0.1 ns(-1) at 20°C and increased with OEG linker length. The use of the three R6G-actin conjugates of different linker lengths was useful to not only figure out the linker length dependence of the rotational motion of R6G but also validate the analyses. In the presence of a cosolvent of glycerol, although the tumbling motion of G-actin was retarded in response to the bulk viscosity, the wobbling motion of R6G tethered to actin exhibited an increase of RDC as glycerol concentration increased. This finding suggests an intricate relationship between the fluid properties of the bulk solvent and the local environment around actin.

  6. Rotational motion of rhodamine 6G tethered to actin through oligo(ethylene glycol) linkers studied by frequency-domain fluorescence anisotropy

    PubMed Central

    Wazawa, Tetsuichi; Morimoto, Nobuyuki; Nagai, Takeharu; Suzuki, Makoto

    2015-01-01

    Investigation of the rotational motion of a fluorescent probe tethered to a protein helps to elucidate the local properties of the solvent and protein near the conjugation site of the probe. In this study, we have developed an instrument for frequency-domain fluorescence (FDF) anisotropy measurements, and studied how the local properties around a protein, actin, can be elucidated from the rotational motion of a dye tethered to actin. Rhodamine 6G (R6G) was attached to Cys-374 using newly-synthesized R6G-maleimide with three different oligo(ethylene glycol) (OEG) linker lengths. The time-resolved anisotropy decay of R6G tethered to G-actin was revealed to be a combination of the two modes of the wobbling motion of R6G and the tumbling motion of G-actin. The rotational diffusion coefficient (RDC) of R6G wobbling was ~0.1 ns−1 at 20°C and increased with OEG linker length. The use of the three R6G-actin conjugates of different linker lengths was useful to not only figure out the linker length dependence of the rotational motion of R6G but also validate the analyses. In the presence of a cosolvent of glycerol, although the tumbling motion of G-actin was retarded in response to the bulk viscosity, the wobbling motion of R6G tethered to actin exhibited an increase of RDC as glycerol concentration increased. This finding suggests an intricate relationship between the fluid properties of the bulk solvent and the local environment around actin. PMID:27493858

  7. Strong coupling between Rhodamine 6G and localized surface plasmon resonance of immobile Ag nanoclusters fabricated by direct current sputtering

    NASA Astrophysics Data System (ADS)

    Fang, Yingcui; Blinn, Kevin; Li, Xiaxi; Weng, Guojun; Liu, Meilin

    2013-04-01

    We made clean silver nano-clusters (AgNCs) on glass substrates by DC magnetron sputtering of a high purity Ag target in a high vacuum chamber. The AgNCs film shows strong localized surface plasmon resonance (LSPR) due to the coupling among Ag nanoparticles in the AgNCs and the coupling between AgNCs. The LSPR indicates strong coupling with Rhodamine 6G (R6G) adsorbed on the AgNC surface, which enhances the R6G absorption intensity and broadens the absorption wavelength range. This result promotes plasmonic nanoparticles to be better used in solar cells.

  8. Single Molecule Raman Spectroscopy Under High Pressure

    NASA Astrophysics Data System (ADS)

    Fu, Yuanxi; Dlott, Dana

    2014-06-01

    Pressure effects on surface-enhanced Raman scattering spectra of Rhdoamine 6G adsorbed on silver nanoparticle surfaces was studied using a confocal Raman microscope. Colloidal silver nanoparticles were treated with Rhodamine 6G (R6G) and its isotopically substituted partner, R6G-d4. Mixed isotopomers let us identify single-molecule spectra, since multiple-molecule spectra would show vibrational transitions from both species. The nanoparticles were embedded into a poly vinyl alcohol film, and loaded into a diamond anvil cell for the high-pressure Raman scattering measurement. Argon was the pressure medium. Ambient pressure Raman scattering spectra showed few single-molecule spectra. At moderately high pressure ( 1GPa), a surprising effect was observed. The number of sites with observable spectra decreased dramatically, and most of the spectra that could be observed were due to single molecules. The effects of high pressure suppressed the multiple-molecule Raman sites, leaving only the single-molecule sites to be observed.

  9. Determination of the rate constants of molecular processes regulating the level of induced absorption in a laser based on an aqueous-micellar solution of rhodamine 6G with lamp pumping

    SciTech Connect

    Levin, M.B.; Snegov, M.I.; Cherkasov, A.S.

    1987-03-01

    A method of determining the average lifetime tau of the products responsible for inverse induced absorption in aqueous--micellar solutions of rhodamine 6G (R6G) on lamp pumping based on a comparison of threshold intensities of excitation (W/sub th/) in the resonators of a laser with a different Q is proposed. Using the value of tau found (0.2 ..mu..sec) and experimental data on the change in W/sub th/ with the concentration of cyclooctatetraene (COT) added to the solution the rate constant of quenching of the absorbing products by COT molecules (K/sub q/ = 2.6 x 10/sup 7/ M/sup -1/sec/sup -1/) was determined. In the assumption that the absorbing products are triplet dye molecules, the value of the rate constant of interconversion (K/sub 32/) of R6G into an aqueous--micellar solution (K/sub 32/ = 1.3 x 10/sup 7/ sec/sup -1/) was determined. A comparison was made of the values of the constants found with the corresponding values known from the literature.

  10. An enhanced cerium(IV)-rhodamine 6G chemiluminescence system using guest-host interactions in a lab-on-a-chip platform for estimating the total phenolic content in food samples.

    PubMed

    Al Haddabi, Buthaina; Al Lawati, Haider A J; Suliman, FakhrEldin O

    2016-04-01

    Two chemiluminescence-microfluidic (CL-MF) systems, e.g., Ce(IV)-rhodamine B (RB) and Ce(IV)-rhodamine 6G (R6G), for the determination of the total phenolic content in teas and some sweeteners were evaluated. The results indicated that the Ce(IV)-R6G system was more sensitive in comparison to the Ce(IV)-RB CL system. Therefore, a simple (CL-MF) method based on the CL of Ce(IV)-R6G was developed, and the sensitivity, selectivity and stability of this system were evaluated. Selected phenolic compounds (PCs), such as quercetin (QRC), catechin (CAT), rutin (RUT), gallic acid (GA), caffeic acid (CA) and syringic acid (SA), produced analytically useful chemiluminescence signals with low detection limits ranging from 0.35 nmol L(-1) for QRC to 11.31 nmol L(-1) for SA. The mixing sequence and the chip design were crucial, as the sensitivity and reproducibility could be substantially affected by these two factors. In addition, the anionic surfactant (i.e., sodium dodecyl sulfate (SDS)) can significantly enhance the CL signal intensity by as much as 300% for the QRC solution. Spectroscopic studies indicated that the enhancement was due to a strong guest-host interaction between the cationic R6G molecules and the anionic amphiphilic environment. Other parameters that could affect the CL intensities of the PCs were carefully optimized. Finally, the method was successfully applied to tea and sweetener samples. Six different tea samples exhibited total phenolic/antioxidant levels from 7.32 to 13.5 g per 100g of sample with respect to GA. Four different sweetener samples were also analyzed and exhibited total phenolic/antioxidant levels from 500.9 to 3422.9 mg kg(-1) with respect to GA. The method was selective, rapid and sensitive when used to estimate the total phenolic/antioxidant level, and the results were in good agreement with those reported for honey and tea samples. PMID:26838423

  11. Single molecule detection using SERS study in PVP functionalized Ag nanoparticles

    NASA Astrophysics Data System (ADS)

    Garg, Parul; Dhara, S.

    2013-02-01

    Non-spherical functionalized Ag nanoparticles (NPs) with homogenous size ˜ 40 nm have been grown using soft chemical route. Solution of silver nitrate and polyvinylpyrrolidone is reduced in excess of ethylene glycol for the preparation of the NPs. Substrates has been prepared by dip coating of the NPs on c-Si for Raman studies. Rhodamine (R6G) is used as a test molecule to study the surface enhanced Raman spectroscopy (SERS) effect. A single molecule detection of R6G along with an enhancement factor of ˜ 4×103 orders of magnitude in the intensity, for the concentration as low as 10-12 M using polymer coated Ag NPs as SERS substrates, has been achieved.

  12. Comparison and mechanism of photocatalytic activities of N-ZnO and N-ZrO2 for the degradation of rhodamine 6G.

    PubMed

    Sudrajat, Hanggara; Babel, Sandhya

    2016-05-01

    N-doped ZnO (N-ZnO) and N-doped ZrO2 (N-ZrO2) are synthesized by novel, simple thermal decomposition methods. The catalysts are evaluated for the degradation of rhodamine 6G (R6G) under visible and UV light. N-ZnO exhibits higher dye degradation under both visible and UV light compared to N-ZrO2 due to possessing higher specific surface area, lower crystalline size, and lower band gap. However, it is less reusable than N-ZrO2 and its photocatalytic activity is also deteriorated at low pH. At the same intensity of 3.5 W/m(2), UVC light is shown to be a better UV source for N-ZnO, while UVA light is more suitable for N-ZrO2. At pH 7 with initial dye concentration of 10 mg/L, catalyst concentration of 1 g/L, and UVC light, 94.3 % of R6G is degraded by N-ZnO within 2 h. Using UVA light under identical experimental conditions, 93.5 % degradation of R6G is obtained by N-ZrO2. Moreover, the type of light source is found to determine the reactive species produced in the R6G degradation by N-ZnO and N-ZrO2. Less oxidative reactive species such as superoxide radical and singlet oxygen play a major role in the degradation of R6G under visible light. On the contrary, highly oxidative hydroxyl radicals are predominant under UVC light. Based on the kinetic study, the adsorption of R6G on the catalyst surface is found to be the controlling step.

  13. Comparison and mechanism of photocatalytic activities of N-ZnO and N-ZrO2 for the degradation of rhodamine 6G.

    PubMed

    Sudrajat, Hanggara; Babel, Sandhya

    2016-05-01

    N-doped ZnO (N-ZnO) and N-doped ZrO2 (N-ZrO2) are synthesized by novel, simple thermal decomposition methods. The catalysts are evaluated for the degradation of rhodamine 6G (R6G) under visible and UV light. N-ZnO exhibits higher dye degradation under both visible and UV light compared to N-ZrO2 due to possessing higher specific surface area, lower crystalline size, and lower band gap. However, it is less reusable than N-ZrO2 and its photocatalytic activity is also deteriorated at low pH. At the same intensity of 3.5 W/m(2), UVC light is shown to be a better UV source for N-ZnO, while UVA light is more suitable for N-ZrO2. At pH 7 with initial dye concentration of 10 mg/L, catalyst concentration of 1 g/L, and UVC light, 94.3 % of R6G is degraded by N-ZnO within 2 h. Using UVA light under identical experimental conditions, 93.5 % degradation of R6G is obtained by N-ZrO2. Moreover, the type of light source is found to determine the reactive species produced in the R6G degradation by N-ZnO and N-ZrO2. Less oxidative reactive species such as superoxide radical and singlet oxygen play a major role in the degradation of R6G under visible light. On the contrary, highly oxidative hydroxyl radicals are predominant under UVC light. Based on the kinetic study, the adsorption of R6G on the catalyst surface is found to be the controlling step. PMID:26873829

  14. Ag-nanoparticles on UF-microsphere as an ultrasensitive SERS substrate with unique features for rhodamine 6G detection.

    PubMed

    Hao, Zhixian; Mansuer, Mulati; Guo, Yuqing; Zhu, Zhirong; Wang, Xiaogang

    2016-01-01

    Urea and formaldehyde (UF) microsphere (MS) adsorbing Ag nanoparticles (NPs) was employed as a surface enhanced Raman scattering (SERS) substrate for rhodamine 6G (R6G) detection. The UF MSs and citrate-reduced Ag colloid supplying Ag NPs are synthesized separately and all the subsequent fabrication procedure is then implemented within 2 mL centrifuge tube. Influences of the composition and drying temperature of the UF MSs and the drying method and modification of AgNP/UFMS on the final SERS performance have first been reported. Excess formaldehyde useful in the formation of UF MSs again plays an important role in the SERS detection. Some interesting phenomena in the approach, such as swelling/deswelling of UF MSs and R6G diffusion within hydrophilic environment of UF MSs, are found to be of variable factors affecting the SERS performance. The substrate AgNP/UFMS confidently achieves a detection limit of 10(-13) M R6G and can be used as a simple and effective platform in the SERS spectroscopy. PMID:26695301

  15. Ag-nanoparticles on UF-microsphere as an ultrasensitive SERS substrate with unique features for rhodamine 6G detection.

    PubMed

    Hao, Zhixian; Mansuer, Mulati; Guo, Yuqing; Zhu, Zhirong; Wang, Xiaogang

    2016-01-01

    Urea and formaldehyde (UF) microsphere (MS) adsorbing Ag nanoparticles (NPs) was employed as a surface enhanced Raman scattering (SERS) substrate for rhodamine 6G (R6G) detection. The UF MSs and citrate-reduced Ag colloid supplying Ag NPs are synthesized separately and all the subsequent fabrication procedure is then implemented within 2 mL centrifuge tube. Influences of the composition and drying temperature of the UF MSs and the drying method and modification of AgNP/UFMS on the final SERS performance have first been reported. Excess formaldehyde useful in the formation of UF MSs again plays an important role in the SERS detection. Some interesting phenomena in the approach, such as swelling/deswelling of UF MSs and R6G diffusion within hydrophilic environment of UF MSs, are found to be of variable factors affecting the SERS performance. The substrate AgNP/UFMS confidently achieves a detection limit of 10(-13) M R6G and can be used as a simple and effective platform in the SERS spectroscopy.

  16. Investigating the Energy Transfer from Dye Molecules to DNA Stabilized Au Nanoparticles.

    PubMed

    Patel, Arun Singh; Sahoo, Harekrushna; Mohanty, T

    2016-09-01

    Double-stranded DNA stabilized gold nanoparticles (Au NPs) are synthesized by chemical reduction method and characterized with different spectroscopic techniques such as UV-Visible absorption, Fourier transform infrared (FTIR), & circular-dichroism (CD) as well as transmission electron microscopy (TEM). These NPs show absorption maximum at 520 nm and size of most of the particles are of the order of 3.5 ± 1.0 nm. These Au NPs show crystalline nature as confirmed from electron diffraction pattern. The effect of formation of Au NPs on the macromolecule has been studied using infrared and circular dichroism spectroscopy. Formation of NPs causes conformational changes in the DNA molecules. These Au NPs are further used as resonant energy acceptor of fluorescence emission from dye molecules (Rhodamine 6G). The fluorescence intensity of Rhodamine 6G (R6G) is quenched in presence of Au NPs. The effect of DNA molecules on the fluorescence quenching and the rate of energy transfer from R6G molecules to Au NPs have been explored. PMID:27422695

  17. Simultaneous time and frequency resolved fluorescence microscopy of single molecules.

    SciTech Connect

    Hayden, Carl C.; Gradinaru, Claudiu C.; Chandler, David W.; Luong, A. Khai

    2005-01-01

    Single molecule fluorophores were studied for the first time with a new confocal fluorescence microscope that allows the wavelength and emission time to be simultaneously measured with single molecule sensitivity. In this apparatus, the photons collected from the sample are imaged through a dispersive optical system onto a time and position sensitive detector. This detector records the wavelength and emission time of each detected photon relative to an excitation laser pulse. A histogram of many events for any selected spatial region or time interval can generate a full fluorescence spectrum and correlated decay plot for the given selection. At the single molecule level, this approach makes entirely new types of temporal and spectral correlation spectroscopy of possible. This report presents the results of simultaneous time- and frequency-resolved fluorescence measurements of single rhodamine 6G (R6G), tetramethylrhodamine (TMR), and Cy3 embedded in thin films of polymethylmethacrylate (PMMA).

  18. Spectroscopic Studies of Abiotic and Biological Nanomaterials: Silver Nanoparticles, Rhodamine 6G Adsorbed on Graphene, and c-Type Cytochromes and Type IV Pili in Geobacter sulfurreducens

    NASA Astrophysics Data System (ADS)

    Thrall, Elizabeth S.

    photooxidation rate does not track the plasmon resonance of the silver nanoparticles but instead rises monotonically with photon energy. These results are discussed in terms of plasmonic enhancement mechanisms and a theoretical model describing hot carrier photochemistry. The second chapter explores the electronic absorption and resonance Raman scattering of the dye molecule rhodamine 6G (R6G) adsorbed on graphene. Graphene has been shown to quench the fluorescence of adsorbed molecules and quantum dots, and some previous studies have reported that the Raman scattering from molecules adsorbed on graphene is enhanced. We show that reflective contrast spectroscopy can be used to obtain the electronic absorption spectrum of R6G adsorbed on graphene, allowing us to estimate the surface concentration of the dye molecule. From these results we are able to calculate the absolute Raman scattering cross-section for R6G adsorbed on bilayer graphene. We find that there is no evidence of enhancement but instead that the cross-section is reduced by more than three-fold from its value in solution. We further show that a model incorporating electromagnetic interference effects can reproduce the observed dependence of the R6G Raman intensity on the number of graphene layers. The third and final chapter describes the preliminary results from studies of the dissimilatory metal-reducing bacterium Geobacter sulfurreducens . This anaerobic bacterium couples the oxidation of organic carbon sources to the reduction of iron oxides and other extracellular electron acceptors, a type of anaerobic respiration that necessitates an electron transport chain that can move electrons from the interior of the cell to the extracellular environment. The electron transport chain in G. sulfurreducens has not been completely characterized and two competing mechanisms for the charge transport have been proposed. The first holds that G. sulfurreducens produces type IV

  19. Rotational and Translational Dynamics of Rhodamine 6G in a Pyrrolidinium Ionic Liquid: A Combined Time-Resolved Fluorescence Anisotropy Decay and NMR Study

    SciTech Connect

    Guo, Jianchang; Han, Kee Sung; Mahurin, Shannon Mark; Baker, Gary A; Hillesheim, Patrick C; Dai, Sheng; Hagaman, Edward {Ed} W; Shaw, Robert W

    2012-01-01

    NMR spectroscopy and time-resolved fluorescence anisotropy decay (TRFAD) are two of the most commonly used methods to study solute-solvent interactions. However, only a few studies have been reported to date using a combined NMR and TRFAD approach to systematically investigate the overall picture of diffusional and rotational dynamics of both the solute and solvent. In this paper, we combined NMR and TRFAD to probe fluorescent rhodamine dyes in a pyrrolidinium-based room temperature ionic liquid (RTIL), an emergent environmentally-friendly solvent type used in several energy-related applications. A specific interaction of the R6G cation and [Tf2N]- anion was identified, resulting in near-stick boundary condition rotation of R6G in this RTIL. The diffusional rates of the R6G solute and [C4mpyr][Tf2N] solvent derived from 1H NMR suggest the rates are proportional to their corresponding hydrodynamic radii. The 1H and 13C NMR studies of self-rotational dynamics of [C4mpyr][Tf2N] showed that the self-rotational correlation time of [C4mpyr]+ is 47 2 ps at 300 K. At the same temperature, we find that the correlation time for N-CH3 rotation in [C4mpyr]+ is 77 2 ps, comparable to overall molecular reorientation. This slow motion is attributed to properties of the cation structure.

  20. Single-molecule studies of oligomer extraction and uptake of dyes in poly(dimethylsiloxane) films.

    PubMed

    Lange, Jeffrey J; Collinson, Maryanne M; Culbertson, Christopher T; Higgins, Daniel A

    2009-12-15

    Single-molecule microscopic methods were used to probe the uptake, mobility, and entrapment of dye molecules in cured poly(dimethylsiloxane) (PDMS) films as a function of oligomer extraction. The results are relevant to the use of PDMS in microfluidic separations, pervaporation, solid-phase microextraction, and nanofiltration. PDMS films were prepared by spin-casting dilute solutions of Sylgard 184 onto glass coverslips, yielding approximately 1.4 microm thick films after curing. Residual oligomers were subsequently extracted from the films by "spin extraction". In this procedure, 200 microL aliquots of isopropyl alcohol were repeatedly dropped onto the film surface and spun off at 2000 rpm. Samples extracted 5, 10, 20, and 40 times were investigated. Dye molecules were loaded into these films by spin-casting nanomolar dye solutions onto the films. Both neutral perylene diimide (N,N'-bis(butoxypropyl)perylene-3,4,9,10-tetracarboxylic diimide) and cationic rhodamine 6G (R6G) dyes were employed. The films were imaged by confocal fluorescence microscopy. The images obtained depict nonzero populations of fixed and mobile molecules in all films. Cross-correlation methods were used to quantitatively determine the population of fixed molecules in a given region, while a Bayesian burst analysis was used to obtain the total population of molecules. The results show that the total amount of dye loaded increases with increased oligomer extraction, while the relative populations of fixed and mobile molecules decrease and increase, respectively. Bulk R6G data also show greater dye loading with increased oligomer extraction.

  1. Concentration quenching of rhodamine 6G fluorescence in the adsorbed state

    SciTech Connect

    Zemskii, V.I.; Meshkovskii, I.K.; Sokolov, I.A.

    1985-08-01

    Porous glass to which molecules of organic dyes have been added is a promising active solid medium for tunable lasers. The spectroluminescent characteristics of samples of porous glass activated with rhodamine 6G molecules have been studied. It is shown that molecules of rhodamine 6G adsorbed in porus glass retain their capacity for fluorescence with a high quantum yield. Fixation of rhodamine 6G molecules on the pore walls interferes with their association in the concentration range up to 10/sup 19/ cm/sup -3/. Concentration quenching of fluorescence is observed starting with a concentration of dye molecules of 5 x 10/sup 15/ cm/sup -3/; this is explained by inductive-resonance energy transfer between monomeric molecules under conditions of inhomogeneous broadening of the electronic spectra of the adsorbed molecules.

  2. Effects of Organic Molecules with Different Structures and Absorption Bandwidth on Modulating Photoresponse of MoS2 Photodetector.

    PubMed

    Huang, Yanmin; Zheng, Wei; Qiu, Yunfeng; Hu, PingAn

    2016-09-01

    Organic dye molecules possessing modulated optical absorption bandwidth and molecular structures can be utilized as sensitizing species for the enhancement of photodetector performance of semiconductor via photoinduced charge transfer mechanism. MoS2 photodetector were modified by drop-casting of methyl orange (MO), rhodamine 6G (R6G), and methylene blue (MB) with different molecular structures and extinction coefficients, and enhanced photodetector performance in terms of photocurrent, photoresponsity, photodetectivity, and external quantum efficiency were obtained after modification of MO, R6G, and MB, respectively. Furthermore, dyes showed different modulating abilities for photodetector performance after combination with MoS2, mainly due to the variation of molecular structures and optical absorption bandwidth. Among tested dyes, deposition of MB onto monolayer MoS2 grown by CVD resulted in photocurrent ∼20 times as high as pristine MoS2 due to favorable photoinduced charge transfer of photoexcited electrons from flat MB molecules to the MoS2 layer. Meanwhile, the corresponding photoresponsivity, photodetectivity, and an external quantum efficiency are 9.09 A W(1-), 2.2 × 10(11) Jones, 1729% at 610 nm, respectively. Photoinduced electron-transfer measurements of the pristine MoS2 and dye-modified MoS2 indicated the n-doping effect of dye molecules on the MoS2. Additionally, surface-enhanced Raman measurements also confirmed the direct correlation with charge transfer between organic dyes and MoS2 taking into account the chemically enhanced Raman scattering mechanism. Present work provides a new clue for the manipulation of high-performance of two-dimensional layered semiconductor-based photodetector via the combination of organic dyes. PMID:27530058

  3. Effects of Organic Molecules with Different Structures and Absorption Bandwidth on Modulating Photoresponse of MoS2 Photodetector.

    PubMed

    Huang, Yanmin; Zheng, Wei; Qiu, Yunfeng; Hu, PingAn

    2016-09-01

    Organic dye molecules possessing modulated optical absorption bandwidth and molecular structures can be utilized as sensitizing species for the enhancement of photodetector performance of semiconductor via photoinduced charge transfer mechanism. MoS2 photodetector were modified by drop-casting of methyl orange (MO), rhodamine 6G (R6G), and methylene blue (MB) with different molecular structures and extinction coefficients, and enhanced photodetector performance in terms of photocurrent, photoresponsity, photodetectivity, and external quantum efficiency were obtained after modification of MO, R6G, and MB, respectively. Furthermore, dyes showed different modulating abilities for photodetector performance after combination with MoS2, mainly due to the variation of molecular structures and optical absorption bandwidth. Among tested dyes, deposition of MB onto monolayer MoS2 grown by CVD resulted in photocurrent ∼20 times as high as pristine MoS2 due to favorable photoinduced charge transfer of photoexcited electrons from flat MB molecules to the MoS2 layer. Meanwhile, the corresponding photoresponsivity, photodetectivity, and an external quantum efficiency are 9.09 A W(1-), 2.2 × 10(11) Jones, 1729% at 610 nm, respectively. Photoinduced electron-transfer measurements of the pristine MoS2 and dye-modified MoS2 indicated the n-doping effect of dye molecules on the MoS2. Additionally, surface-enhanced Raman measurements also confirmed the direct correlation with charge transfer between organic dyes and MoS2 taking into account the chemically enhanced Raman scattering mechanism. Present work provides a new clue for the manipulation of high-performance of two-dimensional layered semiconductor-based photodetector via the combination of organic dyes.

  4. Rapid sequencing of DNA based on single-molecule detection

    NASA Astrophysics Data System (ADS)

    Soper, Steven A.; Davis, Lloyd M.; Fairfield, Frederick R.; Hammond, Mark L.; Harger, Carol A.; Jett, James H.; Keller, Richard A.; Marrone, Babetta L.; Martin, John C.; Nutter, Harvey L.; Shera, E. Brooks; Simpson, Daniel J.

    1991-07-01

    Sequencing the human genome is a major undertaking considering the large number of nucleotides present in the genome and the slow methods currently available to perform the task. The authors have recently reported on a scheme to sequence DNA rapidly using a non-gel based technique. The concept is based upon the incorporation of fluorescently labeled nucleotides into a strand of DNA, isolation and manipulation of a labeled DNA fragment and the detection of single nucleotides using ultra-sensitive laser-induced fluorescence detection following their cleavage from the fragment. Detection of individual fluorophores in the liquid phase was accomplished with time-gated detection following pulsed-laser excitation. The photon bursts from individual rhodamine 6G (R6G) molecules travelling through a laser beam have been observed, as have bursts from single fluorescently modified nucleotides. Using two different biotinylated nucleotides as a model system for fluorescently labeled nucleotides, the authors have observed synthesis of the complementary copy of M13 bacteriophage. Work with fluorescently labeled nucleotides is underway. Individual molecules of DNA attached to a microbead have been observed and manipulated with an epifluorescence microscope.

  5. Rapid sequencing of DNA based on single molecule detection

    SciTech Connect

    Soper, S.A.; Davis, L.M.; Fairfield, F.R.; Hammond, M.L.; Harger, C.A.; Jett, J.H.; Keller, R.A.; Marrone, B.L.; Martin, J.C.; Nutter, H.L.; Shera, E.B.; Simpson, D.J.

    1991-01-01

    Sequencing the human genome is a major undertaking considering the large number of nucleotides present in the genome and the slow methods currently available to perform the task. We have recently reported on a scheme to sequence DNA rapidly using a non-gel based technique. The concept is based upon the incorporation of fluorescently labeled nucleotides into a strand of DNA, isolation and manipulation of a labeled DNA fragment and the detection of single nucleotides using ultra-sensitive laser-induced fluorescence detection following their cleavage from the fragment. Detection of individual fluorophores in the liquid phase was accomplished with time-gated detection following pulsed-laser excitation. The photon bursts from individual rhodamine 6G (R6G) molecules travelling through a laser beam have been observed as have bursts from single fluorescently modified nucleotides. Using two different biotinylated nucleotides as a model system for fluorescently labeled nucleotides, we have observed synthesis of the complementary copy of M13 bacteriophage. Work with fluorescently labeled nucleotides is underway. We have observed and manipulated individual molecules of DNA attached to a microbead with an epifluorescence microscope. 16 refs., 3 figs., 1 tab.

  6. Mechanism for radiative energy transfer and expansion of the spectral lasing range in a rhodamine 6G--oxazine 17 system

    SciTech Connect

    Reva, M.G.; Akimov, A.I.; Korol'kova, N.V.; Kurokhtin, N.V.; Uzhinov, B.M.

    1985-12-01

    The nature of radiative transfer of electronic excitation energy from rhodamine 6G to oxazine 17 is determined. As a result of laser excitation, lasing in the acceptor (oxazine 17) is achieved due to absorption of donor (rhodamine 6G) luminescence by its molecules. The continuous tuning range of single-component ethanol solutions of rhodamine 6G and oxazine 17, and of a binary rhodamine 6G--oxazine 17 system with energy transfer, is determined.

  7. Computational study of Gleevec and G6G reveals molecular determinants of kinase inhibitor selectivity

    SciTech Connect

    Lin, Yen -Lin; Meng, Yilin; Huang, Lei; Roux, Benoît

    2014-10-22

    Gleevec is a potent inhibitor of Abl tyrosine kinase but not of the highly homologous c-Src kinase. Because the ligand binds to an inactive form of the protein in which an Asp-Phe-Gly structural motif along the activation loop adopts a so-called DFG-out conformation, it was suggested that binding specificity was controlled by a “conformational selection” mechanism. In this context, the binding affinity displayed by the kinase inhibitor G6G poses an intriguing challenge. Although it possesses a chemical core very similar to that of Gleevec, G6G is a potent inhibitor of both Abl and c-Src kinases. Both inhibitors bind to the DFG-out conformation of the kinases, which seems to be in contradiction with the conformational selection mechanism. To address this issue and display the hidden thermodynamic contributions affecting the binding selectivity, molecular dynamics free energy simulations with explicit solvent molecules were carried out. Relative to Gleevec, G6G forms highly favorable van der Waals dispersive interactions upon binding to the kinases via its triazine functional group, which is considerably larger than the corresponding pyridine moiety in Gleevec. Upon binding of G6G to c-Src, these interactions offset the unfavorable free energy cost of the DFG-out conformation. When binding to Abl, however, G6G experiences an unfavorable free energy penalty due to steric clashes with the phosphate-binding loop, yielding an overall binding affinity that is similar to that of Gleevec. Such steric clashes are absent when G6G binds to c-Src, due to the extended conformation of the phosphate-binding loop.

  8. Computational study of Gleevec and G6G reveals molecular determinants of kinase inhibitor selectivity

    DOE PAGES

    Lin, Yen -Lin; Meng, Yilin; Huang, Lei; Roux, Benoît

    2014-10-22

    Gleevec is a potent inhibitor of Abl tyrosine kinase but not of the highly homologous c-Src kinase. Because the ligand binds to an inactive form of the protein in which an Asp-Phe-Gly structural motif along the activation loop adopts a so-called DFG-out conformation, it was suggested that binding specificity was controlled by a “conformational selection” mechanism. In this context, the binding affinity displayed by the kinase inhibitor G6G poses an intriguing challenge. Although it possesses a chemical core very similar to that of Gleevec, G6G is a potent inhibitor of both Abl and c-Src kinases. Both inhibitors bind to themore » DFG-out conformation of the kinases, which seems to be in contradiction with the conformational selection mechanism. To address this issue and display the hidden thermodynamic contributions affecting the binding selectivity, molecular dynamics free energy simulations with explicit solvent molecules were carried out. Relative to Gleevec, G6G forms highly favorable van der Waals dispersive interactions upon binding to the kinases via its triazine functional group, which is considerably larger than the corresponding pyridine moiety in Gleevec. Upon binding of G6G to c-Src, these interactions offset the unfavorable free energy cost of the DFG-out conformation. When binding to Abl, however, G6G experiences an unfavorable free energy penalty due to steric clashes with the phosphate-binding loop, yielding an overall binding affinity that is similar to that of Gleevec. Such steric clashes are absent when G6G binds to c-Src, due to the extended conformation of the phosphate-binding loop.« less

  9. Effect of gold nanoparticles on the optical properties of Rhodamine 6G

    NASA Astrophysics Data System (ADS)

    Barzan, Mohammad; Hajiesmaeilbaigi, Fereshteh

    2016-05-01

    Gold nanoparticles are synthesized by the laser ablation method and characterized by transmission electron microscopy and UV-visible absorption spectroscopy. The absorption and emission spectra and powers of Rhodamine 6G in the absence and presence of 27 nm diameter gold nanoparticles were studied. Empirical measurements represented that presence of gold nanoparticles lead to decrease the fluorescence power and fluorescence quantum yield, and increase the absorbance and absorbed power of Rhodamine 6G. Also, Stern-Volmer quenching constant of dye in proximity of nanoparticles shows high value which implies efficient quenching of the dye fluorescence by gold nanoparticles. Fluorescence quantum yield, radiative and nonradiative decay rate of Rhodamine 6G-gold nanoparticles assembly, in parallel orientation, as a function of dye's dipole moment distance from gold nanoparticle's surface, based on Gersten-Nitzan model, are calculated. Calculations show variations of the fluorescence quenching is strongly depended on the distance between the dye molecules and the Nps' surface. Also, calculated radiative decay rate indicates good agreement with the experimental value, and results of the ratio of the nonradiative to the radiative decay rate of Rhodamine 6G-gold nanoparticles mixture show nonradiative energy transfer is better explained in terms of NSET rather than FRET mechanism.

  10. Sonocatalytic and sonophotocatalytic degradation of Rhodamine 6G containing wastewaters.

    PubMed

    Bokhale, Nileema B; Bomble, Snehal D; Dalbhanjan, Rachana R; Mahale, Deepika D; Hinge, Shruti P; Banerjee, Barnali S; Mohod, Ashish V; Gogate, Parag R

    2014-09-01

    The present work deals with degradation of aqueous solution of Rhodamine 6G (Rh 6G) using sonocatalytic and sonophotocatalytic treatment schemes based on the use of cupric oxide (CuO) and titanium dioxide (TiO2) as the solid catalysts. Experiments have been carried out at the operating capacity of 2 L and constant initial pH of 12.5. The effect of catalyst loading on the sonochemical degradation has been investigated by varying the loading over the range of 1.5-4.5 g/L. It has been observed that the maximum degradation of 52.2% was obtained at an optimum concentration of CuO as 1.5 g/L whereas for TiO2 maximum degradation was observed as 51.2% at a loading of 4 g/L over similar treatment period. Studies with presence of radical scavengers such as methanol (CH3OH) and n-butanol (C4H9OH) indicated lower extents of degradation confirming the dominance of radical mechanism. The combined approach of ultrasound, solid catalyst and scavengers has also been investigated at optimum loadings to simulate real conditions. The optimal solid loading was used for studies involving oxidation using UV irradiations where 26.4% and 28.9% of degradation was achieved at optimal loading of CuO and TiO2, respectively. Studies using combination of UV and US irradiations have also been carried out using the optimal concentration of the catalysts. It has been observed that maximum degradation of 63.3% is achieved using combined US and UV with TiO2 (4 g/L) as the photocatalyst. Overall it can be said that the combined processes give higher extent of degradation as compared to the individual processes based on US or UV irradiations.

  11. Investigating Two-Photon-Induced Fluorescence in Rhodamine-6G in Presence of Cetyl-Trimethyl-Ammonium-Bromide.

    PubMed

    Maurya, Sandeep Kumar; Yadav, Dheerendra; Goswami, Debabrata

    2016-09-01

    We investigate the effect of cetyl-trimethyl-ammonium-bromides (CTAB) concentration on the fluorescence of Rhodamine-6G in water. This spectroscopic study of Rhodamine-6G in presence of CTAB was performed using two-photon-induced-fluorescence at 780 nm wavelength using high repetition rate femtosecond laser pulses. We report an increment of ∼10 % in the fluorescence in accordance with ∼12 % enhancement in the absorption intensity of the dye molecule around the critical micellar concentration. We discuss the possible mechanism for the enhancement in the two-photon fluorescence intensity and the importance of critical micellar concentration. PMID:27324955

  12. Absorption-polarization characteristics of rhodamine 6G and its base in poly(methyl methacrylate)

    SciTech Connect

    Prishchepov, A.S.; Nizamou, N.

    1986-01-01

    Results are presented of the measurement and analysis of the absorption-polarization characteristics of rhodamine 6G and the base of rhodamine 6G (BR6G) in polymeric films of poly(methylmethacrylate) (PMMA). The absorption spectrum of a PMMA film containing BR6G and the cationic dye in the monomeric and associated states are shown.

  13. Laser induced fluorescence spectroscopy of various carbon nanostructures (GO, G and nanodiamond) in Rd6G solution

    PubMed Central

    Bavali, A.; Parvin, P.; Mortazavi, S. Z.; Nourazar, S. S.

    2015-01-01

    The effect of carbon nanostructures such as graphene (G), graphene oxide (GO) and nanodiamond (ND) on the spectral properties of Rhodamine 6G (Rd6G) emission due to the laser induced fluorescence (LIF) was investigated. It is shown that the addition of carbon nano- structures lead to sensible Red/Blue shifts which depend on the optical properties and surface functionality of nanoparticles. The current theories such as resonance energy transfer (RET), fluorescence quenching and photon propagation in scattering media support the experimental findings. Stern-Volmer curves for dynamic and static quenching of Rd6G molecules embedded with G, GO and nanodiamond are correlated with spectral shifts. Furthermore, time evolution of the spectral shift contributes to determine loading/release rates of fluorescent species with large S-parameter on the given nano-carriers. PMID:26137372

  14. Accurate and absolute diffusion measurements of Rhodamine 6G in low-concentration aqueous solutions by the PGSE-WATERGATE sequence

    SciTech Connect

    Majer, G.; Zick, K.

    2015-04-28

    A pulsed field gradient spin-echo nuclear magnetic resonance (NMR) sequence with solvent suppression (PGSE-WATERGATE) was applied to accurately measure the diffusion coefficients of Rhodamine 6G (Rh6G) in low-concentration aqueous solutions. Three samples with Rh6G concentrations of C{sub Rh6G} = 1, 4.5, and 25 μM were investigated. The precise determination of the diffusion coefficients in this low-concentration range was made possible by using a cryogenically cooled NMR probe and by the effective solvent suppression of the PGSE-WATERGATE sequence. The present results bridge the gap between diffusion data measured by fluorescence correlation spectroscopy in the single molecule limit and diffusivities obtained by pulsed field gradient NMR (PFG-NMR) without solvent suppression at higher concentrations. To further extend the concentration range, the diffusion coefficient of Rh6G was also measured on a sample with C{sub Rh6G} = 410 μM by PFG-NMR. The overall concentration dependence of the Rh6G diffusion at 25 °C is discussed in terms of dimerization of the Rh6G molecules. The concentration-dependent monomer/dimer proportion is deduced from the diffusion data.

  15. Cavity-enhanced spontaneous emission rates for rhodamine 6-G in levitated microdroplets

    SciTech Connect

    Barnes, M.D.; Whitten, W.B.; Ramsey, J.M. ); Arnold, S. )

    1992-01-01

    Fluorescence decay kinetics of Rhodamine 6-G molecules in levitated glycerol microdroplets (4--20 microns in diameter) have been investigated to determine the effects of spherical cavity resonances on spontaneous emission rates. For droplet diameters greater than 10 microns, the fluorescence lifetime is essentially the same as in bulk glycerol. As the droplet diameter is decreased below 10 microns, bi-exponential decay behavior is observed with a slow component whose rate is similar to bulk glycerol, and a fast component whose rate is as much as a factor of 10 larger than the bulk decay rate. This fast component is attributed to cavity enhancement of the spontaneous emission rate and, within the weak coupling approximation, a value for the homogeneous linewidth at room temperature can be estimated from the fluorescence lifetime data.

  16. Cavity-enhanced spontaneous emission rates for rhodamine 6-G in levitated microdroplets

    SciTech Connect

    Barnes, M.D.; Whitten, W.B.; Ramsey, J.M.; Arnold, S.

    1992-11-01

    Fluorescence decay kinetics of Rhodamine 6-G molecules in levitated glycerol microdroplets (4--20 microns in diameter) have been investigated to determine the effects of spherical cavity resonances on spontaneous emission rates. For droplet diameters greater than 10 microns, the fluorescence lifetime is essentially the same as in bulk glycerol. As the droplet diameter is decreased below 10 microns, bi-exponential decay behavior is observed with a slow component whose rate is similar to bulk glycerol, and a fast component whose rate is as much as a factor of 10 larger than the bulk decay rate. This fast component is attributed to cavity enhancement of the spontaneous emission rate and, within the weak coupling approximation, a value for the homogeneous linewidth at room temperature can be estimated from the fluorescence lifetime data.

  17. Air heating approach for multilayer etching and roll-to-roll transfer of silicon nanowire arrays as SERS substrates for high sensitivity molecule detection.

    PubMed

    Wang, Yan; Zhang, Xiujuan; Gao, Peng; Shao, Zhibin; Zhang, Xiwei; Han, Yuanyan; Jie, Jiansheng

    2014-01-22

    SiNW array represents an attractive system for construction of high-performance energy, electronic, and sensor devices. To meet the demand for flexible devices as well as address the concern about the full use of the Si material, large-area transfer of the SiNW array from growth substrate is very desirable. Here, we report a simple air heating approach to achieve the multilayer etched SiNW array. This method allows the fabrication of up to a five-layer (while perfectly three-layer) cracked SiNW array on single-crystalline Si wafer via a templateless metal-assisted etching approach. Fractures could happen at the crack position when an appropriate pressure was applied on the SiNW array, facilitating the wafer-scale layer-by-layer transfer of the SiNW array onto a flexible substrate through a low-cost and time-efficient roll-to-roll (R2R) technique. Further releasing of the SiNW array to other receiving substrates was accomplished with the aid of a thermal release tape. After modification with sliver nanoparticles (AgNPs), the flexible SiNW array showed great potential as a high-sensitivity surface-enhanced Raman spectroscopy (SERS) substrate for detecting rhodamine 6G (R6G) molecule with concentration as low as 10(-9) M.

  18. Development of magnetic luminescent core/shell nanocomplex particles with fluorescence using Rhodamine 6G

    SciTech Connect

    Lee, Hee Uk; Song, Yoon Seok; Park, Chulhwan; Kim, Seung Wook

    2012-12-15

    Graphical abstract: Display Omitted Highlights: ► A simple method was developed to synthesize Co-B/SiO{sub 2}/dye/SiO{sub 2} composite particles. ► The magnetic particle shows that highly luminescent and core/shell particles are formed. ► Such core/shell particles can be easily suspended in water. ► The magnetic particles could detect fluorescence for the application of biosensor. -- Abstract: A simple and reproducible method was developed to synthesize a novel class of Co-B/SiO{sub 2}/dye/SiO{sub 2} composite core/shell particles. Using a single cobalt core, Rhodamine 6G of organic dye molecules was entrapped in a silica shell, resulting in core/shell particles of ∼200 nm diameter. Analyses using a variety of techniques such as transmission electron microscopy, X-ray photoelectron spectroscopy, vibration sample magnetometry, confocal laser scanning microscopy, and fluorescence intensity demonstrated that dye molecules were trapped inside the core/shell particles. A photoluminescence investigation showed that highly luminescent and photostable core/shell particles were formed. Such core/shell particles can be easily suspended in water. The synthesized magnetic particles could be used to detect fluorescence on glass substrate arrays for bioassay and biosensor applications.

  19. When is a single molecule heterogeneous? A multidimensional answer and its application to dynamics near the glass transition

    NASA Astrophysics Data System (ADS)

    Verma, Sachin Dev; Vanden Bout, David A.; Berg, Mark A.

    2015-07-01

    Even for apparently simple condensed-phase processes, bulk measurements of relaxation often yield nonexponential decays; the rate appears to be dispersed over a range of values. Taking averages over individual molecules is an intuitive way to determine whether heterogeneity is responsible for such rate dispersion. However, this method is in fundamental conflict with ergodic behavior and often yields ambiguous results. This paper proposes a new definition of rate heterogeneity for ergodic systems based on multidimensional time correlation functions. Averages are taken over both time and molecules. Because the data set is not subdivided, the signal-to-noise ratio is improved. Moment-based quantities are introduced to quantify the concept of rate dispersion. As a result, quantitative statements about the fraction of the dispersion due to heterogeneity are possible, and the experimental noise is further averaged. The practicality of this approach is demonstrated on single-molecule, linear-dichroism trajectories for R6G in poly(cyclohexyl acrylate) near its glass transition. Single-molecule averaging of these data does not provide useful conclusions [C. Y. Lu and D. A. Vanden Bout, J. Chem. Phys. 125, 124701 (2006)]. However, full-ensemble, two- and three-dimensional averages of the same data give clear and quantitative results: the rate dispersion is 95% ± 5% due to heterogeneity, and the rate exchange is at least 11 times longer than the mean rotation time and possibly much longer. Based on these results, we suggest that the study of heterogeneous materials should not focus on "ensemble" versus "single-molecule" experiments, but on one-dimensional versus multidimensional measurements.

  20. [Fluorescence Resonance Energy Transfer Detection of Cobalt Ions by Silver Triangular Nanoplates and Rhodamine 6G].

    PubMed

    Zhang, Xiu-qing; Peng, Jun; Ling, Jian; Liu, Chao-juan; Cao, Qiu-e; Ding, Zhong-tao

    2015-04-01

    In the present paper, the authors studied fluorescence resonance energy transfer (FRET) phenomenon between silver triangular nanoplates and bovine serum albumin (BSA)/Rhodamine 6G fluorescence complex, and established a fluorescence method for the detection of cobalt ions. We found that when increasing the silver triangular nanoplates added to certain concentrations of fluorescent bovine serum albumin (BSA)/Rhodamine 6G complex, the fluorescence of Rhodamine 6G would be quenched up to 80% due to the FRET between the quencher and donor. However, in the presence of cobalt ions, the disassociation of the fluorescent complex from silver triangular nanoplates occurred and the fluorescence of the Rhodamine 6G recovered. The recovery of fluorescence intensity rate (I/I0) has a good relationship with the cobalt ion concentration (cCO2+) added. Thus, the authors developed a fluorescence method for the detection of cobalt ions based on the FRET of silver triangular nanoplates and Rhodamine 6G.

  1. Interleukin-6 G-174C gene polymorphism and serum resistin levels in North Indian women: potential risk of metabolic syndrome.

    PubMed

    Gupta, A; Gupta, V; Singh, A K; Tiwari, S; Agrawal, S; Natu, S M; Agrawal, C G; Negi, M P S; Pant, A B

    2011-10-01

    The present investigations were aimed to identify the possible association between genetic polymorphism in interleukin-6 (IL-6) G-174C gene, which confers susceptibility to metabolic syndrome, and serum level of resistin in North Indian women. The study population comprised 370 unrelated Indian women (192 having abdominal obesity and 178 controls). Polymorphism in genotype (CC+GC) of IL-6 G-174C gene was determined using a combination of polymerase chain reaction (PCR) and sequence-specific primer with restriction fragment length polymorphism (RFLP) technology. Insulin resistance (IR) and serum resistin level were also analyzed along with metabolic risk factors. Of 192 abdominal obese women, 147 (76.56%) were found to have mutant CC+GC (p = 0.001) genotype and allele frequency (p = 0.001), which was significantly higher 45 (23.44%) than non-obese and their respective wild type. The mutant genotype (CC+GC) of IL-6 gene was found to be associated significantly with high triglyceride (p = 0.025) and resistin level (p < 0.001), when compared with respective wild genotype (GG) in obese women. Non-obese women with no signs of metabolic risk factors were found to have significantly low level of serum resistin and IR in comparison to obese women having genetic polymorphism for IL-6 G-174C gene. Study suggests that IL-6 G-174C gene is one among the susceptibility loci for metabolic syndrome in North Indian women. Genotype for this polymorphism may prove informative for prediction of genetic risk for metabolic syndrome. Further, high level of serum resistin molecules may be targeted to correlate with metabolic syndrome risk factors and could be used as early prediction marker.

  2. Photodegradation and self-healing in a Rhodamine 6G dye and nanoparticle-doped polyurethane random laser

    NASA Astrophysics Data System (ADS)

    Anderson, Benjamin R.; Gunawidjaja, Ray; Eilers, Hergen

    2015-07-01

    One of the fundamental difficulties in implementing organic dyes in random lasers is irreversible photodegradation of the dye molecules, leading to loss of performance and the need to replace the dye. We report the observation of self-healing after photodegradation in a Rhodamine 6G dye and nanoparticle-doped polyurethane random laser. During irradiation, we observe two distinct temporal regions in which the random lasing emission first increases in intensity and redshifts, followed by further redshifting, spectral broadening, and decay in the emission intensity. After irradiation, the emission intensity is found to recover back to its peak value, while still being broadened and redshifted, which leads to the result of an enhancement of the spectrally integrated intensity. We also perform IR-VIS absorbance measurements and find that the results suggest that during irradiation, some of the dye molecules form dimers and trimers and that the polymer host is irreversibly damaged by photooxidation and Norrish type I photocleavage.

  3. Output characteristics of a laser utilizing rhodamine 6G in microporous glass

    SciTech Connect

    Al'tshuler, G.B.; Dul'neva, E.G.; Krylov, K.I.; Meshkovskii, I.K.; Urbanovich, V.S.

    1983-06-01

    A study was made of the lasing characteristics of new active media in the form of microporous glass containing a dye. The efficiency of conversion of the pump radiation, and the spatial and frequency spectra of the output radiation were determined for lasers with dispersive and nondispersive resonators and with active elements in the form of an ethanol solution of rhodamine 6G or microporous glass containing either rhodamine 6G or its ethanol solution. It was found that the use of active elements made of microporous glass and containing rhodamine 6G improved considerably the spatial characteristics of the output radiation compared with those obtained using liquid active media.

  4. Rhodamine-6G can photosensitize folic acid decomposition through electron transfer

    NASA Astrophysics Data System (ADS)

    Hirakawa, Kazutaka; Ito, Hiroki

    2015-05-01

    Rhodamine-6G photosensitized folic acid decomposition in aqueous solution, and its quantum yield in the presence of 10 μM folic acid was 9.9 × 10-6. A possible mechanism of this photodecomposition is direct oxidation through an electron transfer from folic acid to rhodamine-6G. The fluorescence lifetime of rhodamine-6G was slightly decreased by folic acid, suggesting electron transfer in the excited singlet state of rhodamine-6G. The quenching rate coefficient estimated from the Stern-Volmer plot of the fluorescence quenching supported that this electron transfer proceeds as a diffusion-controlled reaction. The quantum yields of the electron transfer and the following reaction could be determined.

  5. Transient absorption in water-micellar solutions of rhodamine 6G with flash lamp excitation

    SciTech Connect

    Levin, M.B.; Cherkasov, A.S.

    1986-06-01

    This paper studies the kinetics of transient losses in water-micellar solutions of rhodamine 6G by using flash lamp excitation. During the experiments, the laser radiation energy was measured, the time evolution of stimulated emission spectra was recorded; pulse shape was monitored by an oscillograph. The change of generation characteristics of water-micellar solutions of rhodamine 6G as a function of cyclooctatetraene concentration is shown.

  6. Photophysical properties of lasing mixed solutions of oxazine 17 and rhodamine 6G

    SciTech Connect

    Levshin, L.V.; Saletskii, A.M.; Yuzhakov, V.I.

    1985-09-01

    This paper presents the results of the effect of triplet states of the donor component, for which Rhodamine 6G was used, on the lasing characteristics of lamp-pumped solutions of this dye, oxazine. The energy and spectral properties are studied and the results analyzed.

  7. Methods for reducing the divergence of lamp-excited rhodamine 6G solution lasers

    SciTech Connect

    Smirnov, V.S.

    1980-11-01

    Different methods for reducing the divergence of rhodamine 6G solution lasers with lamp pumping are studied experimentally. A reduction of divergence to 2--4 mrad is achieved. It is shown that some methods provide such low divergence for comparatively low losses of lasing energy.

  8. Homogeneous linewidths of Rhodamine 6G at room temperature from cavity-enhanced spontaneous emission rates

    SciTech Connect

    Barnes, M.D.; Whitten, W.B.; Arnold, S.; Ramsey, J.M. )

    1992-11-15

    Fluorescence lifetimes of Rhodamine 6G in levitated micron-sized droplets have been measured using a time-correlated photon counting technique. The coupling of emission into spherical cavity modes of the droplet results in significant emission rate enhancements which allow estimation of the homogeneous linewidth at room temperature.

  9. Fluorescent Ly6G antibodies determine macrophage phagocytosis of neutrophils and alter the retrieval of neutrophils in mice.

    PubMed

    Bucher, Kirsten; Schmitt, Fee; Autenrieth, Stella E; Dillmann, Inken; Nürnberg, Bernd; Schenke-Layland, Katja; Beer-Hammer, Sandra

    2015-09-01

    Fluorescently labeled Ly6G antibodies enable the tracking of neutrophils in mice, whereas purified anti-Ly6G rapidly depletes neutrophils from the circulation. The mechanisms underlying neutrophil depletion are still under debate. Here, we examined how identical Ly6G antibodies coupled to different fluorochromes affect neutrophil fate in vivo. BM cells stained with Ly6G antibodies were injected into mice. The number of retrieved anti-Ly6G-FITC(+) cells was reduced significantly in comparison with anti-Ly6G-APC(+) or anti-Ly6G-PE(+) cells. Flow cytometry and multispectral imaging flow cytometry analyses revealed that anti-Ly6G-FITC(+) neutrophils were preferentially phagocytosed by BMMs in vitro and by splenic, hepatic, and BM macrophages in vivo. Direct antibody injection of anti-Ly6G-FITC but not anti-Ly6G-PE depleted neutrophils to the same degree as purified anti-Ly6G, indicating that the FITC-coupled antibody eliminates neutrophils by a similar mechanism as the uncoupled antibody. With the use of a protein G-binding assay, we demonstrated that APC and PE but not FITC coupling inhibited access to interaction sites on the anti-Ly6G antibody. We conclude the following: 1) that neutrophil phagocytosis by macrophages is a central mechanism in anti-Ly6G-induced neutrophil depletion and 2) that fluorochrome-coupling can affect functional properties of anti-Ly6G antibodies, thereby modifying macrophage uptake of Ly6G-labeled neutrophils and neutrophil retrieval following adoptive cell transfer or injection of fluorescent anti-Ly6G.

  10. Fluorescent Ly6G antibodies determine macrophage phagocytosis of neutrophils and alter the retrieval of neutrophils in mice.

    PubMed

    Bucher, Kirsten; Schmitt, Fee; Autenrieth, Stella E; Dillmann, Inken; Nürnberg, Bernd; Schenke-Layland, Katja; Beer-Hammer, Sandra

    2015-09-01

    Fluorescently labeled Ly6G antibodies enable the tracking of neutrophils in mice, whereas purified anti-Ly6G rapidly depletes neutrophils from the circulation. The mechanisms underlying neutrophil depletion are still under debate. Here, we examined how identical Ly6G antibodies coupled to different fluorochromes affect neutrophil fate in vivo. BM cells stained with Ly6G antibodies were injected into mice. The number of retrieved anti-Ly6G-FITC(+) cells was reduced significantly in comparison with anti-Ly6G-APC(+) or anti-Ly6G-PE(+) cells. Flow cytometry and multispectral imaging flow cytometry analyses revealed that anti-Ly6G-FITC(+) neutrophils were preferentially phagocytosed by BMMs in vitro and by splenic, hepatic, and BM macrophages in vivo. Direct antibody injection of anti-Ly6G-FITC but not anti-Ly6G-PE depleted neutrophils to the same degree as purified anti-Ly6G, indicating that the FITC-coupled antibody eliminates neutrophils by a similar mechanism as the uncoupled antibody. With the use of a protein G-binding assay, we demonstrated that APC and PE but not FITC coupling inhibited access to interaction sites on the anti-Ly6G antibody. We conclude the following: 1) that neutrophil phagocytosis by macrophages is a central mechanism in anti-Ly6G-induced neutrophil depletion and 2) that fluorochrome-coupling can affect functional properties of anti-Ly6G antibodies, thereby modifying macrophage uptake of Ly6G-labeled neutrophils and neutrophil retrieval following adoptive cell transfer or injection of fluorescent anti-Ly6G. PMID:26019296

  11. [Fluorescence Determination of Trace Se with the Hydride-K13-Rhodamine 6G System].

    PubMed

    Liang, Ai-hui; Li, Yuan; Huang, Shan-shan; Luo, Yang-he; Wen, Gui-qing; Jiang, Zhi-liang

    2015-05-01

    Se is a necessary trace element for human and animals, but the excess intake of Se caused poison. Thus, it is very important to determination of Se in foods and water. The target of this study is development of a new, sensitive and selective hydride generation-molecular fluorescence method for the determination of Se. In 0. 36 mol . L-1 sulfuric acid, NaBH4 as reducing agent, Se (IV) is reduced to H2 Se. Usin3-g I solution as absorption liquid3, I- is reduced to I- by H2Se. When adding rhodamine 6G, Rhodamine 6G and I3- form association particles, which lead to the fluorescence intensity decreased. When Se(IV) existing, Rhodamine 6G and I3- bind less, And the remaining amount of Rhodamine 6G increase. So the fluorescence intensity is enhanced. The analytical conditions were optimized, a 0. 36 ml . L-1 H2SO4, 21. 6.g . L-1 NaBH4, 23.3 µm . L-1 rhodamine 6G, and 50 µmol . L-1 KI3 were chosen for use. When the excitation wavelength is at 480nm, the Rayleigh scattering peak does not affect the fluorescence recording, and was selected for determination of Se. Under the selected conditions, Se(IV) concentration in the 0. 02~0. 60 µg . mL-1 range and the increase value of the fluorescence intensity (ΔF) at 562 nm linear relationship. The linear regression equation is ΔF562 nm =12. 6c + 20. 9. The detecton limit was 0.01 µ.g . L-1. The influence of coexistence substances on the hydride generatin-molecular fluorescence determination of 5. 07 X10(-6) mol . L-1 Se(IV) was considered in details. Results showed that this new fluorescence method is of high selectivity, that is, 0. 5 mmol. L-1 Ba2+, Ca2+, Zn2+ and Fe3+, 0. 25 mmol . L-1 . Mg2+, 0. 05 mmol . L-1 K+, 0. 2 mmol . L-1 Al3+, 0. 025 mmol . L-1 Te(VI) do not interfere with the determination. The influence of Hg2+, CD2+ and Cu2+ that precipitate with Se(IV), can be eliminated by addition of complex reagent. This hydride generation-molecular fluorescence method has been applied to determination of trace Se in water

  12. Effect of relaxation processes on fluorescence lifetime and polarization characteristics of rhodamine 6G in glycerol

    SciTech Connect

    Levshin, L.V.; Struganova, I.A.; Tolevtaev, B.N.

    1986-11-01

    Some new phenomena which can be attributed to the relaxation kinetics of the distribution halfwidth over the 0-0 frequencies for organic dye solutions have been discovered in the present work. The kinetic and polarization characteristics of flourescence from the viscous dipolar solutions of the dyes exhibiting dynamic inhomogeneous broadening upon excitation near the absorption band center have been studied. The objects of the study are rhodamine 6G solutions in glycerol and ethanol at the concentration 10/sup -//sub 6/ mole/liter. It was concluded that the presence of the dip in the flourescence lifetime and the hump in the fluorescence polarization dependences on emission wavelength in the viscous dipolar solution of rhodamine 6G has been detected. The phenomena have been explained by the formation of the excited-state nonequilibrium distribution of the flourescence centers over the 0-0 transition frequencies upon monochromatic excitation and by the subsequent relaxation of the nonequilibrium distribution into the equilibrium one.

  13. Study of photoproducts of Rhodamine 6G in ethanol upon powerful laser pumping

    SciTech Connect

    Batishche, S.A.; Malevich, N.A.; Mostovnikov, V.A.

    1995-04-01

    Absorption spectra of rhodamine 6G in ethanol solution are measured using, the technique of laser probing upon pumping by a doubled Nd {sup 3+}:YAG laser with pulse length{tau}{sub 01}{approx_equal}16ns. It is shown that, at the pumping energy density {ge}1.5 J/cm{sup 2}, short-lived ({tau} < 25 ns) and long-lived photoproducts formed in the dye solution, which absorbed in a wide spectral range, including the lasing region. The estimates show that the probability of rhodamine 6G transformation to the photoproduct upon three-step excitation at 532 nm achieves {approximately}2.5 X 10{sup -3}. It is noted that, in order to obtain reliable spectroscopic information using this technique, one should take into account the intense scattering of probing radiation by thermal noise gratings, which are formed due to self-diffraction of the pumping radiation into noise components.

  14. Random lasing from Rhodamine 6G doped ethanediol solution based on the cicada wing nanocones

    NASA Astrophysics Data System (ADS)

    Zhang, Hua; Feng, Guoying; Zhang, Hong; Yang, Chao; Yin, Jiajia; Dai, Shenyu; Zhou, Shouhuan

    2016-06-01

    Random lasing from Rhdomaine 6G (Rh6G) doped ethanediol solution based on the cicada wing nanostructures as scatterers has been demonstrated. The optical positive feedback of the random laser is provided by these nanocones on the cicada wing, where the scale of the nanocones and the distance between them is about 150 nm and 200 nm, respectively. Al-coated reflector has been introduced to reduce the loss of the pump energy from the bottom, and moreover lower the laser threshold, which is about 126.0 μJ/pulse. Due to the liquid gain medium, the lifetime of this random laser is longer than conventional random lasers. This random laser shows the potential applications in biological random laser and photonic devices.

  15. An assessment of the ICE6G_C(VM5a) glacial isostatic adjustment model

    NASA Astrophysics Data System (ADS)

    Purcell, A.; Tregoning, P.; Dehecq, A.

    2016-05-01

    The recent release of the next-generation global ice history model, ICE6G_C(VM5a), is likely to be of interest to a wide range of disciplines including oceanography (sea level studies), space gravity (mass balance studies), glaciology, and, of course, geodynamics (Earth rheology studies). In this paper we make an assessment of some aspects of the ICE6G_C(VM5a) model and show that the published present-day radial uplift rates are too high along the eastern side of the Antarctic Peninsula (by ˜8.6 mm/yr) and beneath the Ross Ice Shelf (by ˜5 mm/yr). Furthermore, the published spherical harmonic coefficients—which are meant to represent the dimensionless present-day changes due to glacial isostatic adjustment (GIA)—contain excessive power for degree ≥90, do not agree with physical expectations and do not represent accurately the ICE6G_C(VM5a) model. We show that the excessive power in the high-degree terms produces erroneous uplift rates when the empirical relationship of Purcell et al. (2011) is applied, but when correct Stokes coefficients are used, the empirical relationship produces excellent agreement with the fully rigorous computation of the radial velocity field, subject to the caveats first noted by Purcell et al. (2011). Using the Australian National University (ANU) groups CALSEA software package, we recompute the present-day GIA signal for the ice thickness history and Earth rheology used by Peltier et al. (2015) and provide dimensionless Stokes coefficients that can be used to correct satellite altimetry observations for GIA over oceans and by the space gravity community to separate GIA and present-day mass balance change signals. We denote the new data sets as ICE6G_ANU.

  16. Study of laser emission losses in rhodamine 6G solutions under quasilongitudinal laser excitation

    SciTech Connect

    Aristov, A.V.; Eremenko, A.S.; Nikolaev, A.B.

    1986-08-01

    As a result of studies of the reciprocal of the quantum yield of stimulated laser emission as a function of the reciprocal of the useful loss factor, a quantitative dependence of induced losses in the pumping and lasing channels on the volume density of absorbed exciting radiation has been established. It is concluded from quantitative evidence that the margin of an appreciable increase in lasing efficiency for rhodamine 6G solutions consists in a decrease of the pumping-induced light scattering.

  17. Narrow bandwidth tuning of rhodamine 6G dye pumped by a XeCl excimer laser

    SciTech Connect

    Shangguan Cheng; Ling Ying-yi; Wang Yi-man; Dou Ai-rong; Huang Dan-hong

    1986-03-01

    In this paper the experimental study for narrow bandwidth tuning of ethylene glycol solution of rhodamine 6G pumped by a XeCl excimer laser is reported. The tunable range from 572.7 nm to 612.9 nm with linewidth of 0.004 nm has been obtained. The conversion efficiency is 16.0%. The experimental results of seven other dyes are also presented.

  18. Pressure-induced shifts of the fluorescence spectrum of rhodamine 6G in solution

    SciTech Connect

    Zhang, B.; Chandrasekhar, M.; Chandrasekhar, H.R.

    1985-09-01

    The effect of hydrostatic pressure on the fluorescence spectrum of rhodamine 6G dye in two different solutions is studied. The peak shifts to longer wavelengths with increasing pressure with a pressure coefficient of -29 and -19 cm/sup -1//kbar for ethanol and 4:1 methanol-ethanol solvents, respectively. Possible applications of increasing the tunability of dye lasers by pressure are discussed.

  19. Evaluating Heat Pipe Performance in 1/6 g Acceleration: Problems and Prospects

    NASA Technical Reports Server (NTRS)

    Jaworske, Donald A.; McCollum, Timothy A.; Gibson, Marc A.; Sanzi, James L.; Sechkar, Edward A.

    2011-01-01

    Heat pipes composed of titanium and water are being considered for use in the heat rejection system of a fission power system option for lunar exploration. Placed vertically on the lunar surface, the heat pipes would operate as thermosyphons in the 1/6 g environment. The design of thermosyphons for such an application is determined, in part, by the flooding limit. Flooding is composed of two components, the thickness of the fluid film on the walls of the thermosyphon and the interaction of the fluid flow with the concurrent vapor counter flow. Both the fluid thickness contribution and interfacial shear contribution are inversely proportional to gravity. Hence, evaluating the performance of a thermosyphon in a 1 g environment on Earth may inadvertently lead to overestimating the performance of the same thermosyphon as experienced in the 1/6 g environment on the moon. Several concepts of varying complexity have been proposed for evaluating thermosyphon performance in reduced gravity, ranging from tilting the thermosyphons on Earth based on a cosine function, to flying heat pipes on a low-g aircraft. This paper summarizes the problems and prospects for evaluating thermosyphon performance in 1/6 g.

  20. TRPC6 G757D Loss-of-Function Mutation Associates with FSGS.

    PubMed

    Riehle, Marc; Büscher, Anja K; Gohlke, Björn-Oliver; Kaßmann, Mario; Kolatsi-Joannou, Maria; Bräsen, Jan H; Nagel, Mato; Becker, Jan U; Winyard, Paul; Hoyer, Peter F; Preissner, Robert; Krautwurst, Dietmar; Gollasch, Maik; Weber, Stefanie; Harteneck, Christian

    2016-09-01

    FSGS is a CKD with heavy proteinuria that eventually progresses to ESRD. Hereditary forms of FSGS have been linked to mutations in the transient receptor potential cation channel, subfamily C, member 6 (TRPC6) gene encoding a nonselective cation channel. Most of these TRPC6 mutations cause a gain-of-function phenotype, leading to calcium-triggered podocyte cell death, but the underlying molecular mechanisms are unclear. We studied the molecular effect of disease-related mutations using tridimensional in silico modeling of tetrameric TRPC6. Our results indicated that G757 is localized in a domain forming a TRPC6-TRPC6 interface and predicted that the amino acid exchange G757D causes local steric hindrance and disruption of the channel complex. Notably, functional characterization of model interface domain mutants suggested a loss-of-function phenotype. We then characterized 19 human FSGS-related TRPC6 mutations, the majority of which caused gain-of-function mutations. However, five mutations (N125S, L395A, G757D, L780P, and R895L) caused a loss-of-function phenotype. Coexpression of wild-type TRPC6 and TRPC6 G757D, mimicking heterozygosity observed in patients, revealed a dominant negative effect of TRPC6 G757D. Our comprehensive analysis of human disease-causing TRPC6 mutations reveals loss of TRPC6 function as an additional concept of hereditary FSGS and provides molecular insights into the mechanism responsible for the loss-of-function phenotype of TRPC6 G757D in humans. PMID:26892346

  1. An assessment of the ICE6G_C (VM5A) glacial isostatic adjustment model

    NASA Astrophysics Data System (ADS)

    Purcell, Anthony; Tregoning, Paul; Dehecq, Amaury

    2016-04-01

    The recent release of the next-generation global ice history model, ICE6G_C(VM5a) [Peltier et al., 2015, Argus et al. 2014] is likely to be of interest to a wide range of disciplines including oceanography (sea level studies), space gravity (mass balance studies), glaciology and, of course, geodynamics (Earth rheology studies). In this presentation I will assess some aspects of the ICE6G_C(VM5a) model and the accompanying published data sets. I will demonstrate that the published present-day radial uplift rates are too high along the eastern side of the Antarctic Peninsula (by ˜8.6 mm/yr) and beneath the Ross Ice Shelf (by ˜5 mm/yr). Further, the published spherical harmonic coefficients - which are meant to represent the dimensionless present-day changes due to glacial isostatic adjustment (GIA) - will be shown to contain excessive power for degree ≥ 90, to be physically implausible and to not represent accurately the ICE6G_C(VM5a) model. The excessive power in the high degree terms produces erroneous uplift rates when the empirical relationship of Purcell et al. [2011] is applied but, when correct Stokes' coefficients are used, the empirical relationship will be shown to produce excellent agreement with the fully rigorous computation of the radial velocity field, subject to the caveats first noted by Purcell et al. [2011]. Finally, a global radial velocity field for the present-day GIA signal, and corresponding Stoke's coefficients will be presented for the ICE6GC ice model history using the VM5a rheology model. These results have been obtained using the ANU group's CALSEA software package and can be used to correct satellite altimetry observations for GIA over oceans and by the space gravity community to separate GIA and present-day mass balance change signals without any of the shortcomings of the previously published data-sets. We denote the new data sets ICE6G_ANU.

  2. Amplified spontaneous emission of Rhodamine 6G embedded in pure deoxyribonucleic acid

    NASA Astrophysics Data System (ADS)

    Rau, Ileana; Szukalski, Adam; Sznitko, Lech; Miniewicz, Andrzej; Bartkiewicz, Stanislaw; Kajzar, Francois; Sahraoui, Bouchta; Mysliwiec, Jaroslaw

    2012-10-01

    Deoxyribonucleic acid (DNA) is commonly viewed as a genetic information carrier. However, now it is recognized as a nanomaterial, rather than as a biological material, in the research field of nanotechnology. Here, we show that using pure DNA, doped with rhodamine 6G, we are able to observe amplified spontaneous emission (ASE) phenomenon. Moderate ASE threshold, photodegradation, and reasonable gain coefficient observed in this natural host gives some perspectives for practical applications of this system in biophotonics. Obtained results open the way and will be leading to construction of truly bio-lasers using nature made luminophores, such as anthocyanins.

  3. Efficient photocatalytic degradation of rhodamine 6G with a quantum dot-metal organic framework nanocomposite.

    PubMed

    Kaur, Rajnish; Vellingiri, Kowsalya; Kim, Ki-Hyun; Paul, A K; Deep, Akash

    2016-07-01

    The hybrid structures of metal organic frameworks (MOFs) and nanoparticles may offer the realization of effective photocatalytic materials due to combined benefits of the porous and molecular sieving properties of MOF matrix and the functional characteristics of encapsulated nanoparticles. In this study, cadmium telluride (CdTe) quantum dots (QD) are conjugated with a europium-MOF for the synthesis of a novel nanocomposite material with photocatalytic properties. Successful synthesis of a QD/Eu-MOF nanocomposite was characterized with various spectroscopic and microscopic techniques. This QD/Eu-MOF is found to be an effective catalyst to complete the degradation of Rhodamine 6G dye within 50 min. PMID:27101017

  4. A sensitive fluorescence method for detection of E. Coli using rhodamine 6G dyeing.

    PubMed

    Wang, Yaohui; Jiang, Caina; Wen, Guiqing; Zhang, Xinghui; Luo, Yanghe; Qin, Aimiao; Liang, Aihui; Jiang, Zhiliang

    2016-06-01

    Negatively charged bacteria combined with positively charged alkaline dye rhodamine 6G (Rh6G) in NaH2 PO4 -Na2 HPO4 buffer solution pH 7.4, by electrostatic interaction. The dyed bacteria exhibited a strong fluorescence peak at 552 nm and fluorescence intensity was directly linear to Escherichia coli (E. coli), Bacillus subtilis (B. subtilis) and Staphylococcus aureus (S. aureus) concentrations in the range of 7.06 × 10(4) to 3.53 × 10(7) , 4.95 × 10(5) to 2.475 × 10(8) and 32.5 to 16250 colony forming unit/mL (cfu/mL) respectively, with detection limits of 3.2 × 10(4) cfu/mL E. coli, 2.3 × 10(5) cfu/mL B. subtilis and 16 cfu/mL S. aureus, respectively. Samples were cultured for 12 h, after which the linear detection range for E. coli was 2 to 88 cfu/mL. This simple, rapid and sensitive method was used for the analysis of water and drinking samples. Copyright © 2015 John Wiley & Sons, Ltd.

  5. A three-dimensional silver nanoparticles decorated plasmonic paper strip for SERS detection of low-abundance molecules.

    PubMed

    Li, Yixin; Zhang, Kun; Zhao, Jingjing; Ji, Ji; Ji, Chang; Liu, Baohong

    2016-01-15

    The fabrication of SERS substrates, which can offer the advantages of strong Raman signal enhancement with good reproducibility and low cost, is still a challenge for practical applications. In this work, a simple three-dimensional (3D) paper-based SERS substrate, which contains plasmonic silver-nanoparticles (AgNPs), has been developed by the silver mirror reaction. This paper strip was characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray diffraction (XRD), etc. Pretreatment of the paper as well as the reaction time, temperature, and reagent concentrations for the silver mirror reaction were varied for further studies. With the optimized experimental parameters, the AgNPs synthesized and distributed in-situ on the paper strip could give more favorable SERS performance. The limit of detection (LOD) as low as 10(-11)M for Rhodamine 6G (R6G) and 10(-9)M for p-aminothiophenol (p-ATP) plus wide linear range for the log-log plot of Raman intensity versus analyte concentration were achieved. The detection of R6G in rain water was also carried out successfully. The merits of this protocol include low cost, easy operation, high sensitivity and acceptable stability, which make it ideal for the detection of environmental samples in trace amounts.

  6. Band-edge lasing in Rh6G-doped dichromated gelatin at different excitations

    NASA Astrophysics Data System (ADS)

    Ying, Cui-Feng; Zhou, Wen-Yuan; Ye, Qing; Zhang, Xiao-Liang; Tian, Jian-Guo

    2010-11-01

    One-dimensional photonic crystal band-edge lasing at different excitations was studied experimentally by altering the excitation angle. We considered almost every condition including in-band, out-of-band and near the band edge while keeping the density of states unchanged. Holographic rhodamin 6G-doped dichromated gelatin was used for creating low-threshold photonic band-edge lasing (PBEL). Lasing actions excited near the high-energy and low-energy band edges were observed simultaneously, and their full widths at half maximum were different. The results show that the PBEL intensity and pump efficiency are sensitive to the excitation angle, enhanced obviously at the excitation near the band edge and suppressed distinctly in the band which agreed well with the theoretical prediction. We also demonstrated for the first time that active matters exist not only in the air voids but also in the high-index regions of the gelatin.

  7. Repair of O6-G-alkyl-O6-G interstrand cross-links by human O6-alkylguanine-DNA alkyltransferase†

    PubMed Central

    Fang, Qingming; Noronha, Anne M.; Murphy, Sebastian P.; Wilds, Christopher J.; Tubbs, Julie L.; Tainer, John A.; Chowdhury, Goutam; Guengerich, F. Peter; Pegg, Anthony E.

    2008-01-01

    O6-Alkylguanine-DNA alkyltransferase (AGT) plays an important role protecting cells from alkylating agents. This reduces carcinogenesis and mutagenesis initiated by such agents but AGT also provides a major resistance mechanism to some chemotherapeutic drugs. In order to improve understanding of the AGT-mediated repair reaction and to increase understanding of the spectrum of repairable damage, we have studied the ability of AGT to repair interstrand cross-link DNA damage where the two DNA strands are joined via the guanine-O6 in each strand. An oligodeoxyribonucleotide containing a heptane cross-link was repaired with initial formation of an AGT-oligo complex and further reaction of a second AGT molecule yielding a hAGT dimer and free oligo. However, an oligodeoxyribonucleotide with a butane cross-link was a very poor substrate for AGT-mediated repair and only the first reaction to form an AGT-oligo complex could be detected. Models of the reaction of these substrates in the AGT active site show that the DNA duplex is forced apart locally to repair the first guanine. This reaction is greatly hindered with the butane cross-link, which is mostly buried in the active site pocket and limited in conformational flexibility. This limitation also prevents the adoption of a conformation for the second reaction to repair the AGT-oligo complex. These results are consistent with the postulated mechanism of AGT repair that involves DNA binding and flipping of the substrate nucleotide and indicate that hAGT can repair some types of interstrand cross-link damages. PMID:18803403

  8. A study of the interaction between rhodamine 6g and hydroxy propyl β-cyclodextrin by steady state fluorescence

    NASA Astrophysics Data System (ADS)

    Bakkialakshmi, S.; menaka, T.

    2011-10-01

    The binding of rhodamine 6G and hydroxy propyl β-cyclodextrin (Hβ-CD) was investigated measuring fluorescence and absorption at pH 7.0. The solid inclusion complex of Rh6G and Hβ-CD has been studied by Ultraviolet (UV) spectroscopy, Fluorimetry, Fourier Transform Infrared (FTIR), 1H Nuclear Magnetic Resonance ( 1HNMR) and in the Scanning Electron Microscope (SEM). Association constant Kg and Ke were determined by the enhancement of the fluorescence of rhodamine 6G in the presence of Hβ-CD. Fluorescence of Rh6G is generally enhanced, in complexes of Rh6G and β-Cyclodextrin in aqueous solutions. The free energy change for the ground state (Δ Gg) and for the excited state (Δ Ge) have also been determined. The experimental results indicated that the inclusion process is an exothermic and spontaneous.

  9. A study of the interaction between rhodamine 6g and hydroxy propyl β-cyclodextrin by steady state fluorescence.

    PubMed

    Bakkialakshmi, S; Menaka, T

    2011-10-15

    The binding of rhodamine 6G and hydroxy propyl β-cyclodextrin (Hβ-CD) was investigated measuring fluorescence and absorption at pH 7.0. The solid inclusion complex of Rh6G and Hβ-CD has been studied by Ultraviolet (UV) spectroscopy, Fluorimetry, Fourier Transform Infrared (FTIR), (1)H Nuclear Magnetic Resonance ((1)HNMR) and in the Scanning Electron Microscope (SEM). Association constant K(g) and K(e) were determined by the enhancement of the fluorescence of rhodamine 6G in the presence of Hβ-CD. Fluorescence of Rh6G is generally enhanced, in complexes of Rh6G and β-Cyclodextrin in aqueous solutions. The free energy change for the ground state (ΔG(g)) and for the excited state (ΔG(e)) have also been determined. The experimental results indicated that the inclusion process is an exothermic and spontaneous.

  10. Time resolved FRET measurement in various heterogeneous media using merocyanine dye as a donor

    NASA Astrophysics Data System (ADS)

    Kedia, Niraja; Bagchi, Sanjib

    2015-06-01

    Ultrafast fluorescence resonance energy transfer (FRET) from a merocyanine dye to a Rhodamine 6G (R6G) molecule in micelles formed by the surfactants SDS and DTAB and also in a catanionic vesicle formed by SDS and DTAB has been studied by picosecond time resolved emission spectroscopy. Here the dye acts as a donor molecule and R6G acts as the acceptor molecule. Multiple timescales of FRET have been detected, namely, an ultrafast component of 100-500 ps and relatively long component (1800-3300 ps). The different time scales are attributed to different donor-acceptor distances.

  11. Time resolved FRET measurement in various heterogeneous media using merocyanine dye as a donor.

    PubMed

    Kedia, Niraja; Bagchi, Sanjib

    2015-06-15

    Ultrafast fluorescence resonance energy transfer (FRET) from a merocyanine dye to a Rhodamine 6G (R6G) molecule in micelles formed by the surfactants SDS and DTAB and also in a catanionic vesicle formed by SDS and DTAB has been studied by picosecond time resolved emission spectroscopy. Here the dye acts as a donor molecule and R6G acts as the acceptor molecule. Multiple timescales of FRET have been detected, namely, an ultrafast component of 100-500 ps and relatively long component (1800-3300 ps). The different time scales are attributed to different donor-acceptor distances.

  12. Molecular orientation of submonolayer rhodamine-6G on quartz substrates: A comparative study using reflection and transmission UV-Vis spectroscopy

    SciTech Connect

    Elking, M.D.; He, G.; Xu, Z.

    1996-10-01

    Reflection and transmission UV-Vis spectroscopy have been applied to study the molecular orientation and surface density of rhodamine-6G molecules physisorbed on optically flat quartz (SiO{sub 2}) substrates. Our results have shown that for the {ital s}-polarized excitation, the submonolayer of physisorbed rhodamine-6G dye molecules causes enhanced reflection in the wavelength region from 400 nm to 600 nm where the electronic transition takes place. For the {ital p}-polarized excitation, the reflection is enhanced when the angle of incidence is smaller than Brewster{close_quote}s angle of quartz at 55.6{degree}, and the reflection is reduced when the angle of incidence is larger than Brewster{close_quote}s angle of quartz. An independent method has been established in this paper by which the molecular orientation can be determined accurately by carrying out optical measurements in both the reflection and transmission directions. {copyright} {ital 1996 American Institute of Physics.}

  13. Chitosan, nanoclay and chitosan-nanoclay composite as adsorbents for Rhodamine-6G and the resulting optical properties.

    PubMed

    Vanamudan, Ageetha; Pamidimukkala, Padmaja

    2015-03-01

    The objective of this study was to investigate the use of chitosan-clay nanocomposite (CC) as an adsorbent for Rhodamine 6G (Rh-6G). The effects of adsorbent dose, contact time, and concentration on the adsorption process were systematically studied. Isotherm models were applied to the experimental equilibrium data obtained from spectrophotometric measurements of dye adsorption. Various Kinetic models were used to describe the kinetic data and evaluate of rate constants. Rh-6G loaded adsorbents were investigated for their optical and photophysical properties. PMID:25526692

  14. Central Shops Burning/Rubble Pit 631-6G Additonal Sampling and Monitor Well Installation Report

    SciTech Connect

    Palmer, E.

    1995-02-01

    The Central Shops Burning/Rubble Pit 631-6G was constructed in 1951 as an unlined earthen pit in surficial sediments for disposal and incineration of potentially hazardous substances, such as metals and organic solvents.

  15. Rh6G released from solid and nanoporous SiO2 spheres prepared by sol-gel route

    NASA Astrophysics Data System (ADS)

    García-Macedo, J. A.; Francisco S., P.; Franco, A.

    2015-10-01

    Porous silica nanoparticles are considering good systems for drug cargo and liquid separation. In this work we studied the release of rhodamine 6G (Rh6G) from solid and porous silica nanoparticles. Solid and porous SiO2 spheres were prepared by sol-gel method. Nanoporous channels were produced by using a surfactant that was removed by chemical procedure. Rh6G was incorporated into the channels by impregnation. The hexagonal structure of the pores was detected by XRD and confirmed by HRTEM micrographs. Rh6G released from the particles by stirring them in water at controlled speed was studied as function of time by photoluminescence. Released ratio was faster in the solid nanoparticles than in the porous ones. In the last case, a second release mechanism was observed. It was related with rhodamine coming out from the porous.

  16. Using natural variation to investigate the function of individual amino acids in the sucrose-binding box of fructan:fructan 6G-fructosyltransferase (6G-FFT) in product formation.

    PubMed

    Ritsema, Tita; Verhaar, Auke; Vijn, Irma; Smeekens, Sjef

    2005-07-01

    Enzymes of the glycosyl hydrolase family 32 are highly similar with respect to primary sequence but catalyze divergent reactions. Previously, the importance of the conserved sucrose-binding box in determining product specificity of onion fructan:fructan 6G-fructosyltransferase (6G-FFT) was established [Ritsema et al., 2004, Plant Mol. Biol. 54: 853-863]. Onion 6G-FFT synthesizes the complex fructan neo-series inulin by transferring fructose residues to either a terminal fructose or a terminal glucose residue. In the present study we have elucidated the molecular determinants of product specificity by substitution of individual amino acids of the sucrose binding box with amino acids that are present on homologous positions in other fructosyltransferases or vacuolar invertases. Substituting the presumed nucleophile Asp85 of the beta-fructosidase motif resulted in an inactive enzyme. 6G-FFT mutants S87N and S87D did not change substrate or product specificities, whereas mutants N84Y and N84G resulted in an inactive enzyme. Most interestingly, mutants N84S, N84A, and N84Q added fructose residues preferably to a terminal fructose and hardly to the terminal glucose. This resulted in the preferential production of inulin-type fructans. Combining mutations showed that amino acid 84 determines product specificity of 6G-FFT irrespective of the amino acid at position 87. PMID:16158237

  17. Improved galvanic replacement growth of Ag microstructures on Cu micro-grid for enhanced SERS detection of organic molecules.

    PubMed

    Guo, Tian-Long; Li, Ji-Guang; Sun, Xudong; Sakka, Yoshio

    2016-04-01

    Galvanic growth of Ag nano/micro-structures on Cu micro-grid was systematically studied for surface-enhanced Raman scattering (SERS) applications. Detailed characterizations via FE-SEM and HR-TEM showed that processing parameters, (reaction time, Ag(+) concentration, and PVP addition) all substantially affect thermodynamics/kinetics of the replacement reaction to yield substrates of significantly different microstructures/homogeneities and thus varied SERS performances (sensitivity, enhancement factor, and reproducibility) of the Ag substrates in the detection of R6G analyte. PVP as an additive was shown to notably alter nucleation/growth behaviors of the Ag crystals and promote the deposition of dense and uniform Ag films of nearly monodisperse polyhedrons/nanoplates through suppressing dendrites crystallization. Under optimized synthesis (50mM of Ag(+), 30s of reaction, and 700 wt.% of PVP), Ag substrates exhibiting a high Raman signal enhancement factor of ~1.1 × 10(6) and a low relative standard deviation of ~0.13 in the repeated detection of 10 μM R6G were obtained. The facile deposition and excellent performance reported in this work may allow the Ag microstructures to find wider SERS applications. Moreover, growth mechanisms of the different Ag nano/micro-structures were discussed based on extensive FE-SEM and HR-TEM analysis.

  18. Improved galvanic replacement growth of Ag microstructures on Cu micro-grid for enhanced SERS detection of organic molecules.

    PubMed

    Guo, Tian-Long; Li, Ji-Guang; Sun, Xudong; Sakka, Yoshio

    2016-04-01

    Galvanic growth of Ag nano/micro-structures on Cu micro-grid was systematically studied for surface-enhanced Raman scattering (SERS) applications. Detailed characterizations via FE-SEM and HR-TEM showed that processing parameters, (reaction time, Ag(+) concentration, and PVP addition) all substantially affect thermodynamics/kinetics of the replacement reaction to yield substrates of significantly different microstructures/homogeneities and thus varied SERS performances (sensitivity, enhancement factor, and reproducibility) of the Ag substrates in the detection of R6G analyte. PVP as an additive was shown to notably alter nucleation/growth behaviors of the Ag crystals and promote the deposition of dense and uniform Ag films of nearly monodisperse polyhedrons/nanoplates through suppressing dendrites crystallization. Under optimized synthesis (50mM of Ag(+), 30s of reaction, and 700 wt.% of PVP), Ag substrates exhibiting a high Raman signal enhancement factor of ~1.1 × 10(6) and a low relative standard deviation of ~0.13 in the repeated detection of 10 μM R6G were obtained. The facile deposition and excellent performance reported in this work may allow the Ag microstructures to find wider SERS applications. Moreover, growth mechanisms of the different Ag nano/micro-structures were discussed based on extensive FE-SEM and HR-TEM analysis. PMID:26838829

  19. Characterization of the fluorescence correlation spectroscopy (FCS) standard Rhodamine 6G and calibration of its diffusion coefficient in aqueous solutions

    SciTech Connect

    Majer, G.; Melchior, J. P.

    2014-03-07

    Precise diffusion measurements of rhodamine 6G (Rh6G) dissolved in D{sub 2}O at concentrations between 50 and 200 μM were carried out in the temperature range from 280 to 320 K using pulsed field gradient nuclear magnetic resonance (PFG-NMR). The obtained diffusion coefficients can be used as a calibration reference in fluorescence correlation spectroscopy (FCS). Besides measuring the diffusivity of Rh6G, the diffusion coefficient of the solvent in the same system could be determined in parallel by PFG-NMR as the resonances of water and Rh6G are well separated in the {sup 1}H NMR spectrum. To analyze the differences due to the isotope effect of the solvent (D{sub 2}O vs. H{sub 2}O), the correlation time τ{sub D} of Rh6G was measured by FCS in both D{sub 2}O and H{sub 2}O. The obtained isotopic correction factor, τ{sub D}(D{sub 2}O)/τ{sub D}(H{sub 2}O) = 1.24, reflects the isotope effect of the solvent´s self-diffusion coefficients as determined previously by PFG-NMR.

  20. Copy Number Variation and Transposable Elements Feature in Recent, Ongoing Adaptation at the Cyp6g1 Locus

    PubMed Central

    Schmidt, Joshua M.; Good, Robert T.; Appleton, Belinda; Sherrard, Jayne; Raymant, Greta C.; Bogwitz, Michael R.; Martin, Jon; Daborn, Phillip J.; Goddard, Mike E.; Batterham, Philip; Robin, Charles

    2010-01-01

    The increased transcription of the Cyp6g1 gene of Drosophila melanogaster, and consequent resistance to insecticides such as DDT, is a widely cited example of adaptation mediated by cis-regulatory change. A fragment of an Accord transposable element inserted upstream of the Cyp6g1 gene is causally associated with resistance and has spread to high frequencies in populations around the world since the 1940s. Here we report the existence of a natural allelic series at this locus of D. melanogaster, involving copy number variation of Cyp6g1, and two additional transposable element insertions (a P and an HMS-Beagle). We provide evidence that this genetic variation underpins phenotypic variation, as the more derived the allele, the greater the level of DDT resistance. Tracking the spatial and temporal patterns of allele frequency changes indicates that the multiple steps of the allelic series are adaptive. Further, a DDT association study shows that the most resistant allele, Cyp6g1-[BP], is greatly enriched in the top 5% of the phenotypic distribution and accounts for ∼16% of the underlying phenotypic variation in resistance to DDT. In contrast, copy number variation for another candidate resistance gene, Cyp12d1, is not associated with resistance. Thus the Cyp6g1 locus is a major contributor to DDT resistance in field populations, and evolution at this locus features multiple adaptive steps occurring in rapid succession. PMID:20585622

  1. Fluorescence depolarization of rhodamine 6G in glycerol: a photon-counting test of three-dimensional excitation transport theory

    SciTech Connect

    Anfinrud, P.A.; Hart, D.E.; Hedstrom, J.F.; Struve, W.S.

    1986-05-22

    Time-correlated photon counting has been used to measure fluorescence concentration depolarization for rhodamine 6G in glycerol. The excitation transport theory developed by Gochanour, Andersen, and Fayer yields good approximations to the experimental decay profiles over the concentration range 1.7 x 10/sup -4/ to 2.4 x 10/sup -3/ M. Although the differences between optimized theoretical and experimental profiles are fractionally small, they are readily characterized under present counting statistics. They prove to be dominated by experimental artifacts, arising from excitation trapping by rhodamine 6G aggregates and from self-absorption in solution cells thicker than approx. 10 ..mu..m.

  2. ZnO nanowire/reduced graphene oxide nanocomposites for significantly enhanced photocatalytic degradation of Rhodamine 6G

    NASA Astrophysics Data System (ADS)

    Zhang, Chao; Zhang, Jing; Su, Yanjie; Xu, Minghan; Yang, Zhi; Zhang, Yafei

    2014-02-01

    We have demonstrated a facile and low-cost approach to synthesize ZnO nanowire (NW)/reduced graphene oxide (RGO) nanocomposites, in which ZnO NWs and graphene oxide (GO) were produced in large scale separately and then hybridized into ZnO NW/RGO nanocomposites by mechanical mixing and low-temperature thermal reduction. Rhodamine 6G (Rh6G) was used as a model dye to evaluate the photocatalytic properties of ZnO NW/RGO nanocomposites. The obtained nanocomposites show significantly enhanced photocatalytic performance, which took only 10 min to decompose over 98% Rh6G. Finally the mechanism of the great enhancement about photocatalytic activity of ZnO NW/RGO nanocomposites is studied. It is mainly attributed to that RGO nanosheets can transfer the electrons of ZnO NWs excited by ultraviolet (UV) irradiation, increase electron migration efficiency, and then longer the lifetime of the holes in ZnO NWs. The high charge separation efficiency of photo-generated electron-hole pairs directly leads to the lower recombination rate of ZnO NW/RGO nanocomposites, makes more effective electrons and holes to participate the radical reactions with Rh6G, thus significantly improving the photocatalytic properties. The high degradation efficiency makes the ZnO NW/RGO nanocomposites promising candidates in the application of environmental pollutant and wastewater treatment.

  3. Seventeen psec pulses from a nitrogen laser-pumped short-cavity rhodamine 6G dye laser

    SciTech Connect

    Liesegang, G.W.

    1983-08-15

    We wish to report the generation of 17-psec pulses of 200-kW intensity from a nitrogen-pumped rhodamine 6G short-cavity dye laser. This dye laser has a cavity length of 120 ..mu..m and is axially pumped by the nitrogen laser. (AIP)

  4. Interleukin-6 g.-174G>C promoter polymorphism is associated with obesity in the EPIC-Potsdam Study.

    PubMed

    Klipstein-Grobusch, Kerstin; Möhlig, Matthias; Spranger, Joachim; Hoffmann, Kurt; Rodrigues, Fabio U S; Sharma, Arya M; Klaus, Susanne; Pfeiffer, Andreas F H; Boeing, Heiner

    2006-01-01

    Homozygosity for the interleukin-6 (IL-6) g.-174G>C promoter polymorphism has recently been associated with indices of overweight. Homozygous subjects were observed to have reduced energy expenditure, suggesting that lower IL-6 gene transcription, caused by the IL-6 g.-174G>C promoter polymorphism, may be associated with obesity. The aim of this study was to investigate the association of this polymorphism with long-term weight gain. For 334 normal weight (20 < BMI < or = 25 kg/m2) and 334 obese (BMI > 30 kg/m2) subjects matched by age and sex originating from the population-based EPIC-Potsdam Study, recalled weight change from age 25 to study enrollment was determined, the IL-6 g.-174G>C promoter polymorphism was defined, and plasma concentrations of IL-6 and C-reactive protein were measured. The IL-6 g.-174G>C promoter polymorphism was significantly associated with obesity (chi2 = 7,34, p = 0.026). Odds ratios for subjects with GC and CC genotypes for obesity were 1.19 (95% CI: 0.84 to 1.68; p = 0.323) and 1.91 (95% CI: 1.19 to 3.08; p = 0.007), respectively. Recalled weight change from age 25 years to study enrollment differed significantly according to genotype (p = 0.044) and was most pronounced in subjects with the CC genotype, suggesting that the IL-6 g.-174G>C promoter polymorphism is a susceptibility or modifying locus for common obesity and weight gain.

  5. Degradation of a textile dye, Rhodamine 6G (Rh6G), by heterogeneous sonophotoFenton process in the presence of Fe-containing TiO2 catalysts.

    PubMed

    Demir, Nazlı; Gündüz, Gönül; Dükkancı, Meral

    2015-03-01

    In this study, degradation of Rhodamine 6G (Rh6G) was investigated with ultrasound-assisted heterogeneous photoFenton process by iron-containing TiO2 catalysts. The catalysts were prepared by incipient wetness impregnation method and characterized by XRD, SEM, FT-IR, nitrogen adsorption, and ICP-AES measurements. Almost complete color removal (99.9 %) was achieved after a reaction time of 90 min while chemical oxygen demand (COD) could be removed by 24 % only with the 1 wt% iron-containing TiO2 catalyst. Initial color removal after 15 min of reaction and total COD abatement after 90 min of reaction decreased with increasing calcination temperature of the catalyst from 573 to 973 K. This indicated that the catalytic activity of the catalyst depend on the percentage of anatase phase in the TiO2, which was decreased with increasing calcination temperature.

  6. Degradation of a textile dye, Rhodamine 6G (Rh6G), by heterogeneous sonophotoFenton process in the presence of Fe-containing TiO2 catalysts.

    PubMed

    Demir, Nazlı; Gündüz, Gönül; Dükkancı, Meral

    2015-03-01

    In this study, degradation of Rhodamine 6G (Rh6G) was investigated with ultrasound-assisted heterogeneous photoFenton process by iron-containing TiO2 catalysts. The catalysts were prepared by incipient wetness impregnation method and characterized by XRD, SEM, FT-IR, nitrogen adsorption, and ICP-AES measurements. Almost complete color removal (99.9 %) was achieved after a reaction time of 90 min while chemical oxygen demand (COD) could be removed by 24 % only with the 1 wt% iron-containing TiO2 catalyst. Initial color removal after 15 min of reaction and total COD abatement after 90 min of reaction decreased with increasing calcination temperature of the catalyst from 573 to 973 K. This indicated that the catalytic activity of the catalyst depend on the percentage of anatase phase in the TiO2, which was decreased with increasing calcination temperature. PMID:24756679

  7. IMB-6G, a novel N-substituted sophoridinic acid derivative, induces endoplasmic reticulum stress-mediated apoptosis via activation of IRE1α and PERK signaling

    PubMed Central

    Zhang, Na; Bi, Chongwen; Liu, Lu; Dou, Yueying; Tang, Sheng; Pang, Weiqiang; Deng, Hongbin; Song, Danqing

    2016-01-01

    Sophoridinic acid derivatives have received considerable attentions for their potencies in cancer therapy. IMB-6G is a novel N-substituted sophoridinic acid derivative with potent cytotoxicity against tumor cells. In the present study, we explored the antitumor abilities of IMB-6G in human hepatocellular carcinoma (HCC) cells and investigated the underlying mechanisms. We found that IMB-6G inhibited cell growth and induced mitochondrial-dependent apoptosis in HepG2 and SMMC7721 cells. Analyses of the molecular mechanism of IMB-6G-induced apoptosis indicated IMB-6G induced endoplasmic reticulum (ER) stress activation. Incubation of HCC cells with IMB-6G induced increase in Bip and CHOP levels, which precede induction of apoptosis. Further study showed IMB-6G activated IRE1α and PERK pathways but did not stimulated ATF6 pathway in HCC cells. Moreover, silencing of IRE1α dramatically abrogated IMB-6G-induced pro-apoptotic ASK1-JNK signaling. Importantly, interruption of CHOP rendered HCC cells sensitive to IMB-6G-induced apoptosis via inactivation of Bim, PUMA and Bax. Thus, the IRE1α-ASK1 and PERK-CHOP pathways may be a novel molecular mechanism of IMB-6G-induced apoptosis. Collectively, our study demonstrates that IMB-6G induces ER stress-mediated apoptosis by activating IRE1α and PERK pathways. Our findings provide a rationale for the potential application of IMB-6G in HCC therapy. PMID:27009865

  8. Facile synthesis of gold nanopuncheons with high-index facets and their SERS effects on Rhodamine 6G

    SciTech Connect

    Li, Jing Chang, Minmin; Zhou, Xinmu; Li, Dongping; Li, Yongxiu

    2014-11-15

    Highlights: • Au nanopuncheons with high-index facets have been prepared by seed-mediated growth. • The nanopuncheons are enclosed by 24 planes of (2 5 0), (3 0 1) and 2 (0 1 0) planes. • The nanopuncheons showed high SERS activity toward Rhodamine 6G. - Abstract: Au nanopuncheons with exposed high-index facets have been synthesized in high-yield by employing didodecyldimethylammonium bromide (DDAB) as surfactant in one-step seed-mediated growth. Transmission electron microscopy (TEM) characterization showed that the as-prepared Au nanopuncheons possessed 24 high index facets of (2 5 0), (3 0 1), and 2 (0 1 0) planes. Due to the high density of atomic steps and kinks in the structure, the Au nanopuncheons exhibited high surface enhanced Raman scattering (SERS) activity toward Rhodamine 6G.

  9. Postglacial Rebound Model ICE-6G_C (VM5a) Constrained by Geodetic and Geologic Observations

    NASA Astrophysics Data System (ADS)

    Peltier, W. R.; Argus, D. F.; Drummond, R.

    2014-12-01

    We fit the revised global model of glacial isostatic adjustment ICE-6G_C (VM5a) to all available data, consisting of several hundred GPS uplift rates, a similar number of 14C dated relative sea level histories, and 62 geologic estimates of changes in Antarctic ice thickness. The mantle viscosity profile, VM5a is a simple multi-layer fit to prior model VM2 of Peltier (1996, Science). However, the revised deglaciation history, ICE-6G (VM5a), differs significantly from previous models in the Toronto series. (1) In North America, GPS observations of vertical uplift of Earth's surface from the Canadian Base Network require the thickness of the Laurentide ice sheet at Last Glacial Maximum to be significantly revised. At Last Glacial Maximum the new model ICE-6G_C in this region, relative to ICE-5G, roughly 50 percent thicker east of Hudson Bay (in and northern Quebec and Labrador region) and roughly 30 percent thinner west of Hudson Bay (in Manitoba, Saskatchewan, and the Northwest Territories).the net change in mass, however, is small. We find that rates of gravity change determined by GRACE when corrected for the predictions of ICE-6G_C (VM5a) are significantly smaller than residuals determined on the basis of earlier models. (2) In Antarctica, we fit GPS uplift rates, geologic estimates of changes in ice thickness, and geologic constraints on the timing of ice loss. The resulting deglaciation history also differs significantly from prior models. The contribution of Antarctic ice loss to global sea level rise since Last Glacial Maximum in ICE-6G_C is 13.6 meters, less than in ICE-5G (17.5 m), but significantly larger than in both the W12A model of Whitehouse et al. [2012] (8 m) and the IJ05 R02 model of Ivins et al. [2013] (7.5 m). In ICE-6G_C rapid ice loss occurs in Antarctica from 11.5 to 8 thousands years ago, with a rapid onset at 11.5 ka thereby contributing significantly to Meltwater Pulse 1B. In ICE-6G_C (VM5a), viscous uplift of Antarctica is increasing

  10. Influence of thiourea on the emission characteristics of a laser based on an aqueous solution of rhodamine 6G

    SciTech Connect

    Viktorova, A.A.; Savikin, A.P.; Tsaregradskii, V.B.

    1983-08-01

    An investigation was made of the spectral (luminescence and lasing) characteristics of an aqueous solution of rhodamine 6G with an addition of thiourea. When the thiourea concentration in the solvent was > or =30%, the absorption and fluorescence spectra changed greatly, the lasing threshold decreased approximately fourfold, and the output power increased by an order of magnitude. The good thermooptical properties of water as a solvent, in combination with the disaggregation properties of thiourea, made it possible to realize (without circulation of the solution) a pulse-periodic lasing regime at a repetition frequency of < or approx. =50 Hz and with output radiation parameters typical of a laser with continuous circulation of an ethanol solution of rhodamine 6G.

  11. Spectral and temporal features of the pumping of rhodamine 6G by radiation from a copper vapor laser

    SciTech Connect

    Soldatov, A.N.; Sukhanov, V.B.

    1983-01-01

    An experimental investigation was made of the influence of the relative delay time tau and of the intensity ratio R/sub 21/ of the spectral components emitted by a copper vapor laser on the energy and spectral characteristics of lasing in rhodamine 6G. For certain values of tau and P/sub 21/, lasing in the dye was disrupted. A clamping effect was discovered between the rhodamine 6G laser emission spectrum and the yellow line of the copper vapor laser. The results obtained were used to determine the parameters of an interference filter for suppressing the yellow line from the copper vapor laser, and this made it possible to raise the efficiency of conversion of the pump radiation into lasing in the dye.

  12. Rotational reorientation dynamics at high pressures: rhodamine 6G in ethanol from 1 bar to 6 kbar

    SciTech Connect

    Philips, L.A.; Webb, S.P.; Yeh, S.W.; Clark, J.H.

    1985-01-03

    Picosecond, time-resolved fluorescence depolarization spectroscopy has been used to measure the rotational reorientation time (tau/sub or/) of electronically excited rhodamine 6G. When the dependence of tau/sub or/ on solvent viscosity for a series of linear alcohols is compared with that for ethanol as a function of pressure over the range from 1 bar to 6 kbar, substantially different rotational reorientation dynamics are found for identical macroscopic viscosities. 31 references, 2 figures, 2 tables.

  13. Resonant surface enhancement of Raman scattering of Ag nanoparticles on silicon substrates fabricated by dc sputtering

    SciTech Connect

    Fang Yingcui; Li Xiaxi; Blinn, Kevin; Mahmoud, Mahmoud A.; Liu Meilin

    2012-09-15

    Ag nanoparticles (AgNPs) were deposited onto silicon substrates by direct current (dc) magnetron sputtering. The influences of sputtering power and sputtering time on the AgNP film morphology were studied using atomic force microscopy. The particle size was successfully tuned from 19 nm to 53 nm by varying the sputtering time at a dc power of 10 W. When Rhodamine 6 G (R6G) was used as the probe molecule, the AgNP films showed significant surface enhanced Raman scattering effect. In particular, it is found that larger particles show stronger enhancement for lower concentrations of R6G while smaller particles display stronger enhancement for higher concentrations of R6G.

  14. Catalytic solid substrate-room temperature phosphorimetry for the determination of residual perphenazine based on the electronic effect of rhodamine 6G.

    PubMed

    Zheng, Zhi-Yong; Cui, Ma-Lin; Zhang, Li-Hong; Jiang, Shu-Lian; Jiao, Li; Lin, Xuan; Lin, Shao-Qin; Liu, Jia-Ming

    2013-01-01

    The rhodamine 6G(+) -perphenazine (Rhod 6G(+) -PPH) compound is formed in the ester-exchange reaction between -OH of PPH and -COOC2 H5 of Rhod 6G(+) . PPH was oxidized to a red compound (PPH') in the presence of K2 S2 O8 . Interestingly, the room temperature phosphorescence (RTP) of Rhod 6G(+) was quenched because the -OH of PPH' reacted with -COOC2 H5 of Rhod 6G(+) -PPH to form Rhod 6G(+) -PPH' and PPH, which decreased the π-electron density (δ) of the carbon atom in the Rhod 6G(+) -PPH' conjugated system and enhanced the nonradiation energy loss of the excited Rhod 6G(+) of the triplet state. The PPH content was directly proportional to the ΔIp of the system. Thus, a new catalytic solid-substrate room temperature phosphorimetry (SSRTP) method was established for the determination of PPH. The method had high sensitivity (the limit of detection was 0.019 fg/spot, corresponding to a concentration of 4.8 × 10(-14)  g/mL; the sampling quantity was 0.40 μL/spot), good selectivity, convenience and speed. The analytical results were in accordance with those of high-performance liquid chromatography (HPLC). The structures of Rhod 6G(+) , PPH and Rhod 6G(+) -PPH were characterized by infrared spectra. The reaction mechanism by which PPH was determined is discussed.

  15. Novel PAMAM Dendron as a Bichromophoric Probe Based on Rhodamine 6G and 1,8-Naphthalimide.

    PubMed

    Dimitrova, Margarita D; Georgiev, Nikolai I; Bojinov, Vladimir B

    2016-05-01

    A novel PAMAM dendron designed as a wavelength-shifting bichromophore with 1,8-naphthalimide energy "donor" capable of absorbing light and efficiently transferring the energy to a focal Rhodamine 6G "acceptor" was synthesized and investigated. Moreover, the system was configured on the "fluorophore-spacer-receptor" format. Thus, the distinguishing features of FRET systems were successfully combined with the properties of photoinduced electron transfer and classical ring-opening sensor systems. The synthesized compound shows excellent signaling properties towards protons, Hg(2+) and Fe(3+) ions, therefore, the system is able to act as an one-output combinatorial logic circuit with four chemical inputs. PMID:27048224

  16. Reciprocal passive mode locking of a rhodamine 6G dye laser and the Ar/sup +/ pump laser

    SciTech Connect

    Yasa, Z.A.; Amer, N.M.

    1981-02-01

    A rhodamine 6G dye laser, internally pumped within the extended cavity of an Ar/sup +/-ion laser, is mode locked when its cavity length is matched to half that of the pump laser: the 5145-A argon laser line is passively mode locked by the combination of the saturable absorption and the lasing action of the dye, which is in turn synchronously pumped and mode locked. Tunable (5650-5950-A)approx.10 psec pulses are generated, and the average output power is approx.80 mW.

  17. Reciprocal passive mode locking of a rhodamine 6G dye laser and the Ar+ pump laser

    SciTech Connect

    Yasa, Zafer A.; Amer, Nabil M.

    1981-02-01

    We report that a rhodamine 6G dye laser, internally pumped within the extended cavity of an Ar+-ion laser, is mode locked when its cavity length is matched to half that of the pump laser: the 5145-Å argon laser line is passively mode locked by the combination of the saturable absorption and the lasing action of the dye, which is in turn synchronously pumped and mode locked. Tunable (5650–5950-Å) ~10 psec pulses are generated, and the average output power is ~80 mW.

  18. Rhodamine 6G hydrazone bearing thiophene unit: A highly sensitive and selective off-on fluorescent chemosensor for Al3+

    NASA Astrophysics Data System (ADS)

    Wu, Wei-Na; Mao, Pan-Dong; Wang, Yuan; Zhao, Xiao-Lei; Jia, Lei; Xu, Zhou-Qing

    2016-10-01

    A rhodamine derivative (R1) has been synthesized by a hydrazone formation of rhodamine 6G hydrazide with 3-methylthiophene-2-carbaldehyde, which exhibits high selectivity and sensitivity as an "off-on" fluorescent sensor toward Al3+ in water containing media. The binding process was confirmed by UV-vis absorption, fluorescence measurements, mass spectroscopy and DFT calculation. The probe functions by Al3+ induced hydrolytic cleavage of the imine-bond to produce an intense rhodamine-based emission. To test the practical use of the probe, the determination of Al3+ in real water samples was also evaluated.

  19. Par6G suppresses cell proliferation and is targeted by loss-of-function mutations in multiple cancers

    PubMed Central

    Marques, E; Englund, J I; Tervonen, T A; Virkunen, E; Laakso, M; Myllynen, M; Mäkelä, A; Ahvenainen, M; Lepikhova, T; Monni, O; Hautaniemi, S; Klefström, J

    2016-01-01

    Differentiated epithelial structure communicates with individual constituent epithelial cells to suppress their proliferation activity. However, the pathways linking epithelial structure to cessation of the cell proliferation machinery or to unscheduled proliferation in the context of tumorigenesis are not well defined. Here we demonstrate the strong impact of compromised epithelial integrity on normal and oncogenic Myc-driven proliferation in three-dimensional mammary epithelial organoid culture. Systematic silencing of 34 human homologs of Drosophila genes, with previously established functions in control of epithelial integrity, demonstrates a role for human genes of apico-basal polarity, Wnt and Hippo pathways and actin dynamics in regulation of the size, integrity and cell proliferation in organoids. Perturbation of these pathways leads to diverse functional interactions with Myc: manifested as a RhoA-dependent synthetic lethality and Par6-dependent effects on the cell cycle. Furthermore, we show a role for Par6G as a negative regulator of the phosphatidylinositol 3′-kinase/phosphoinositide-dependent protein kinase 1/Akt pathway and epithelial cell proliferation and evidence for frequent inactivation of Par6G gene in epithelial cancers. The findings demonstrate that determinants of epithelial structure regulate the cell proliferation activity via conserved and cancer-relevant regulatory circuitries, which are important for epithelial cell cycle restriction and may provide new targets for therapeutic intervention. PMID:26073086

  20. Prospects for single-molecule detection in liquids by laser-induced fluorescence

    SciTech Connect

    Trkula, M.; Keller, R.A.; Martin, J.C.; Jett, J.H.; Dovichi, N.J.

    1983-01-01

    A laser-induced fluoresence determination of aqueous solutions of rhodamine 6G resulted in a detection limit of 18 attograms, or 22,000 molecules, of rhodamine 6G. These results allow the projection to single-molecule detection with reasonable improvements in the experimental apparatus.

  1. Study of the spectral and angular characteristics of laser action by rhodamine 6G solutions in a short cavity

    SciTech Connect

    Smirnov, V.S.; Studenov, V.I.; Rozuvanova, V.A.

    1984-05-01

    An experimental and theoretical study has been made of the spectral and angular characteristics of a laser with an ethanol solution of rhodamine 6G, pumped with the second-harmonic radiation of an LTIPCh-6 laser, as a function of the spacing of a Fabry-Perot interferometer used as a cavity laser. It is shown experimentally that when the cavity is short, the radiation of the laser studied has a distinct spectral and angular structure which is determined by the length of the cavity and is independent of the reflectancies of the cavity mirrors, activator concentration, or power of the exciting radiation. Good agreement is shown to exist between the experimental and theoretical results. It is concluded that the character of formation of the spectral and angular radiation characteristics of a dye laser is determined almost entirely by the properties of the Fabry-Perot interferometer used as the cavity.

  2. Random lasing and coherent back scattering study in rhodamine 6G doped polymer optical fiber (POF) particles

    NASA Astrophysics Data System (ADS)

    C, Sreechandralijith K.; Peter, Jaison; Thankappan, Aparna; Nampoori, V. P. N.; Radhakrishnan, P.

    2014-10-01

    We demonstrate coherent back scattering and random lasing from an active random media of Rhodamine 6G doped polymer optical fiber particles on different sizes. Narrow emission modes are observed experimentally over a broad range of scattering strengths without requiring optical cavities. The particle-size dependence of transport mean free path, which measured from coherent backscattering measurements. Since the scattering mean free path is less than the emission wavelength, recurrent light scattering arises and provides coherent feedback for lasing. Laser emission from the sample observed in all directions. This observation also provides direct evidence for the existence of recurrent scattering of light. The lasing threshold intensity depends on the excitation volume, also the decrease of the lasing threshold at large particle size. The feedback for lasing originates mainly from backscattering of particles near the boundaries of the pumped region. Here, the lasing threshold depends strongly on the size distribution, dye concentration and intensity of excitation in the ensemble.

  3. Giant unilamellar vesicles containing Rhodamine 6G as a marker for immunoassay of bovine serum albumin and lipocalin-2.

    PubMed

    Sakamoto, Misato; Shoji, Atsushi; Sugawara, Masao

    2016-07-15

    Functionalized giant unilamellar vesicles (GUVs) containing a fluorescence dye Rhodamine 6G is proposed as a marker in sandwich-type immunoassay for bovine serum albumin (BSA) and lipocalin-2 (LCN2). The GUVs were prepared by the electroformation method and functionalized with anti-BSA antibody and anti-LCN2 antibody, respectively. The purification of antibody-modified GUVs was achieved by conventional centrifugation and a washing step in a flow system. To antigen on an antibody slip, antibody-modified GUVs were added as a marker and incubated. After wash-out of excess reagents and lysis of the bound GUVs with Triton X-100, the fluorescence image was captured. The fluorometric immunoassays for BSA and LCN2 exhibited lower detection limits of 4 and 80 fg ml(-)(1), respectively. PMID:27117116

  4. Space geodesy constrains ice age terminal deglaciation: The global ICE-6G_C (VM5a) model

    NASA Astrophysics Data System (ADS)

    Peltier, W. R.; Argus, D. F.; Drummond, R.

    2015-01-01

    A new model of the last deglaciation event of the Late Quaternary ice age is here described and denoted as ICE-6G_C (VM5a). It differs from previously published models in this sequence in that it has been explicitly refined by applying all of the available Global Positioning System (GPS) measurements of vertical motion of the crust that may be brought to bear to constrain the thickness of local ice cover as well as the timing of its removal. Additional space geodetic constraints have also been applied to specify the reference frame within which the GPS data are described. The focus of the paper is upon the three main regions of Last Glacial Maximum ice cover, namely, North America, Northwestern Europe/Eurasia, and Antarctica, although Greenland and the British Isles will also be included, if peripherally, in the discussion. In each of the three major regions, the model predictions of the time rate of change of the gravitational field are also compared to that being measured by the Gravity Recovery and Climate Experiment satellites as an independent means of verifying the improvement of the model achieved by applying the GPS constraints. Several aspects of the global characteristics of this new model are also discussed, including the nature of relative sea level history predictions at far-field locations, in particular the Caribbean island of Barbados, from which especially high-quality records of postglacial sea level change are available but which records were not employed in the development of the model. Although ICE-6G_C (VM5a) is a significant improvement insofar as the most recently available GPS observations are concerned, comparison of model predictions with such far-field relative sea level histories enables us to identify a series of additional improvements that should follow from a further stage of model iteration.

  5. Single-molecule electrophoresis

    SciTech Connect

    Castro, A.; Shera, E.B.

    1995-09-15

    A novel method for the detection and identification of single molecules in solution has been devised, computer simulated, and experimentally achieved. The technique involves the determination of electrophoretic velocities by measuring the time required for individual molecules to travel a fixed distance between two laser beams. Computer simulations of the process were performed before-hand in order to estimate the experimental feasibility of the method and to determine the optimum values for the various experimental parameters. Examples of the use of the technique for the ultrasensitive detection and identification of rhodamine-6G, a mixture of DNA restriction fragments, and a mixture of proteins in aqueous solution are presented. 20 refs., 8 figs.

  6. Metabolism of methoxychlor by the P450-monooxygenase CYP6G1 involved in insecticide resistance of Drosophila melanogaster after expression in cell cultures of Nicotiana tabacum.

    PubMed

    Joussen, Nicole; Schuphan, Ingolf; Schmidt, Burkhard

    2010-03-01

    Cytochrome P450 monooxygenase CYP6G1 of Drosophila melanogaster was heterologously expressed in a cell suspension culture of Nicotiana tabacum. This in vitro system was used to study the capability of CYP6G1 to metabolize the insecticide methoxychlor (=1,1,1-trichloro-2,2-bis(4-methoxyphenyl)ethane, 1) against the background of endogenous enzymes of the corresponding non-transgenic culture. The Cyp6g1-transgenic cell culture metabolized 96% of applied methoxychlor (45.8 microg per assay) within 24 h by demethylation and hydroxylation mainly to trishydroxy and catechol methoxychlor (16 and 17%, resp.). About 34% of the metabolism and the distinct formation of trishydroxy and catechol methoxychlor were due to foreign enzyme CYP6G1. Furthermore, methoxychlor metabolism was inhibited by 43% after simultaneous addition of piperonyl butoxide (458 microg), whereas inhibition in the non-transgenic culture amounted to 92%. Additionally, the rate of glycosylation was reduced in both cultures. These results were supported by the inhibition of the metabolism of the insecticide imidacloprid (6; 20 microg, 24 h) in the Cyp6g1-transgenic culture by 82% in the presence of piperonyl butoxide (200 microg). Due to CYP6G1 being responsible for imidacloprid resistance of Drosophila or being involved in DDT resistance, it is likely that CYP6G1 conveys resistance to methoxychlor (1). Furthermore, treating Drosophila with piperonyl butoxide could weaken the observed resistance phenomena.

  7. Evolutionary changes in gene expression, coding sequence and copy-number at the Cyp6g1 locus contribute to resistance to multiple insecticides in Drosophila.

    PubMed

    Harrop, Thomas W R; Sztal, Tamar; Lumb, Christopher; Good, Robert T; Daborn, Phillip J; Batterham, Philip; Chung, Henry

    2014-01-01

    Widespread use of insecticides has led to insecticide resistance in many populations of insects. In some populations, resistance has evolved to multiple pesticides. In Drosophila melanogaster, resistance to multiple classes of insecticide is due to the overexpression of a single cytochrome P450 gene, Cyp6g1. Overexpression of Cyp6g1 appears to have evolved in parallel in Drosophila simulans, a sibling species of D. melanogaster, where it is also associated with insecticide resistance. However, it is not known whether the ability of the CYP6G1 enzyme to provide resistance to multiple insecticides evolved recently in D. melanogaster or if this function is present in all Drosophila species. Here we show that duplication of the Cyp6g1 gene occurred at least four times during the evolution of different Drosophila species, and the ability of CYP6G1 to confer resistance to multiple insecticides exists in D. melanogaster and D. simulans but not in Drosophila willistoni or Drosophila virilis. In D. virilis, which has multiple copies of Cyp6g1, one copy confers resistance to DDT and another to nitenpyram, suggesting that the divergence of protein sequence between copies subsequent to the duplication affected the activity of the enzyme. All orthologs tested conferred resistance to one or more insecticides, suggesting that CYP6G1 had the capacity to provide resistance to anthropogenic chemicals before they existed. Finally, we show that expression of Cyp6g1 in the Malpighian tubules, which contributes to DDT resistance in D. melanogaster, is specific to the D. melanogaster-D. simulans lineage. Our results suggest that a combination of gene duplication, regulatory changes and protein coding changes has taken place at the Cyp6g1 locus during evolution and this locus may play a role in providing resistance to different environmental toxins in different Drosophila species.

  8. Evolutionary Changes in Gene Expression, Coding Sequence and Copy-Number at the Cyp6g1 Locus Contribute to Resistance to Multiple Insecticides in Drosophila

    PubMed Central

    Harrop, Thomas W. R.; Sztal, Tamar; Lumb, Christopher; Good, Robert T.; Daborn, Phillip J.; Batterham, Philip; Chung, Henry

    2014-01-01

    Widespread use of insecticides has led to insecticide resistance in many populations of insects. In some populations, resistance has evolved to multiple pesticides. In Drosophila melanogaster, resistance to multiple classes of insecticide is due to the overexpression of a single cytochrome P450 gene, Cyp6g1. Overexpression of Cyp6g1 appears to have evolved in parallel in Drosophila simulans, a sibling species of D. melanogaster, where it is also associated with insecticide resistance. However, it is not known whether the ability of the CYP6G1 enzyme to provide resistance to multiple insecticides evolved recently in D. melanogaster or if this function is present in all Drosophila species. Here we show that duplication of the Cyp6g1 gene occurred at least four times during the evolution of different Drosophila species, and the ability of CYP6G1 to confer resistance to multiple insecticides exists in D. melanogaster and D. simulans but not in Drosophila willistoni or Drosophila virilis. In D. virilis, which has multiple copies of Cyp6g1, one copy confers resistance to DDT and another to nitenpyram, suggesting that the divergence of protein sequence between copies subsequent to the duplication affected the activity of the enzyme. All orthologs tested conferred resistance to one or more insecticides, suggesting that CYP6G1 had the capacity to provide resistance to anthropogenic chemicals before they existed. Finally, we show that expression of Cyp6g1 in the Malpighian tubules, which contributes to DDT resistance in D. melanogaster, is specific to the D. melanogaster–D. simulans lineage. Our results suggest that a combination of gene duplication, regulatory changes and protein coding changes has taken place at the Cyp6g1 locus during evolution and this locus may play a role in providing resistance to different environmental toxins in different Drosophila species. PMID:24416303

  9. Survival of residual neutrophils and accelerated myelopoiesis limit the efficacy of antibody-mediated depletion of Ly-6G+ cells in tumor-bearing mice.

    PubMed

    Moses, Katrin; Klein, Johanna C; Männ, Linda; Klingberg, Anika; Gunzer, Matthias; Brandau, Sven

    2016-06-01

    Expansion of Ly-6G(+) myeloid cells has been reported in most murine cancer models. However, divergent findings exist regarding the role and effect of these cells on host immunity and tumor progression. Antibody-mediated depletion of Ly-6G(+) cells is a common technique to assess the in vivo relevance of these cells. Interpretation of results crucially depends on the efficacy and course of depletion. We established murine head and neck cancer models and analyzed the efficacy of antibody-mediated depletion by flow cytometry, conventional histology, and intravital imaging with a novel Ly-6G-transgenic mouse model. The first phase of depletion was characterized by effective elimination of Ly-6G(+) cells from the peripheral blood. Nevertheless, viable, resistant cells were found to reside in the tumor tissue and spleen. This peripheral depletion phase was associated with high systemic levels of granulocyte colony-stimulating factor and KC and enhanced splenic production of Ly-6G(+) cells. Even under sustained treatment with either αGr-1 or αLy-6G antibodies, peripheral blood depletion ended after approximately 1 wk and was followed by reappearance of immature Ly-6G(+) cells with an immunoregulatory phenotype. Reappearance of these depletion-resistant immature cells was enhanced in tumor-bearing, compared with naïve, control mice. Collectively, our data suggest that depletion of Ly-6G(+) myeloid cells in tumor-bearing mice is counteracted by the persistence of intratumoral cells, enhanced extramedullary granulopoiesis, and accelerated reappearance of immature cells. Hence, extensive monitoring of in vivo kinetics and tissue distribution of Ly-6G(+) cells is required in depletion studies.

  10. Peripheral serotonin-mediated system suppresses bone development and regeneration via serotonin 6 G-protein-coupled receptor

    PubMed Central

    Yun, Hyung-Mun; Park, Kyung-Ran; Hong, Jin Tae; Kim, Eun-Cheol

    2016-01-01

    Serotonin is important in brain functions and involved in neurological diseases. It is also drawn considerable attention in bone disease since it mainly produced by the gut. Serotonin 6 G-protein-coupled receptor (5-HT6R) is clinical targets for the treatment of neurological diseases. However, 5-HT6R as a therapeutic target in bone has not been reported. Herein, we found that 5-HT6R showed higher expression in bone, and its expression was increased during bone remodeling and osteoblast differentiation. The activation of 5-HT6R by ST1936 caused the inhibition of ALP activity and mineralization in primary osteoblast cultures, which was antagonized by SB258585, an antagonist and by the knockdown of 5-HT6R. Further investigation indicated that 5-HT6R inhibited osteoblast differentiation via Jab1 in BMP2 signaling but not PKA and ERK1/2. In vivo studies showed that the activation of 5-HT6R inhibited bone regeneration in the calvarial defect mice and also delayed bone development in newborn mice; this response was antagonized by SB258585. Therefore, our findings indicate a key role of 5-HT6R in bone formation through serotonin originating in the peripheral system, and suggest that it is a novel therapeutic target for drug development in the bone repair and bone diseases. PMID:27581523

  11. Peripheral serotonin-mediated system suppresses bone development and regeneration via serotonin 6 G-protein-coupled receptor.

    PubMed

    Yun, Hyung-Mun; Park, Kyung-Ran; Hong, Jin Tae; Kim, Eun-Cheol

    2016-01-01

    Serotonin is important in brain functions and involved in neurological diseases. It is also drawn considerable attention in bone disease since it mainly produced by the gut. Serotonin 6 G-protein-coupled receptor (5-HT6R) is clinical targets for the treatment of neurological diseases. However, 5-HT6R as a therapeutic target in bone has not been reported. Herein, we found that 5-HT6R showed higher expression in bone, and its expression was increased during bone remodeling and osteoblast differentiation. The activation of 5-HT6R by ST1936 caused the inhibition of ALP activity and mineralization in primary osteoblast cultures, which was antagonized by SB258585, an antagonist and by the knockdown of 5-HT6R. Further investigation indicated that 5-HT6R inhibited osteoblast differentiation via Jab1 in BMP2 signaling but not PKA and ERK1/2. In vivo studies showed that the activation of 5-HT6R inhibited bone regeneration in the calvarial defect mice and also delayed bone development in newborn mice; this response was antagonized by SB258585. Therefore, our findings indicate a key role of 5-HT6R in bone formation through serotonin originating in the peripheral system, and suggest that it is a novel therapeutic target for drug development in the bone repair and bone diseases. PMID:27581523

  12. High Raman-to-fluorescence ratio of Rhodamine 6G excited with 532  nm laser wavelength using a closely packed, self-assembled monolayer of silver nanoparticles.

    PubMed

    Sadegh, N; Khadem, H; Tavassoli, S H

    2016-08-01

    A highly efficient Raman-to-fluorescence ratio of Rhodamine 6G is obtained by means of 532 nm laser wavelength, which is in close proximity of the dye's absorption maximum. Closely packed, gap-filled self-assembled monolayers of silver nanoparticles were produced to observe the Raman signals of Rhodamine 6G. Two mechanisms contribute to detect the Raman signals of the fluorescent sample: surface-enhanced Raman scattering (SERS) and nanomaterial surface energy transfer (NSET). Self-assembled monolayers of silver nanoparticles with different coverage densities and also those filled with probe molecules were prepared through variations of the substrate's immersion time in a nanoparticle solution and drying the substrate, respectively. Examination of the effects of these two factors on the plasmonic response and SERS efficiency of the substrate revealed that in a gap-filled dense coverage, near-field interactions dominate, which remarkably increase the Raman-to-fluorescence ratio (RFR). To have a perfect dense coverage, the efficient immersion time was obtained at about 48 h. Drying the substrates also caused further enhancement in RFR through filling interparticle spaces with dye molecules and, accordingly, an increase in NSET efficiency. PMID:27505398

  13. Enhancement of Singlet-Triplet Energy Transfer Between Dyes in a Polymer Film by Surface Plasmons of Gold Nanoparticles

    NASA Astrophysics Data System (ADS)

    Tsibul'nikova, A. V.; Bryukhanov, V. V.; Slezhkin, V. A.

    2015-04-01

    The effect of the plasmon energy generated in Ag citrate hydrosol and ablated Au nanoparticles on the singlettriplet electron energy transfer between rhodamine 6G (R6G) and acriflavine (ACF) molecules incorporated into polyvinyl alcohol (PVA) films is studied. The increased efficiency of non-radiative energy transfer in the presence of Au nanoparticles and the increased lifetime of excited states of molecules are established.

  14. Fructan of the inulin neoseries is synthesized in transgenic chicory plants (Cichorium intybus L.) harbouring onion (Allium cepa L.) fructan:fructan 6G-fructosyltransferase.

    PubMed

    Vijn, I; van Dijken, A; Sprenger, N; van Dun, K; Weisbeek, P; Wiemken, A; Smeekens, S

    1997-03-01

    Fructan (polyfructosylsucrose) is an important storage carbohydrate in many plant families. fructan:fructan 6G-fructosyltransferase (6G-FFT) is a key enzyme in the formation of the inulin neoseries, a type of fructan accumulated by members of the Liliales. We have cloned the 6G-FFT from onion by screening a cDNA library using barley sucrose:fructan 6-fructosyltransferase (6-SFT) as a probe. The deduced amino acid sequence showed a high homology with plant invertases and 6-SFT. Incubation of protein extracts from transgenic tobacco plants with the trisaccharide 1-kestose and sucrose resulted in the formation of neokestose and fructans of the inulin neoseries with a degree of polymerization up to six. Introduction of the onion 6G-FFT into chicory resulted in the synthesis of fructan of the inulin neoseries, in addition to the synthesis of linear inulin.

  15. Postglacial Rebound and Current Ice Loss Estimates from Space Geodesy: The New ICE-6G (VM5a) Global Model

    NASA Astrophysics Data System (ADS)

    Peltier, W. R.; Argus, D.; Drummond, R.; Moore, A. W.

    2012-12-01

    We compare, on a global basis, estimates of site velocity against predictions of the newly constructed postglacial rebound model ICE-6G (VM5a). This model is fit to observations of North American postglacial rebound thereby demonstrating that the ice sheet at last glacial maximum must have been, relative to ICE-5G,thinner in southern Manitoba, thinner near Yellowknife (northwest Territories), thicker in eastern and southern Quebec, and thicker along the British Columbia-Alberta border. The GPS based estimates of site velocity that we employ are more accurate than were previously available because they are based on GPS estimates of position as a function of time determined by incorporating satellite phase center variations [Desai et al. 2011]. These GPS estimates are constraining postglacial rebound in North America and Europe more tightly than ever before. In particular, given the high density of GPS sites in North America, and the fact that the velocity of the mass center (CM) of Earth is also more tightly constrained, the new model much more strongly constrains both the lateral extent of the proglacial forebulge and the rate at which this peripheral bulge (that was emplaced peripheral to the late Pleistocence Laurentia ice sheet) is presently collapsing. This fact proves to be important to the more accurate inference of the current rate of ice loss from both Greenland and Alaska based upon the time dependent gravity observations being provided by the GRACE satellite system. In West Antarctica we have also been able to significantly revise the previously prevalent ICE-5G deglaciation history so as to enable its predictions to be optimally consistent with GPS site velocities determined by connecting campaign WAGN measurements to those provided by observations from the permanent ANET sites. Ellsworth Land (south of the Antarctic peninsula), is observed to be rising at 6 ±3 mm/yr according to our latest analyses; the Ellsworth mountains themselves are observed to be

  16. Transparent gel and xerogel of thorium phosphate: optical spectroscopy with: Nd3+,Eu3+,Cr3+ and Rhodamine 6G

    SciTech Connect

    Genet, M.; Brandel, V.; Lahalle, M.P.; Simoni, E.

    1992-03-01

    Chemical conditions for thorium phosphate gel preparation have been determined. The transparency is of good optical quality and the gel is very stable for a long time. Under drying condition, this gel can give rise to the xerogel which is still transparent. We can also prepare this xerogel by simple evaporation at room temperature of a very concentrated solution of thorium phosphate. From this viscous medium, the xerogel can be obtained in various kinds of shapes : threads, slabs and blocks. Solidification time depends on the final volume desired and spreads from few minutes to several weeks. Absorption spectrum of pure gel and xerogel have been recorded. Gel and xerogel doped with very well known probes like Nd3+ and Er3+ were examined to compare their optical properties with aqueous medium of the same chemical composition. Eu3+ doped gel and xerogel were also studied using their fluorescence properties. The optical properties of Cr3+ in doped gel and xerogel allowed us to determine the kinetics of hydration sphere modification during the drying period. Finally, as xerogel synthesis takes place at room temperature, fragile organic dye can be used as dopant, so Rhodamine 6G absorption and emission spectra have been studied in these conditions. When, at that time, the xerogel is doped with Coumarin 460 and Tb3+ an energy transfer is observed between dye and Tb3+ ions, which contributes to enhance the fluorescence of Tb3+ ions. Eu3+ behaves similarly. In conclusion, gel and xerogel of thorium phosphate tested with usual probes such as 3d, 4f ions and dyes seem to be very promising matrices.

  17. CD11b+ Ly6Chi Ly6G- immature myeloid cells recruited in response to Salmonella enterica serovar Typhimurium infection exhibit protective and immunosuppressive properties.

    PubMed

    Tam, Jason W; Kullas, Amy L; Mena, Patricio; Bliska, James B; van der Velden, Adrianus W M

    2014-06-01

    Immature myeloid cells in bone marrow are a heterogeneous population of cells that, under normal conditions, provide tissues with protective cell types such as granulocytes and macrophages. Under certain pathological conditions, myeloid cell homeostasis is altered and immature forms of these cells appear in tissues. Murine immature myeloid cells that express CD11b and Ly6C or Ly6G (two isoforms of Gr-1) have been associated with immunosuppression in cancer (in the form of myeloid-derived suppressor cells) and, more recently, infection. Here, we found that CD11b(+) Ly6C(hi) Ly6G(-) and CD11b(+) Ly6C(int) Ly6G(+) cells accumulated and persisted in tissues of mice infected with Salmonella enterica serovar Typhimurium (S. Typhimurium). Recruitment of CD11b(+) Ly6C(hi) Ly6G(-) but not CD11b(+) Ly6C(int) Ly6G(+) cells from bone marrow into infected tissues depended on chemokine receptor CCR2. The CD11b(+) Ly6C(hi) Ly6G(-) cells exhibited a mononuclear morphology, whereas the CD11b(+) Ly6C(int) Ly6G(+) cells exhibited a polymorphonuclear or band-shaped nuclear morphology. The CD11b(+) Ly6C(hi) Ly6G(-) cells differentiated into macrophage-like cells following ex vivo culture and could present antigen to T cells in vitro. However, significant proliferation of T cells was observed only when the ability of the CD11b(+) Ly6C(hi) Ly6G(-) cells to produce nitric oxide was blocked. CD11b(+) Ly6C(hi) Ly6G(-) cells recruited in response to S. Typhimurium infection could also present antigen to T cells in vivo, but increasing their numbers by adoptive transfer did not cause a corresponding increase in T cell response. Thus, CD11b(+) Ly6C(hi) Ly6G(-) immature myeloid cells recruited in response to S. Typhimurium infection exhibit protective and immunosuppressive properties that may influence the outcome of infection.

  18. Molecule nanoweaver

    DOEpatents

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  19. Dependence of the activation energy of rhodamine 6G phototransformation into an irreversible photoproduct on the excitation wavelength

    SciTech Connect

    Aristov, A.V.

    1994-12-01

    The results of our previous studies of the quantum yield {Phi}{sub ip} of irreversible phototransformations in rhodamines in deoxygenated solutions are presented along with the results of a quantum-chemical analysis of the dipole-dipole electronic transitions between different molecular orbitals in the 15000-38000 cm{sup -1} spectral region. A combined analysis of these results gives insight into the features of the singlet-singlet absorption spectrum of xanthene dyes in a broad spectral region from 15000 to 38000 cm{sup -1} and explains a considerable difference in values of {Phi}{sub ip} upon excitations into the isoenergetic states in different parts of the absorption spectrum. The relation between the threshold activation energy of the photodestruction of molecules and molecular orbitals involved in the electronic transitions induced by absorption of photons in different spectral regions is found. 10 refs., 1 fig.

  20. Dye-capped semiconductor nanoclusters. Excited state and photosensitization aspects of rhodamine 6G H-aggregates bound to SiO{sub 2} and SnO{sub 2} colloids

    SciTech Connect

    Nasr, C. |; Liu, D.; Kamat, P.V.; Hotchandani, S.

    1996-06-27

    SiO{sub 2} and SnO{sub 2} colloids are capped with a cationic dye, rhodamine 6G, by electrostatic interaction. The close packing of these dye molecules on the negatively charged SiO{sub 2} and SnO{sub 2} colloid results in the formation of H-aggregates. These aggregates are nonfluorescent but can inject electrons from the excited state into SnO{sub 2} colloids. The photophysical and photochemical properties of rhodamine-6G-aggregate on SiO{sub 2} and SnO{sub 2} colloids have been investigated using picosecond laser flash photolysis. Charge injection from the excited dye aggregate into SnO{sub 2} nanocrystallites occurs with a rate constant of 5.5 x 10{sup 9} s{sup -1}. The application of these dye aggregates in extending the photoresponse of nanocrystalline SnO{sup 2} film has been demonstrated by constructing a photoelectrochemical cell. A maximum incident photon-to-photocurrent efficiency of nearly 1% was observed for the photosensitized current generation. Fast reverse electron transfer between the injected electron and the cation radical of the dye aggregate is a limiting factor in maximizing the incident photon-to-photocurrent efficiency (IPCE). 65 refs., 11 figs.

  1. Room temperature single molecule microscopes

    SciTech Connect

    Ambrose, W.P.; Goodwin, P.M.; Enderlein, G.; Semin, D.J.; Keller, R.A.

    1997-12-31

    We have developed three capabilities to image the locations of and interrogate immobilized single fluorescent molecules: near-field scanning optical, confocal scanning optical, and wide-field epi-fluorescence microscopy. Each microscopy has its own advantages. Near-field illumination can beat the diffraction limit. Confocal microscopy has high brightness and temporal resolution. Wide-field has the quickest (parallel) imaging capability. With confocal microscopy, we have verified that single fluorescent spots in our images are due to single molecules by observing photon antibunching. Using all three microscopies, we have observed that xanthene molecules dispersed on dry silica curiously exhibit intensity fluctuations on millisecond to minute time scales. We are exploring the connection between the intensity fluctuations and fluctuations in individual photophysical parameters. The fluorescence lifetimes of Rhodamine 6G on silica fluctuate. The complex nature of the intensity and lifetime fluctuations is consistent with a mechanism that perturbs more than one photophysical parameter.

  2. Application of derivative and derivative ratio spectrophotometry to simultaneous trace determination of rhodamine B and rhodamine 6G after dispersive liquid-liquid microextraction

    NASA Astrophysics Data System (ADS)

    Xiao, Ni; Deng, Jian; Huang, Kaihui; Ju, Saiqin; Hu, Canhui; Liang, Jun

    2014-07-01

    Two novel methods, first derivative spectrophotometric method (1D) and first derivative ratio spectrophotometric method (1DR), have been developed for the simultaneous trace determination of rhodamine B (RhB) and rhodamine 6G (Rh6G) in food samples after dispersive liquid-liquid microextraction (DLLME). The combination of derivative spectrophotometric techniques and DLLME procedure endows the presented methods with enhanced sensitivity and selectivity. Under optimum conditions, the linear calibration curves ranged from 5 to 450 ng mL-1, with the correlation coefficients (r) of 0.9997 for RhB and 0.9977 for Rh6G by 1D method, and 0.9987 for RhB and 0.9958 for Rh6G by 1DR method, respectively. The calculated limits of detection (LODs) based on the variability of the blank solutions (S/N = 3 criterion) for 11 measurements were in the range of 0.48-1.93 ng mL-1. The recoveries ranged from 88.1% to 111.6% (with RSD less than 4.4%) and 91.5-110.5% (with RSD less than 4.7%) for 1D and 1DR method, respectively. The influence of interfering substances such as foreign ions and food colorants which might be present in the food samples on the signals of RhB and Rh6G was examined. The developed methods have been successfully applied to the determination of RhB and Rh6G in black tea, red wine and chilli powder samples with the characteristics of simplicity, cost-effectiveness, environmental friendliness, and could be valuable for routine analysis.

  3. Transforming a Fructan:Fructan 6G-Fructosyltransferase from Perennial Ryegrass into a Sucrose:Sucrose 1-Fructosyltransferase1[C

    PubMed Central

    Lasseur, Bertrand; Schroeven, Lindsey; Lammens, Willem; Le Roy, Katrien; Spangenberg, German; Manduzio, Hélène; Vergauwen, Rudy; Lothier, Jérémy; Prud'homme, Marie-Pascale; Van den Ende, Wim

    2009-01-01

    Fructosyltransferases (FTs) synthesize fructans, fructose polymers accumulating in economically important cool-season grasses and cereals. FTs might be crucial for plant survival under stress conditions in species in which fructans represent the major form of reserve carbohydrate, such as perennial ryegrass (Lolium perenne). Two FT types can be distinguished: those using sucrose (S-type enzymes: sucrose:sucrose 1-fructosyltransferase [1-SST], sucrose:fructan 6-fructosyltransferase) and those using fructans (F-type enzymes: fructan:fructan 1-fructosyltransferase [1-FFT], fructan:fructan 6G-fructosyltransferase [6G-FFT]) as preferential donor substrate. Here, we report, to our knowledge for the first time, the transformation of an F-type enzyme (6G-FFT/1-FFT) into an S-type enzyme (1-SST) using perennial ryegrass 6G-FFT/1-FFT (Lp6G-FFT/1-FFT) and 1-SST (Lp1-SST) as model enzymes. This transformation was accomplished by mutating three amino acids (N340D, W343R, and S415N) in the vicinity of the active site of Lp6G-FFT/1-FFT. In addition, effects of each amino acid mutation alone or in combination have been studied. Our results strongly suggest that the amino acid at position 343 (tryptophan or arginine) can greatly determine the donor substrate characteristics by influencing the position of the amino acid at position 340. Moreover, the presence of arginine-343 negatively affects the formation of neofructan-type linkages. The results are compared with recent findings on donor substrate selectivity within the group of plant cell wall invertases and fructan exohydrolases. Taken together, these insights contribute to our knowledge of structure/function relationships within plant family 32 glycosyl hydrolases and open the way to the production of tailor-made fructans on a larger scale. PMID:18952861

  4. Application of derivative and derivative ratio spectrophotometry to simultaneous trace determination of rhodamine B and rhodamine 6G after dispersive liquid-liquid microextraction.

    PubMed

    Xiao, Ni; Deng, Jian; Huang, Kaihui; Ju, Saiqin; Hu, Canhui; Liang, Jun

    2014-07-15

    Two novel methods, first derivative spectrophotometric method ((1)D) and first derivative ratio spectrophotometric method ((1)DR), have been developed for the simultaneous trace determination of rhodamine B (RhB) and rhodamine 6G (Rh6G) in food samples after dispersive liquid-liquid microextraction (DLLME). The combination of derivative spectrophotometric techniques and DLLME procedure endows the presented methods with enhanced sensitivity and selectivity. Under optimum conditions, the linear calibration curves ranged from 5 to 450 ng mL(-1), with the correlation coefficients (r) of 0.9997 for RhB and 0.9977 for Rh6G by (1)D method, and 0.9987 for RhB and 0.9958 for Rh6G by (1)DR method, respectively. The calculated limits of detection (LODs) based on the variability of the blank solutions (S/N = 3 criterion) for 11 measurements were in the range of 0.48-1.93 ng mL(-1). The recoveries ranged from 88.1% to 111.6% (with RSD less than 4.4%) and 91.5-110.5% (with RSD less than 4.7%) for (1)D and (1)DR method, respectively. The influence of interfering substances such as foreign ions and food colorants which might be present in the food samples on the signals of RhB and Rh6G was examined. The developed methods have been successfully applied to the determination of RhB and Rh6G in black tea, red wine and chilli powder samples with the characteristics of simplicity, cost-effectiveness, environmental friendliness, and could be valuable for routine analysis.

  5. RCRA Facility Investigation/Remedial Investigation Report with Baseline Risk Assessment for the Central Shops Burning/Rubble Pit (631-6G), Volume 1 Final

    SciTech Connect

    1996-04-01

    The Burning/Rubble Pits at the Savannah River Site were usually shallow excavations approximately 3 to 4 meters in depth. Operations at the pits consisted of collecting waste on a continuous basis and burning on a monthly basis. The Central Shops Burning/Rubble Pit 631- 6G (BRP6G) was constructed in 1951 as an unlined earthen pit in surficial sediments for disposal of paper, lumber, cans and empty galvanized steel drums. The unit may have received other materials such as plastics, rubber, rags, cardboard, oil, degreasers, or drummed solvents. The BRP6G was operated from 1951 until 1955. After disposal activities ceased, the area was covered with soil. Hazardous substances, if present, may have migrated into the surrounding soil and/or groundwater. Because of this possibility, the United States Environmental Protection Agency (EPA) has designated the BRP6G as a Solid Waste Management Unit (SWMU) subject to the Resource Conservation Recovery Act/Comprehensive Environmental Response, Compensation and Liability Act (RCRA/CERCLA) process.

  6. Dual optoelectronic visual detection and quantification of spectroscopically silent heavy metal toxins: a multi-measurand sensing strategy based on Rhodamine 6G as chromo or fluoro ionophore.

    PubMed

    Prathish, K P; James, D; Jaisy, J; Prasada Rao, T

    2009-08-01

    A novel colorimetric chemo-sensor for the simultaneous visual detection and quantification of spectroscopically silent heavy metal toxins viz. cadmium, lead and mercury has been developed. This is based on the proposed sequential ligand exchange (SLE) mechanism of iodide from Pb-I(-)-Rhodamine 6G ion associate with citrate (without affecting ion associates of Cd and Hg) and subsequently from Cd-I(-)-Rhodamine 6G ion associate with EDTA (without affecting Hg-I(-)-Rhodamine 6G). Multi-measurand detection and quantification by colorimetry is possible as the individual toxins gives identical bathochromic shifts in aqueous solution, i.e. from 530 to 575 nm on formation of ternary ion associates in singular, binary and ternary mixtures. The visual detection provides a simple, quick and sensitive detection method in addition to quantification via spectrophotometry with Sandell sensitivities of 1.1, 15 and 2.5 microg dm(-2) for cadmium, lead and mercury, respectively. The developed procedure has been successfully tested for the analysis of environmental (cast alkali, lead acid battery and zinc manufacturing industry effluents) samples. Furthermore, the multi-measurand quantification of the above-mentioned heavy metal toxins based on fluorescence quenching and use of Pyronine G as chromo-ionophore instead of Rhodamine 6G is also described.

  7. Soluble and membrane-bound Drosophila melanogaster CYP6G1 expressed in Escherichia coli: purification, activity, and binding properties toward multiple pesticides.

    PubMed

    Cheesman, Matthew J; Traylor, Matthew J; Hilton, Margaret E; Richards, Katelyn E; Taylor, Matthew C; Daborn, Phillip J; Russell, Robyn J; Gillam, Elizabeth M J; Oakeshott, John G

    2013-05-01

    Cytochrome P450 CYP6G1 has been implicated in the resistance of Drosophila melanogaster to numerous pesticides. While in vivo and in vitro studies have provided insight to the diverse functions of this enzyme, direct studies on the isolated CYP6G1 enzyme have not been possible due to the need for a source of recombinant enzyme. In the current study, the Cyp6g1 gene was isolated from D. melanogaster and re-engineered for heterologous expression in Escherichia coli. Approximately 460 nmol L⁻¹ of P450 holoenzyme were obtained in 500 mL cultures. The recombinant enzyme was located predominantly within the bacterial cytosol. A two-step purification protocol using Ni-chelate affinity chromatography followed by removal of detergent on a hydroxyapatite column produced essentially homogenous enzyme from both soluble and membrane fractions. Recombinant CYP6G1 exhibited p-nitroanisole O-dealkylation activity but was not active against eleven other typical P450 marker substrates. Substrate-induced binding spectra and IC₅₀ values for inhibition of p-nitroanisole O-dealkylation were obtained for a wide selection of pesticides, namely DDT, imidacloprid, chlorfenvinphos, malathion, endosulfan, dieldrin, dicyclanil, lufenuron and carbaryl, supporting previous in vivo and in vitro studies on Drosophila that have suggested that the enzyme is involved in multi-pesticide resistance in insects. PMID:23470655

  8. Novel ternary component Ag-SrTa2O6/g-C3N4 photocatalyst: Synthesis, optical properties and visible light photocatalytic activity

    NASA Astrophysics Data System (ADS)

    Su, Yiguo; Zhao, Yanxia; Zhao, Yingjie; Lang, Junyu; Xin, Xin; Wang, Xiaojing

    2015-12-01

    In this work, we report on the synthesis of a novel ternary component Ag-SrTa2O6/g-C3N4 photocatalytic system with efficient visible light photocatalytic activity toward Cr(VI) photoreduction and methyl orange degradation. The samples were carefully characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, UV-vis diffuse reflectance spectroscopy, Fourier transformed infrared spectroscopy and photocatalytic test. It is found that SrTa2O6 was deposited on the surface of g-C3N4 and that obtained SrTa2O6/g-C3N4 heterojunction photocatalyst showed strong absorption in the visible light region. Photocatalytic test indicated that the as-prepared SrTa2O6/g-C3N4 heterojunction showed increased photocatalytic activity toward Cr(VI) photoreduction and methyl orange degradation in comparison with the bare SrTa2O6 and g-C3N4 under visible light irradiation. The matching of the band structure between SrTa2O6 and g-C3N4 induced an efficient photogenerated electron transfer from the conduction band of g-C3N4 to the conduction band of SrTa2O6, resulting in efficient separation of the photogenerated electron-hole pairs and the subsequent promotion of photocatalytic activity. Moreover, the decoration of Ag on SrTa2O6/g-C3N4 led to the formation of ternary component Ag-SrTa2O6/g-C3N4 photocatalyst, which can highly enhance the visible light absorption efficiency and robustlypromote the photocatalytic activity by a factor of 2.8 for Cr(VI) photoreduction and 4.6 for methyl orange degradation, respectively. Ag decoration on SrTa2O6/g-C3N4 can not only extend the visible light absorption region due to surface plasmon resonance effects, but also act as an electron mediator for efficient migration of photogenerated electrons and simultaneously prevent the recombination of photogenerated electron-hole pairs as much as possible. Finally, a possible photocatalytic mechanism of the charge transfer in Ag-SrTa2O6/g-C3N4 photocatalyst was proposed.

  9. Ag@SiO2 Core-shell Nanoparticles for Probing Spatial Distribution of Electromagnetic Field Enhancement via Surface-Enhanced Raman Scattering

    SciTech Connect

    Wang, Wei; Li, Zhipeng; Gu, Baohua; Zhang, Zhenyu; Xu, Hongxing

    2009-01-01

    We show that the spatial distribution of the electromagnetic (EM) field enhancement can be probed directly via dynamic evolution of surface-enhanced Raman scattering (SERS) of Rhodamine 6G (R6G) molecules as they diffuse into Ag@SiO2 core-shell nanoparticles. The porous silica shell limits the diffusion of R6G molecules towards inner Ag cores, thereby allowing direct observation and quantification of the spatial distribution of SERS enhancement as molecules migrate from the low to high EM fields inside the dielectric silica shell. Our experimental evidence is validated by the generalized Mie theory, and the approach can potentially offer a novel platform for further investigating the site and spatial distribution of the EM fields and the EM versus chemical enhancement of SERS due to molecular confinement within the Ag@SiO2 nanoshell.

  10. Mobius Molecules

    ERIC Educational Resources Information Center

    Eckert, J. M.

    1973-01-01

    Discusses formation of chemical molecules via Mobius strip intermediates, and concludes that many special physics-chemical properties of the fully closed circular form (1) of polyoma DNA are explainable by this topological feature. (CC)

  11. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  12. Interstellar molecules

    NASA Astrophysics Data System (ADS)

    Smith, D.

    1987-09-01

    Some 70 different molecular species have so far been detected variously in diffuse interstellar clouds, dense interstellar clouds, and circumstellar shells. Only simple (diatomic and triatomic) species exist in diffuse clouds because of the penetration of destructive UV radiations, whereas more complex (polyatomic) molecules survive in dense clouds as a result of the shielding against this UV radiation provided by dust grains. A current list of interstellar molecules is given together with a few other molecular species that have so far been detected only in circumstellar shells. Also listed are those interstellar species that contain rare isotopes of several elements. The gas phase ion chemistry is outlined via which the observed molecules are synthesized, and the process by which enrichment of the rare isotopes occurs in some interstellar molecules is described.

  13. Modeling Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

  14. Enumerating molecules.

    SciTech Connect

    Visco, Donald Patrick, Jr.; Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  15. Second harmonic and sum frequency generation on dye-coated surfaces using collinear and non-collinear excitation geometries. [Rhodamine 6G monolayers on glass

    SciTech Connect

    Muenchausen, R.E.; Nguyen, D.C.; Keller, R.A.; Nogar, N.S.

    1986-01-01

    Doubly resonantly enhanced sum frequency generation from rhodamine 6G monolayers adsorbed on glass substates is compared with resonantly enhanced second harmonic generation using a collinear excitation geometry. Second harmonic and sum frequency generation with a non-collinear excitation geometry is also reported where spatial filtering of the non-collinear output is shown to increase the scattered light rejection by more than 4 orders of magnitude.

  16. The shape effect of Au particles on random laser action in disordered media of Rh6G dye doped with PMMA polymer

    NASA Astrophysics Data System (ADS)

    Yin, Jiajia; Feng, Guoying; Zhou, Shouhuan; Zhang, Hong; Wang, Shutong; Zhang, Hua

    2016-10-01

    Random laser actions in a disordered media based on polymethyl methacrylate (PMMA) polymer doped with Rh6G dye and Au nanoparticles have been demonstrated. It was observed that the shape of Au nanoparticles can tune the spectral central position of the random laser action. It was also seen that the shape of Au nanoparticles strongly affects the pump threshold. Comparing nanosphere- and nanorod-based systems, the nanorod-based one exhibited a lower threshold.

  17. Genomic and Transcriptomic Associations Identify a New Insecticide Resistance Phenotype for the Selective Sweep at the Cyp6g1 Locus of Drosophila melanogaster.

    PubMed

    Battlay, Paul; Schmidt, Joshua M; Fournier-Level, Alexandre; Robin, Charles

    2016-01-01

    Scans of the Drosophila melanogaster genome have identified organophosphate resistance loci among those with the most pronounced signature of positive selection. In this study, the molecular basis of resistance to the organophosphate insecticide azinphos-methyl was investigated using the Drosophila Genetic Reference Panel, and genome-wide association. Recently released full transcriptome data were used to extend the utility of the Drosophila Genetic Reference Panel resource beyond traditional genome-wide association studies to allow systems genetics analyses of phenotypes. We found that both genomic and transcriptomic associations independently identified Cyp6g1, a gene involved in resistance to DDT and neonicotinoid insecticides, as the top candidate for azinphos-methyl resistance. This was verified by transgenically overexpressing Cyp6g1 using natural regulatory elements from a resistant allele, resulting in a 6.5-fold increase in resistance. We also identified four novel candidate genes associated with azinphos-methyl resistance, all of which are involved in either regulation of fat storage, or nervous system development. In Cyp6g1, we find a demonstrable resistance locus, a verification that transcriptome data can be used to identify variants associated with insecticide resistance, and an overlap between peaks of a genome-wide association study, and a genome-wide selective sweep analysis. PMID:27317781

  18. Genomic and Transcriptomic Associations Identify a New Insecticide Resistance Phenotype for the Selective Sweep at the Cyp6g1 Locus of Drosophila melanogaster

    PubMed Central

    Battlay, Paul; Schmidt, Joshua M.; Fournier-Level, Alexandre; Robin, Charles

    2016-01-01

    Scans of the Drosophila melanogaster genome have identified organophosphate resistance loci among those with the most pronounced signature of positive selection. In this study, the molecular basis of resistance to the organophosphate insecticide azinphos-methyl was investigated using the Drosophila Genetic Reference Panel, and genome-wide association. Recently released full transcriptome data were used to extend the utility of the Drosophila Genetic Reference Panel resource beyond traditional genome-wide association studies to allow systems genetics analyses of phenotypes. We found that both genomic and transcriptomic associations independently identified Cyp6g1, a gene involved in resistance to DDT and neonicotinoid insecticides, as the top candidate for azinphos-methyl resistance. This was verified by transgenically overexpressing Cyp6g1 using natural regulatory elements from a resistant allele, resulting in a 6.5-fold increase in resistance. We also identified four novel candidate genes associated with azinphos-methyl resistance, all of which are involved in either regulation of fat storage, or nervous system development. In Cyp6g1, we find a demonstrable resistance locus, a verification that transcriptome data can be used to identify variants associated with insecticide resistance, and an overlap between peaks of a genome-wide association study, and a genome-wide selective sweep analysis. PMID:27317781

  19. 'Escentric' molecules.

    PubMed

    Schön, Geza

    2008-06-01

    Can a fragrance be revolutionary? In this commentary, the creation of two unusual, extravagant fine fragrances, 'escentric01' and 'molecule01', is described. In response to the fantasy components found in release notes of many recent perfume launches, both center around a single real fragrance raw material, the transparent woody aroma chemical 'Iso E Super' (1+2). The perfume 'escentric01' contains 65% of it, accompanied by Trisamber (3), red pepper, lime oil, incense and musks, while 'molecule01' consists exclusively of 'Iso E Super' (1+2). The elegant woody note lives here its own eccentric life--the revolution starts.

  20. Expansion of CD11b(+)Ly6G (+)Ly6C (int) cells driven by medroxyprogesterone acetate in mice bearing breast tumors restrains NK cell effector functions.

    PubMed

    Spallanzani, Raúl Germán; Dalotto-Moreno, Tomás; Raffo Iraolagoitia, Ximena Lucía; Ziblat, Andrea; Domaica, Carolina Inés; Avila, Damián Ezequiel; Rossi, Lucas Ezequiel; Fuertes, Mercedes Beatriz; Battistone, María Agustina; Rabinovich, Gabriel Adrián; Salatino, Mariana; Zwirner, Norberto Walter

    2013-12-01

    The progesterone analog medroxyprogesterone acetate (MPA) is widely used as a hormone replacement therapy in postmenopausal women and as contraceptive. However, prolonged administration of MPA is associated with increased incidence of breast cancer through ill-defined mechanisms. Here, we explored whether exposure to MPA during mammary tumor growth affects myeloid-derived suppressor cells (MDSCs; CD11b(+)Gr-1(+), mostly CD11b(+)Ly6G(+)Ly6C(int) and CD11b(+)Ly6G(-)Ly6C(high) cells) and natural killer (NK) cells, potentially restraining tumor immunosurveillance. We used the highly metastatic 4T1 breast tumor (which does not express the classical progesterone receptor and expands MDSCs) to challenge BALB/c mice in the absence or in the presence of MPA. We observed that MPA promoted the accumulation of NK cells in spleens of tumor-bearing mice, but with reduced degranulation ability and in vivo cytotoxic activity. Simultaneously, MPA induced a preferential expansion of CD11b(+)Ly6G(+)Ly6C(int) cells in spleen and bone marrow of 4T1 tumor-bearing mice. In vitro, MPA promoted nuclear mobilization of the glucocorticoid receptor (GR) in 4T1 cells and endowed these cells with the ability to promote a preferential differentiation of bone marrow cells into CD11b(+)Ly6G(+)Ly6C(int) cells that displayed suppressive activity on NK cell degranulation. Sorted CD11b(+)Gr-1(+) cells from MPA-treated tumor-bearing mice exhibited higher suppressive activity on NK cell degranulation than CD11b(+)Gr-1(+) cells from vehicle-treated tumor-bearing mice. Thus, MPA, acting through the GR, endows tumor cells with an enhanced capacity to expand CD11b(+)Ly6G(+)Ly6C(int) cells that subsequently display a stronger suppression of NK cell-mediated anti-tumor immunity. Our results describe an alternative mechanism by which MPA may affect immunosurveillance and have potential implication in breast cancer incidence. PMID:24114144

  1. Single-molecule electrophoresis. Final report

    SciTech Connect

    Castro, A.; Shera, E.B.

    1996-05-22

    A novel method for the detection and identification of single molecules in solution has been devised, computer-simulated, and experimentally achieved. The technique involves the determination of electrophoretic velocities by measuring the time required by individual molecules to travel a fixed distance between two laser beams. Computer simulations of the process were performed beforehand in order to estimate the experimental feasibility of the method, and to determine the optimum values for the various experimental parameters. Examples of the use of the technique for the ultrasensitive detection and identification of rhodamine-6G, a mixture of DNA restriction fragments, and a mixture of proteins in aqueous solution are presented.

  2. Short pulse generation from a flashlamp-pumped rhodamine 6G ring dye laser using the colliding pulse mode-locking technique

    SciTech Connect

    Singh, S.

    1987-01-01

    The colliding pulse mode-locking (CPM) technique has been applied to a flashlamp-pumped rhodamine 6G dye laser to reliably generate pulses of <1.5 ps. Pulse evolution in the ring cavity has been studied by examining the pulse characteristics at various parts of the pulse train using a Photochron II streak camera. The measured pulse durations in the ring cavity were found to be detector-limited and were shorter than those generated in a linear cavity. The shortest pulses were observed to evolve toward the end of the --600-ns long mode-locked train.

  3. A highly selective and sensitive photoswitchable fluorescent probe for Hg2+ based on bisthienylethene-rhodamine 6G dyad and for live cells imaging.

    PubMed

    Xu, Li; Wang, Sheng; Lv, Yingnian; Son, Young-A; Cao, Derong

    2014-07-15

    A new photochromic diarylethene derivative bearing rhodamine 6G dimmer as a fluorescent molecular probe is designed and synthesized successfully. All the compounds are characterized by nuclear magnetic resonance and mass spectrometry. The bisthienylethene-rhodamine 6G dyad exhibit excellent phtochromism with reversibly color and fluorescence changes alternating irradiation with ultraviolet and visible light. Upon addition of Hg(2+), its color changes from colorless to red and its fluorescence is remarkably enhanced. Whereas other ions including K(+), Na(+), Ca(2+), Mg(2+), Fe(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+), Mn(2+), Pb(2+), Ni(2+), Fe(3+), Al(3+), Cr(3+) and so on induce basically no spectral changes, which constitute a highly selective and sensitive photoswitchable fluorescent probe toward Hg(2+). Furthermore, by means of laser confocal scanning microscopy experiments, it is demonstrated that this probe can be applied for live cell imaging and monitoring Hg(2+) in living lung cancer cells with satisfying results, which shows its value of potential application in environmental and biological systems.

  4. Porous Silicon Covered with Silver Nanoparticles as Surface-Enhanced Raman Scattering (SERS) Substrate for Ultra-Low Concentration Detection.

    PubMed

    Kosović, Marin; Balarin, Maja; Ivanda, Mile; Đerek, Vedran; Marciuš, Marijan; Ristić, Mira; Gamulin, Ozren

    2015-12-01

    Microporous and macro-mesoporous silicon templates for surface-enhanced Raman scattering (SERS) substrates were produced by anodization of low doped p-type silicon wafers. By immersion plating in AgNO3, the templates were covered with silver metallic film consisting of different silver nanostructures. Scanning electron microscopy (SEM) micrographs of these SERS substrates showed diverse morphology with significant difference in an average size and size distribution of silver nanoparticles. Ultraviolet-visible-near-infrared (UV-Vis-NIR) reflection spectroscopy showed plasmonic absorption at 398 and 469 nm, which is in accordance with the SEM findings. The activity of the SERS substrates was tested using rhodamine 6G (R6G) dye molecules and 514.5 nm laser excitation. Contrary to the microporous silicon template, the SERS substrate prepared from macro-mesoporous silicon template showed significantly broader size distribution of irregular silver nanoparticles as well as localized surface plasmon resonance closer to excitation laser wavelength. Such silver morphology has high SERS sensitivity that enables ultralow concentration detection of R6G dye molecules up to 10(-15) M. To our knowledge, this is the lowest concentration detected of R6G dye molecules on porous silicon-based SERS substrates, which might even indicate possible single molecule detection.

  5. Walking molecules.

    PubMed

    von Delius, Max; Leigh, David A

    2011-07-01

    Movement is intrinsic to life. Biologists have established that most forms of directed nanoscopic, microscopic and, ultimately, macroscopic movements are powered by molecular motors from the dynein, myosin and kinesin superfamilies. These motor proteins literally walk, step by step, along polymeric filaments, carrying out essential tasks such as organelle transport. In the last few years biological molecular walkers have inspired the development of artificial systems that mimic aspects of their dynamics. Several DNA-based molecular walkers have been synthesised and shown to walk directionally along a track upon sequential addition of appropriate chemical fuels. In other studies, autonomous operation--i.e. DNA-walker migration that continues as long as a complex DNA fuel is present--has been demonstrated and sophisticated tasks performed, such as moving gold nanoparticles from place-to-place and assistance in sequential chemical synthesis. Small-molecule systems, an order of magnitude smaller in each dimension and 1000× smaller in molecular weight than biological motor proteins or the walker systems constructed from DNA, have also been designed and operated such that molecular fragments can be progressively transported directionally along short molecular tracks. The small-molecule systems can be powered by light or chemical fuels. In this critical review the biological motor proteins from the kinesin, myosin and dynein families are analysed as systems from which the designers of synthetic systems can learn, ratchet concepts for transporting Brownian substrates are discussed as the mechanisms by which molecular motors need to operate, and the progress made with synthetic DNA and small-molecule walker systems reviewed (142 references). PMID:21416072

  6. Anxiolytic-like effect of (4-benzylpiperazin-1-yl)(3-methoxyquinoxalin-2-yl)methanone (6g) in experimental mouse models of anxiety

    PubMed Central

    Bhatt, Shvetank; Mahesh, Radhakrishnan; Devadoss, Thangaraj; Jindal, Ankur Kumar

    2013-01-01

    Aim: The present study was designed to investigate the anxiolytic activity of 6g, a novel serotonin type-3 receptor (5-HT3) receptor antagonist in experimental mouse models of anxiety. Materials and Methods: The anxiolytic activity of “6g” (1 and 2 mg/kg, intraperitoneally [i.p.]) was evaluated in mice by using a battery of behavioral tests of anxiety such as elevated plus maze (EPM), light-dark (L&D) box, hole board (HB), and open field test (OFT) with diazepam (2 mg/kg, i.p.) as standard anxiolytic. None of the tested dose of “6g” affects the base line locomotion. Results: The new chemical entity “6g” (2 mg/kg, i.p.) and diazepam (2 mg/kg, i.p.) significantly (P < 0.05) increased the percentage of time spent and number of entries in open arm in the EPM test. In the L&D test compound “6g” (2 mg/kg, i.p.) and diazepam (2 mg/kg, i.p.) significantly (P < 0.05) increased the total time spent in light compartment as well as number of transitions from one compartment to other. Compound “6g” (1 and 2 mg/kg, i.p.) and diazepam (2 mg/kg, i.p.) also significantly (P < 0.05) increased number of head dips, whereas significantly (P < 0.05) decreased the head dipping latency in HB test as compared to vehicle control group. In addition, 6g (2 mg/kg, i.p.) and diazepam (2 mg/kg, i.p.) significantly (P < 0.05) increased the ambulation scores (square crossed) in OFT and there was no significant effect of 6g (1 and 2 mg/kg, i.p.) and diazepam (2 mg/kg, i.p.) on rearing scores. Conclusion: In conclusion, these findings indicated that compound “6g” exhibited an anxiolytic-like effect in animal models of anxiety. PMID:23833367

  7. Investigation of the effect of the duration of pumping on the spectral and spatial--angular characteristics of lasing by rhodamine 6G solutions in a short resonator

    SciTech Connect

    Smirnov, V.S.; Studenov, V.I.

    1985-10-01

    An investigation of the spectral and spatial--angular characteristics of radiation of a laser based on an ethanol solution of rhodamine 6G in a short plane-parallel nonselective resonator with longitudinal pumping by laser radiation of nano- and microsecond duration was performed. It was shown that in all cases formation of the characteristics of the radiation investigated is due to the resonator parameters of the Fabry-Perot interferometer used as a resonator. It was noted that on an increase in the duration of excitation a weak short-wave shift of the maximum of the lasing spectrum with a simultaneous blurring of the interference structure of the spectrum and of the radiation field occurs. The indicated facts are explained by the difference of the energy contribution to the lasing volume, which leads both to homogeneous heating of the solution in the lasing zone and to radial inhomogeneity of heat release, degrading the conditions of inteference.

  8. Compression mechanism of subpicosecond pulses by malachite green dye in passively mode-locked rhodamine 6G/DODCI CW dye lasers

    SciTech Connect

    Watanabe, A.; Hara, M.; Kobayashi, H.; Takemura, H.; Tanaka, S.

    1983-04-01

    The pulse width compression effect of a malachite green (MG) dye upon subpicosecond pulses has been experimentally investigated in a CW passively mode-locked rhodamine 6G/DODCI dye laser. The pulse width reduces as MG concentration increases, and reaches 0.34 ps at 1.5 X 10/sup -6/ M. By adding the MG dye, good mode locking is achieved in a rather wide pumping-power range. A computer simulation of pulse growth has also been carried out by using simple rate equations, in which the fast-recovery component of loss due to the MG dye is taken into account. The simulated results can explain some experimental results qualitatively such as pulse width compression and pumping-power restriction. The pulse width compression results essentially from the fast recovery of cavity loss caused by the MG dye.

  9. Unique Gold Nanoparticle Aggregates as a Highly Active SERS Substrate

    SciTech Connect

    Schwartzberg, A M; Grant, C D; Wolcott, A; Talley, C E; Huser, T R; Bogomolni, R; Zhang, J Z

    2004-04-06

    A unique gold nanoparticle aggregate (GNA) system has been shown to be an excellent substrate for surface-enhanced Raman scattering (SERS) applications. Rhodamine 6G (R6G), a common molecule used for testing SERS activity on silver, but generally difficult to detect on gold substrates, has been found to readily bind to the GNA and exhibit strong SERS activity due to the unique surface chemistry afforded by sulfur species on the surface. This GNA system has yielded a large SERS enhancement of 10{sup 7}-10{sup 9} in bulk solution for R6G, on par with or greater than any previously reported gold SERS substrate. SERS activity has also been successfully demonstrated for several biological molecules including adenine, L-cysteine, L-lysine, and L-histidine for the first time on a gold SERS substrate, showing the potential of this GNA as a convenient and powerful SERS substrate for biomolecular detection. In addition, SERS spectrum of R6G on single aggregates has been measured. We have shown that the special surface properties of the GNA, in conjunction with strong near IR absorption, make it useful for SERS analysis of a wide variety of molecules.

  10. On the diversity of reversible products of phototransformations in ethanol solutions of rhodamines at stepwise quantum excitation

    SciTech Connect

    Aristov, A.V.; Kozlovskii, D.A.; Nikolaev, A.B.

    1995-03-01

    The formation of various reversible products of phototransformations (RPP) in rhodamine 6G (R6G), rhodamine C (RC), and unsubstituted rhodamine (UR) solutions at pulsed stepwise quantum excitation is investigated. The dependence of the type of RPP on the specific system of molecular orbitals (MO), within the bounds of which light quanta are absorbed, is revealed. The excitation of molecules in the MO system responsible for absorbing the light with the wavelength {lambda} = 353 nm leads to formation of RPP, mainly as semioxidized forms of R6G, RC, an UR with a lifetime {tau} = 10{sup {minus}10}-10{sup {minus}9} s. The excitation of molecules in another system of orbitals, namely, in the system responsible for absorbing the light with {lambda} = 532 nm, is accompanied by formation of RPP with {tau} = 10{sup {minus}7}-10{sup {minus}6} s in the form of lactone modifications of RC and UR. Under similar conditions of exciting R6G molecules, the dye is converted not to the lactone form, but to another type of RPP with the same lifetime and with a much larger activation energy for its formation. The prospects of applying RPP in rhodamine solutions for the real-time optical control of spectral properties of these solutions are evaluated. 14 refs.

  11. Imaging biological molecules with single molecule sensitivity using near-field scanning optical microscopy

    SciTech Connect

    Ambrose, W.P.; Affleck, R.L.; Goodwin, P.M.; Keller, R.A.; Martin, J.C.; Petty, J.T.; Schecker, J.A.; Wu, Ming

    1995-12-01

    We have developed a near-field scanning optical microscope with the sensitivity to detect single fluorescent molecules. Our microscope is based on scanning a sample under a tapered and metal coated fiber optic probe and has an illumination-aperture diameter as small as 100 nm. The microscope simultaneously acquires a shear force image with a height noise of {approximately} 1 nm. We have used this system to demonstrate the detection of single molecules of Rhodamine-6G on silica. In this paper, we explore the use of NSOM for investigations of biological molecules. We have prepared and imaged double-stranded DNA intercalated with thiazole orange homodimer (TOTO); single chromosomes stained with propidium iodide; and {beta}-phycoerythrin proteins on dry, borosilicate-glass surfaces. At very dilute coverages, isolated fluorescent spots are observed for the un-intercalated TOTO dye and for {beta}-phycoerythrin. These fluorescent spots exhibit-emission intensity fluctuations and abrupt bleaching transitions, similar to the intensity behavior observed previously for single Rhodamine 6G molecules on silica.

  12. ICE-6G models of postglacial relative sea-level history applied to Holocene coral reef and mangrove records of the western Caribbean

    NASA Astrophysics Data System (ADS)

    Toscano, M. A.; Peltier, W. R.; Drummond, R.; Gonzalez, J.

    2012-12-01

    Fossil coral reefs and mangrove peat accumulations at western Caribbean sites along a latitudinal gradient from the Florida Keys through Belize and Panama provide dated and interpreted 8,000 year Holocene sea-level records for comparison with RSL predictions of the ICE-6G (VM5A, VM5B; L90) models of glacio-hydro-isostatic adjustment, with and without rotational feedback. These presumably passive continental margin sites provide the means to establish a N-S spatial trend in the varying influences of GIA, eustatic components of Holocene sea level, extent of forebulge collapse and influence of rotational feedback over a 20° latitudinal range. Previous ICE6G (VM5A) model-coral data comparisons for St Croix, USVI, Antigua, Martinique and Barbados (Toscano, Peltier and Drummond, 2011, QSR) along the eastern Caribbean plate and island arc illustrated the close model-data compatibility, the influence of rotational feedback acting as a significant factor in reducing misfits, and the need for high quality in situ data to confirm the extension of the proglacial forebulge into tropical latitudes. The gradient of western Caribbean continental shelf sites comprises a much more varied range of model-data relationships based on extensive combined Acropora palmata (reef crest coral) and Rhizophora mangle (microtidal mangrove) peat datasets in all cases. Starting at the northernmost region with the Florida Keys, there exist negative model misfits to the data, suggesting the possibility of a positive tectonic overprint upon expectations related to the glacial isostatic adjustment process acting alone, even though this region is normally believed to be tectonically stable. The largest multi-proxy database from Belize supports the likelihood of increasing rates of subsidence from north to south in the Belize Lagoon, which may account for numerous positive GIA model-data misfits. The southernmost site at Panama is most similar to Belize in the possible nature of tectonic influences on

  13. Study of Electro-Cyclonic Filtration and Pneumatic Transfer of Lunar Regolith Simulants under 1/6-g and 1-g Gravity Conditions

    NASA Technical Reports Server (NTRS)

    Mantovani, James G.; Townsend, Ivan I.; Mueller, Robert P.

    2009-01-01

    NASA has built a prototype oxygen production plant to process the lunar regolith using the hydrogen reduction chemical process. This plant is known as "ROxygen - making oxygen from moon rocks". The ROxygen regolith transfer team has identified the flow and transfer characteristics of lunar regolith simulant to be a concern for lunar oxygen production efforts. It is important to ISRU lunar exploration efforts to develop hardware designs that can demonstrate the ability to flow and transfer a given mass of regolith simulant to a desired vertical height under lunar gravity conditions in order to introduce it into a reactor. We will present results obtained under both 1/6-g and 1-g gravity conditions for a system that can pneumatically convey 16.5 kg of lunar regolith simulant (NU-LHT-2M, Mauna Kea Tephra, and JSC-1A) from a flat-bottom supply hopper to a simulated ISRU reactor (dual-chambered receiving hopper) where the granular material is separated from the convey gas (air) using a series of cyclone separators, one of which is an electrically enhanced cyclone separator (electrocyclone). The results of our study include (1) the mass flow rate as a function of input air pressure for lunar regolith simulants that are conveyed pneumatically as a dusty gas in a vertical direction against gravity under lunar gravity conditions (for NU-LHT-2M and Mauna Kea Tephra), and under earth gravity conditions (for NU-LHT-2M, Mauna Kea Tephra and JSC-1A), and (2) the efficiency of the cyclone/electrocyclone filtration system in separating the convey gas (air) from the granular particulates as a function of particle size.

  14. Approach to single-molecule detection by laser-induced fluorescence

    SciTech Connect

    Dovichi, N.J.; Martin, J.C.; Jett, J.H.; Trkula, M.; Keller, R.A.

    1983-08-01

    A sheath flow cuvette was evaluated in laser-induced fluorescence determination of aqueous rhodamine 6G. A detection limit of 18 attograms was obtained within a one-second signal integration time. The concentration detection limit was 8.9 x 10/sup -14/ mole per liter. An average of one-half rhodamine 6G molecule was present within the 11 pL excitation volume. However, during the signal integration time a total of 22,000 analyte molecules passed through the excitation in a 0.42 microliter volume.

  15. H2 genotypes of G4P[6], G5P[7], and G9[23] porcine rotaviruses show super-short RNA electropherotypes.

    PubMed

    Nagai, Makoto; Shimada, Saya; Fujii, Yoshiki; Moriyama, Hiromitsu; Oba, Mami; Katayama, Yukie; Tsuchiaka, Shinobu; Okazaki, Sachiko; Omatsu, Tsutomu; Furuya, Tetsuya; Koyama, Satoshi; Shirai, Junsuke; Katayama, Kazuhiko; Mizutani, Tetsuya

    2015-04-17

    During group A rotavirus (RVA) surveillance of pig farms in Japan, we detected three RVA strains (G4P[6], G5P[7], and G9P[23] genotypes), which showed super-short RNA patterns by polyacrylamide gel electrophoresis, in samples from a healthy eight-day-old pig and two pigs of seven and eight days old with diarrhea from three farms. Reverse transcription PCR and sequencing revealed that the full-length NSP5 gene of these strains contained 952 or 945 nucleotides, which is consistent with their super-short electropherotypes. Due to a lack of whole genome data on Japanese porcine RVAs, we performed whole genomic analyses of the three strains. The genomic segments of these RVA strains showed typical porcine RVA constellations, except for H2 NSP5 genotype, (G4,5,9-P[6,7,23]-I5-R1-C1-M1-A8-N1-T1-E1-H2 representing VP7-VP4-VP6-VP1-VP2-VP3-NSP1-NSP2-NSP3-NSP4-NSP5 genes). In phylogenetic analyses, these porcine RVA strains clustered with porcine and porcine-like human RVA strains and showed a typical porcine RVA backbone, except for the NSP5 gene; however, intra-genotype reassortment events among porcine and porcine-like human RVA strains were observed. The NSP5 gene segments of these strains were clustered within the H2b genotype with super-short human RVA strains. The H2 genotype has to date only been identified in human and lapine RVA strains. Thus, to our knowledge, this report presents the first case of H2 NSP5 genotype showing a super-short RNA pattern in porcine RVA. These data suggest the possibility of interspecies transmission between pigs and humans and imply that super-short porcine RVA strains possessing H2 genotype are circulating among both asymptomatic and diarrheic porcine populations in Japan. PMID:25724331

  16. Mixed titanium, silicon, and aluminum oxide nanostructures as novel adsorbent for removal of rhodamine 6G and methylene blue as cationic dyes from aqueous solution.

    PubMed

    Pal, Umapada; Sandoval, Alberto; Madrid, Sergio Isaac Uribe; Corro, Grisel; Sharma, Vivek; Mohanty, Paritosh

    2016-11-01

    Mixed oxide nanoparticles containing Ti, Si, and Al of 8-15 nm size range were synthesized using a combined sol-gel - hydrothermal method. Effects of composition on the structure, morphology, and optical properties of the nanoparticles were studied using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), microRaman spectroscopy, and diffuse reflectance spectroscopy (DRS). Dye removal abilities of the nanoparticles from aqueous solutions were tested for different cationic dyes. While all the mixed oxide nanoparticles revealed high and fast adsorption of cationic dyes, the particles containing Ti and Si turned out to be the best. The adsorption kinetics and equilibrium adsorption behavior of the adsorbate - adsorbent systems could be well described by pseudo-second-order kinetics and Langmuir isotherm model, respectively. Estimated thermodynamic parameters revealed the adsorption process is spontaneous, driven mainly by the electrostatic force between the cationic dye molecules and negative charge at nanoparticle surface. Highest dye adsorption capacity (162.96 mg MB/g) of the mixed oxide nanostructures containing Ti and Si is associated to their high specific surface area, and the presence of surface Si-O(δ-) groups, in addition to the hydroxyl groups of amorphous titania. Mixed oxide nanoparticles containing 75% Ti and 25% Si seen to be the most efficient adsorbents for removing cationic dye molecules from wastewater.

  17. Mixed titanium, silicon, and aluminum oxide nanostructures as novel adsorbent for removal of rhodamine 6G and methylene blue as cationic dyes from aqueous solution.

    PubMed

    Pal, Umapada; Sandoval, Alberto; Madrid, Sergio Isaac Uribe; Corro, Grisel; Sharma, Vivek; Mohanty, Paritosh

    2016-11-01

    Mixed oxide nanoparticles containing Ti, Si, and Al of 8-15 nm size range were synthesized using a combined sol-gel - hydrothermal method. Effects of composition on the structure, morphology, and optical properties of the nanoparticles were studied using X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), microRaman spectroscopy, and diffuse reflectance spectroscopy (DRS). Dye removal abilities of the nanoparticles from aqueous solutions were tested for different cationic dyes. While all the mixed oxide nanoparticles revealed high and fast adsorption of cationic dyes, the particles containing Ti and Si turned out to be the best. The adsorption kinetics and equilibrium adsorption behavior of the adsorbate - adsorbent systems could be well described by pseudo-second-order kinetics and Langmuir isotherm model, respectively. Estimated thermodynamic parameters revealed the adsorption process is spontaneous, driven mainly by the electrostatic force between the cationic dye molecules and negative charge at nanoparticle surface. Highest dye adsorption capacity (162.96 mg MB/g) of the mixed oxide nanostructures containing Ti and Si is associated to their high specific surface area, and the presence of surface Si-O(δ-) groups, in addition to the hydroxyl groups of amorphous titania. Mixed oxide nanoparticles containing 75% Ti and 25% Si seen to be the most efficient adsorbents for removing cationic dye molecules from wastewater. PMID:27529381

  18. Synthesis of ultrabright nanoporous fluorescent silica discoids using an inorganic silica precursor

    NASA Astrophysics Data System (ADS)

    Volkov, Dmytro O.; Cho, Eun-Bum; Sokolov, Igor

    2011-05-01

    The templated sol-gel synthesis of ultrabright fluorescent nanoporous silica particles based on the use of organic silica sources has previously been reported. The use of organosilanes as the main silica precursors has a number of issues, in particular, the low robustness of the synthesis due to instability of the organic silica source. Here we report on a novel synthesis of ultrabright fluorescent nanoporous silica discoids (a specific shape in-between the sphere and disk) of 3.1 +/- 0.7 microns in size, which were prepared using a stable inorganic sodium silicate silica source. Organic fluorescent dye Rhodamine 6G (R6G) was physically (non-covalently) entrapped inside cylindrical nanochannels of ~4-5 nm in diameter. In contrast to the synthesis with organic silica precursors, the obtained particles showed an excessive leakage of dye. To prevent this leakage, we modified the synthesis by adding a small amount of a secondary silica source. The synthesized particles show virtually no leakage, high photostability, and a brightness equivalent to the fluorescence of up to 7 × 107 free R6G molecules. This is about 7 times higher than the fluorescent brightness of particles of the same size made of CdSe/ZnS quantum dots, and 420 times higher than the brightness of the same volume of aqueous solution of free R6G dye.

  19. Functionalized nanoparticles for measurement of biomarkers using a SERS nanochannel platform

    NASA Astrophysics Data System (ADS)

    Benford, Melodie; Wang, Miao; Kameoka, Jun; Good, Theresa; Cote, Gerard

    2010-02-01

    The overall goal of this research is to develop a new point-of-care system for early detection and characterization of cardiac markers to aid in diagnosis of acute coronary syndrome. The envisioned final technology platform incorporates functionalized gold colloidal nanoparticles trapped at the entrance to a nanofluidic device providing a robust means for analyte detection at trace levels using surface enhanced Raman spectroscopy (SERS). To discriminate a specific biomarker, we designed an assay format analogous to a competitive ELISA. Notably, the biomarker would be captured by an antibody and in turn displace a peptide fragment, containing the binding epitope of the antibody labeled with a Raman reporter molecule that would not interfere with blood serum proteins. To demonstrate the feasibility of this approach, we used C-reactive protein (CRP) as a surrogate biomarker. We functionalized agarose beads with anti-CRP that were placed outside the nanochannel, then added either Rhodamine-6-G (R6G) labeled-CRP and gold (as a surrogate of a sample without analyte present), or R6G labeled CRP, gold, and unlabeled CRP (as a surrogate of a sample with analyte present). Analyzing the spectra we see an increase in peak intensity in the presence of analyte at characteristic peaks for R6G specifically, 1284 and1567 cm- 1. Further, our results illustrate the reproducibility of the Raman spectra collected for R6G-labeled CRP in the nanochannel. Overall, we believe that this method will provide the advantage of sensitivity and narrow line widths characteristic of SERS as well as the specificity toward the biomarker of interest.

  20. Physics of Molecules

    NASA Astrophysics Data System (ADS)

    Williams, D.; Murdin, P.

    2000-11-01

    Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

  1. Surface modified single molecules free-diffusion evidenced by fluorescence correlation spectroscopy.

    PubMed

    Boutin, Céline; Jaffiol, Rodolphe; Plain, Jérôme; Royer, Pascal

    2008-11-01

    We report on the free diffusion of single molecule near an interface studied using fluorescence correlation spectroscopy. In particular, we show that the chemical nature of the substrate may modify the free diffusion of a widely used molecule (rhodamine 6G), thus inducing unexpected effects in fluorescence correlation spectroscopy measurements. Our results show a strong influence, up to a few micrometer from the interface, of the surface polarity. This effect is assessed through the relative weight of the two dimensions diffusion process observed close to the surface. Our results are discussed in terms of competition between surface-solvent, solvent-molecule and molecule-surface specific interactions.

  2. Laser-induced fluorescence of flowing samples as an approach to single-molecule detection in liquids

    SciTech Connect

    Dovichi, N.J.; Martin, J.C.; Jett, J.H.; Trkula, M.; Keller, R.A.

    1984-03-01

    A flow cytometer system was used to detect aqueous rhodamine 6G by laser-induced fluorescence. Best results were obtained with careful spectral and spatial filtering. At the detection limit, the probability of a rhodamine 6G molecule being present in the detector's probed volume of 11 pL is about 0.6 . With a flow rate of 0.42 ..mu..L/s, a detection limit of 8.9 x 10/sup -14/ M was obtained for a 1-s time constant. At the detection limit, 18 ag or 22,000 molecules of rhodamine 6G flowed through the probed volume during the signal integration period. Signal linearity extends over greater than 5 orders of magnitude limited only by saturation of the detection electronics at high concentration. The results presented here allow a projection to single-molecule detection with reasonable improvements to the apparatus. 25 references, 5 figures, 7 tables.

  3. Computational design and fabrication of core-shell magnetic molecularly imprinted polymer for dispersive micro-solid-phase extraction coupled with high-performance liquid chromatography for the determination of rhodamine 6G.

    PubMed

    Xie, Jin; Xie, Jie; Deng, Jian; Fang, Xiangfang; Zhao, Haiqing; Qian, Duo; Wang, Hongjuan

    2016-06-01

    A novel core-shell magnetic nano-adsorbent with surface molecularly imprinted polymer coating was fabricated and then applied to dispersive micro-solid-phase extraction followed by determination of rhodamine 6G using high-performance liquid chromatography. The molecularly imprinted polymer coating was prepared by copolymerization of dopamine and m-aminophenylboronic acid (functional monomers), in the presence of rhodamine 6G (template). The selection of the suitable functional monomers was based on the interaction between different monomers and the template using the density functional theory. The ratios of the monomers to template were further optimized by an OA9 (3(4) ) orthogonal array design. The binding performances of the adsorbent were evaluated by static, kinetic, and selective adsorption experiments. The results reveal that the adsorbent possesses remarkable affinity and binding specificity for rhodamine 6G because of the enhanced Lewis acid-base interaction between the B(Ш) embedded in the imprinted cavities and the template. The nano-adsorbent was successfully applied to dispersive micro-solid-phase extraction coupled to high-performance liquid chromatography for the trace determination of rhodamine 6G in samples with a detection limit of 2.7 nmol/L. Spiked recoveries ranged from 93.0-99.1, 89.5-92.7, and 86.9-105% in river water, matrimony vine and paprika samples, respectively, with relative standard deviations of less than 4.3%. PMID:27120290

  4. Fluorescence detection of single molecules using pulsed near-field optical excitation and time correlated photon counting

    SciTech Connect

    Ambrose, W.P.; Goodwin, P.M.; Martin, J.C.; Keller, R.A.

    1994-03-01

    Pulsed excitation, time correlated single photon counting and time gated detection are used in near-field optical microscopy to enhance fluorescence images and measure the fluorescence lifetimes of single molecules of Rhodamine 6G on silica surfaces. Time gated detection is used to reject prompt scattered background and to improve the image signal to noise ratio. The excited state lifetime of a single Rhodamine 6G molecule is found to depend on the position of the near-field probe. We attribute the lifetime variations to spontaneous emission rate alterations by the fluorescence reflected from and quenching by the aluminum coated probe.

  5. [Endothelial cell adhesion molecules].

    PubMed

    Ivanov, A N; Norkin, I A; Puchin'ian, D M; Shirokov, V Iu; Zhdanova, O Iu

    2014-01-01

    The review presents current data concerning the functional role of endothelial cell adhesion molecules belonging to different structural families: integrins, selectins, cadherins, and the immunoglobulin super-family. In this manuscript the regulatory mechanisms and factors of adhesion molecules expression and distribution on the surface of endothelial cells are discussed. The data presented reveal the importance of adhesion molecules in the regulation of structural and functional state of endothelial cells in normal conditions and in pathology. Particular attention is paid to the importance of these molecules in the processes of physiological and pathological angiogenesis, regulation of permeability of the endothelial barrier and cell transmigration.

  6. Alterations of single molecule fluorescence lifetimes in near-field optical microscopy

    SciTech Connect

    Ambrose, W.P.; Goodwin, P.M.; Keller, R.A.; Martin, J.C. )

    1994-07-15

    Fluorescence lifetimes of single Rhodamine 6G molecules on silica surfaces were measured with pulsed laser excitation, time-correlated single photon counting, and near-field scanning optical microscopy (NSOM). The fluorescence lifetime varies with the position of a molecule relative to a near-field probe. Qualitative features of lifetime decreases are consistent with molecular excited state quenching effects near metal surfaces. The technique of NSOM provides a means of altering the environment of a single fluorescent molecule and its decay kinetics in a repeatable fashion.

  7. Molecules between the Stars.

    ERIC Educational Resources Information Center

    Verschuur, Gerrit L.

    1987-01-01

    Provides a listing of molecules discovered to date in the vast interstellar clouds of dust and gas. Emphasizes the recent discoveries of organic molecules. Discusses molecular spectral lines, MASERs (microwave amplification by stimulated emission of radiation), molecular clouds, and star birth. (TW)

  8. Enzymatic DNA molecules

    NASA Technical Reports Server (NTRS)

    Joyce, Gerald F. (Inventor); Breaker, Ronald R. (Inventor)

    1998-01-01

    The present invention discloses deoxyribonucleic acid enzymes--catalytic or enzymatic DNA molecules--capable of cleaving nucleic acid sequences or molecules, particularly RNA, in a site-specific manner, as well as compositions including same. Methods of making and using the disclosed enzymes and compositions are also disclosed.

  9. The Antarctica component of postglacial rebound model ICE-6G_C (VM5a) based on GPS positioning, exposure age dating of ice thicknesses, and relative sea level histories

    NASA Astrophysics Data System (ADS)

    Argus, Donald F.; Peltier, W. R.; Drummond, R.; Moore, Angelyn W.

    2014-07-01

    A new model of the deglaciation history of Antarctica over the past 25 kyr has been developed, which we refer to herein as ICE-6G_C (VM5a). This revision of its predecessor ICE-5G (VM2) has been constrained to fit all available geological and geodetic observations, consisting of: (1) the present day uplift rates at 42 sites estimated from GPS measurements, (2) ice thickness change at 62 locations estimated from exposure-age dating, (3) Holocene relative sea level histories from 12 locations estimated on the basis of radiocarbon dating and (4) age of the onset of marine sedimentation at nine locations along the Antarctic shelf also estimated on the basis of 14C dating. Our new model fits the totality of these data well. An additional nine GPS-determined site velocities are also estimated for locations known to be influenced by modern ice loss from the Pine Island Bay and Northern Antarctic Peninsula regions. At the 42 locations not influenced by modern ice loss, the quality of the fit of postglacial rebound model ICE-6G_C (VM5A) is characterized by a weighted root mean square residual of 0.9 mm yr-1. The Southern Antarctic Peninsula is inferred to be rising at 2 mm yr-1, requiring there to be less Holocene ice loss there than in the prior model ICE-5G (VM2). The East Antarctica coast is rising at approximately 1 mm yr-1, requiring ice loss from this region to have been small since Last Glacial Maximum. The Ellsworth Mountains, at the base of the Antarctic Peninsula, are inferred to be rising at 5-8 mm yr-1, indicating large ice loss from this area during deglaciation that is poorly sampled by geological data. Horizontal deformation of the Antarctic Plate is minor with two exceptions. First, O'Higgins, at the tip of the Antarctic Peninsula, is moving southeast at a significant 2 mm yr-1 relative to the Antarctic Plate. Secondly, the margins of the Ronne and Ross Ice Shelves are moving horizontally away from the shelf centres at an approximate rate of 0.8 mm yr-1, in

  10. Optical devices based on dye-coated superconductor junctions: An example of a composite molecule-superconductor device

    SciTech Connect

    Zhao, J.; Jurbergs, D.; Yamazi, B.; McDevitt, J.T.

    1992-03-25

    High-temperature superconductors provide new opportunities as materials used in the construction of hybrid molecule-superconductor components. Here, the authors describe fabrication methods for and operation of optical sensors based on molecular dye-coated superconductor junctions. Devices prepared from yttrium barium cuprates and using octaethylporphyrin, phthalocyanine, and rhodamine 6G as dyes have been prepared. 9 refs., 1 fig.

  11. Metamaterial-enhanced vibrational absorption spectroscopy for the detection of protein molecules

    NASA Astrophysics Data System (ADS)

    Bui, Tung S.; Dao, Thang D.; Dang, Luu H.; Vu, Lam D.; Ohi, Akihiko; Nabatame, Toshihide; Lee, Youngpak; Nagao, Tadaaki; Hoang, Chung V.

    2016-08-01

    From visible to mid-infrared frequencies, molecular sensing has been a major successful application of plasmonics because of the enormous enhancement of the surface electromagnetic nearfield associated with the induced collective motion of surface free carriers excited by the probe light. However, in the lower-energy terahertz (THz) region, sensing by detecting molecular vibrations is still challenging because of low sensitivity, complicated spectral features, and relatively little accumulated knowledge of molecules. Here, we report the use of a micron-scale thin-slab metamaterial (MM) architecture, which functions as an amplifier for enhancing the absorption signal of the THz vibration of an ultrathin adsorbed layer of large organic molecules. We examined bovine serum albumin (BSA) as a prototype large protein molecule and Rhodamine 6G (Rh6G) and 3,3‧-diethylthiatricarbocyanine iodide (DTTCI) as examples of small molecules. Among them, our MM significantly magnified only the signal strength of bulky BSA. On the other hand, DTTCI and Rh6G are inactive, as they lack low-frequency vibrational modes in this frequency region. The results obtained here clearly demonstrate the promise of MM-enhanced absorption spectroscopy in the THz region for detection and structural monitoring of large biomolecules such as proteins or pathogenic enzymes.

  12. Metamaterial-enhanced vibrational absorption spectroscopy for the detection of protein molecules.

    PubMed

    Bui, Tung S; Dao, Thang D; Dang, Luu H; Vu, Lam D; Ohi, Akihiko; Nabatame, Toshihide; Lee, YoungPak; Nagao, Tadaaki; Hoang, Chung V

    2016-01-01

    From visible to mid-infrared frequencies, molecular sensing has been a major successful application of plasmonics because of the enormous enhancement of the surface electromagnetic nearfield associated with the induced collective motion of surface free carriers excited by the probe light. However, in the lower-energy terahertz (THz) region, sensing by detecting molecular vibrations is still challenging because of low sensitivity, complicated spectral features, and relatively little accumulated knowledge of molecules. Here, we report the use of a micron-scale thin-slab metamaterial (MM) architecture, which functions as an amplifier for enhancing the absorption signal of the THz vibration of an ultrathin adsorbed layer of large organic molecules. We examined bovine serum albumin (BSA) as a prototype large protein molecule and Rhodamine 6G (Rh6G) and 3,3'-diethylthiatricarbocyanine iodide (DTTCI) as examples of small molecules. Among them, our MM significantly magnified only the signal strength of bulky BSA. On the other hand, DTTCI and Rh6G are inactive, as they lack low-frequency vibrational modes in this frequency region. The results obtained here clearly demonstrate the promise of MM-enhanced absorption spectroscopy in the THz region for detection and structural monitoring of large biomolecules such as proteins or pathogenic enzymes. PMID:27555217

  13. Metamaterial-enhanced vibrational absorption spectroscopy for the detection of protein molecules

    PubMed Central

    Bui, Tung S.; Dao, Thang D.; Dang, Luu H.; Vu, Lam D.; Ohi, Akihiko; Nabatame, Toshihide; Lee, YoungPak; Nagao, Tadaaki; Hoang, Chung V.

    2016-01-01

    From visible to mid-infrared frequencies, molecular sensing has been a major successful application of plasmonics because of the enormous enhancement of the surface electromagnetic nearfield associated with the induced collective motion of surface free carriers excited by the probe light. However, in the lower-energy terahertz (THz) region, sensing by detecting molecular vibrations is still challenging because of low sensitivity, complicated spectral features, and relatively little accumulated knowledge of molecules. Here, we report the use of a micron-scale thin-slab metamaterial (MM) architecture, which functions as an amplifier for enhancing the absorption signal of the THz vibration of an ultrathin adsorbed layer of large organic molecules. We examined bovine serum albumin (BSA) as a prototype large protein molecule and Rhodamine 6G (Rh6G) and 3,3′-diethylthiatricarbocyanine iodide (DTTCI) as examples of small molecules. Among them, our MM significantly magnified only the signal strength of bulky BSA. On the other hand, DTTCI and Rh6G are inactive, as they lack low-frequency vibrational modes in this frequency region. The results obtained here clearly demonstrate the promise of MM-enhanced absorption spectroscopy in the THz region for detection and structural monitoring of large biomolecules such as proteins or pathogenic enzymes. PMID:27555217

  14. Liposomal nanoformulations of rhodamine for targeted photodynamic inactivation of multidrug resistant gram negative bacteria in sewage treatment plant.

    PubMed

    Vimaladevi, Mohan; Divya, Kurunchi Chellapathi; Girigoswami, Agnishwar

    2016-09-01

    The antimicrobial photodynamic therapy is an alternative method for killing bacterial cells in view of the rising problem of antibiotic resistance microorganisms. The present study examined the effect of a water soluble photosensitizer, Rhodamine 6G (R6G) in stealth liposomes on multidrug resistant Pseudomonas aeruginosa in the presence of visible light. Liposomes were prepared with cholesterol and phospholipids that extracted from hen eggs in a cost effective way and characterized by light microscopy, particle size analyzer, electron microscopy, steady state spectrophotometry and spectrofluorometry. The photoefficacies of R6G in polymer encapsulated liposomes and positively charged liposomes are much higher compared to the free R6G (R6G in water) in terms of singlet oxygen quantum yield. This high potential of producing more reactive oxygen species (ROS) by liposomal nanoformulated R6G leads to efficient photodynamic inactivation of multidrug resistant gram negative bacteria in waste water. Though the singlet oxygen quantum yield of polymer coated liposomal R6G was higher than the cationic liposomal formulation, a faster decrease in bacterial survival was observed for positively charged liposomal R6G treated bacteria due to electrostatic charge interactions. Therefore, it can be concluded that the positively charged liposomal nanoformulations of laser dyes are efficient for photodynamic inactivation of multiple drug resistant gram negative microorganisms. PMID:27371913

  15. Linking ultracold polar molecules.

    PubMed

    Avdeenkov, A V; Bohn, John L

    2003-01-31

    We predict that pairs of polar molecules can be weakly bound together in an ultracold environment, provided that a dc electric field is present. The field that links the molecules together also strongly influences the basic properties of the resulting dimer, such as its binding energy and predissociation lifetime. Because of their long-range character, these dimers will be useful in disentangling cold collision dynamics of polar molecules. As an example, we estimate the microwave photoassociation yield for OH-OH cold collisions.

  16. Interlocked molecules: Aqueous assembly

    NASA Astrophysics Data System (ADS)

    Bai, Linyi; Zhao, Yanli

    2015-12-01

    The quantitative self-assembly of mechanically interlocked molecules in water, instead of organic solvents, opens up the possibility of such systems being used in a biological context where their functions can be interfaced with biomolecular systems.

  17. Single-Molecule Enzymology

    SciTech Connect

    Xie, Xiaoliang; Lu, H PETER.

    1999-06-04

    Viewing a movie of an enzyme molecule made from molecular dynamics (MD) simulation, we see incredible details of molecular motions, be it a change of the conformation or the action of a chemical reaction.

  18. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  19. Anti-CD155 and anti-CD112 monoclonal antibodies conjugated to a fluorescent mesoporous silica nanosensor encapsulating rhodamine 6G and fluorescein for sensitive detection of liver cancer cells.

    PubMed

    Tao, Liang; Song, Chaojun; Huo, Chenyang; Sun, Yuanjie; Zhang, Chunmei; Li, Xiaohua; Yu, Shaojuan; Sun, Mingyu; Jin, Boquan; Zhang, Zhujun; Yang, Kun

    2016-08-01

    A novel method for sensitive detection of liver cancer cells using anti-CD155 and anti-CD112 monoclonal antibodies conjugated to ultrabright fluorescent mesoporous silica nanoparticles (FMSNs) encapsulating Rhodamine 6G and fluorescein was developed. The diameter of the obtained nanoparticles was 90 nm, and the quantum yield was 69%. Because the emission of fluorescein has a high degree of overlap with the excitation of Rhodamine 6G, and these two dyes were sufficiently close to each other on the nanoparticles, fluorescence resonance energy transfer can occur between these two dyes. This transfer not only maintains the original feature of the nanochannels and the skeletal network of the silica weakening the inner filtering of the dye, but also makes the excitation peak of the nanoparticles wider and increases the useful load amount of the dye. Because the wider Stokes shifts weaken the interference of excitation, the detection sensitivity is enhanced at the same time. The NaIO4 oxidation method does not use a cross-linker but rather uses covalent immobilization of the monoclonal antibodies on the FMSNs. This method can maintain the activity of the monoclonal antibodies more easily than the glutaraldehyde method. These advantages ensure that the nanosensor has high sensitivity and specificity for detecting liver cancer SMMC-7721 and HHCC cells. The in vivo imaging experiment also ensured that the biosensor can target tumor tissue in mice. PMID:27301350

  20. Photochemistry of interstellar molecules

    NASA Technical Reports Server (NTRS)

    Stief, L. J.

    1971-01-01

    The photochemistry of two diatomic and eight polyatomic molecules is discussed quantitatively. For an interstellar molecule, the lifetime against photodecomposition depends upon the absorption cross section, the quantum yield or probability of dissociation following photon absorption, and the interstellar radiation field. The constant energy density of Habing is used for the unobserved regions of interstellar radiation field, and the field in obscuring clouds is estimated by combining the constant flux with the observed interstellar extinction curve covering the visible and ultraviolet regions. Lifetimes against photodecomposition in the unobscured regions and as a function of increasing optical thickness in obscuring clouds are calculated for the ten species. The results show that, except for CO, all the molecules have comparable lifetimes of less than one hundred years. Thus they can exist only in dense clouds and can never have been exposed to the unobscured radiation. The calculations further show that the lifetimes in clouds of moderate opacity are of the order of one million years.

  1. MOLECULES IN {eta} CARINAE

    SciTech Connect

    Loinard, Laurent; Menten, Karl M.; Guesten, Rolf; Zapata, Luis A.; Rodriguez, Luis F.

    2012-04-10

    We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  2. Atomic branching in molecules

    NASA Astrophysics Data System (ADS)

    Estrada, Ernesto; Rodríguez-Velázquez, Juan A.; Randić, Milan

    A graph theoretic measure of extended atomic branching is defined that accounts for the effects of all atoms in the molecule, giving higher weight to the nearest neighbors. It is based on the counting of all substructures in which an atom takes part in a molecule. We prove a theorem that permits the exact calculation of this measure based on the eigenvalues and eigenvectors of the adjacency matrix of the graph representing a molecule. The definition of this measure within the context of the Hückel molecular orbital (HMO) and its calculation for benzenoid hydrocarbons are also studied. We show that the extended atomic branching can be defined using any real symmetric matrix, as well as any Hermitian (self-adjoint) matrix, which permits its calculation in topological, geometrical, and quantum chemical contexts.

  3. 5-Methyl Salicylic Acid-Induced Thermo Responsive Reversible Transition in Surface Active Ionic Liquid Assemblies: A Spectroscopic Approach.

    PubMed

    Roy, Arpita; Dutta, Rupam; Banerjee, Pavel; Kundu, Sangita; Sarkar, Nilmoni

    2016-07-19

    This article describes the formation of stable unilamellar vesicles involving surface active ionic liquid (SAIL), 1-hexadecyl-3-methylimidazolium chloride (C16mimCl), and 5-methyl salicylic acid (5mS). Turbidity, dynamic light scattering (DLS), transmission electron microscopy (TEM), and viscosity measurements suggest that C16mimCl containing micellar aggregates are transformed to elongated micelle and finally into vesicular aggregates with the addition of 5mS. Besides, we have also investigated the photophysical aspects of a hydrophobic (coumarin 153, C153) and a hydrophilic molecule (rhodamine 6G (R6G) perchlorate) during 5mS-induced micelle to vesicle transition. The rotational motion of C153 becomes slower, whereas faster motion is observed for R6G during micelle to vesicle transition. Moreover, the fluorescence correlation spectroscopy (FCS) measurements suggest that the translational diffusion of hydrophobic probe becomes slower in C16mimCl-5mS aggregates in comparison to C16mimCl micelle. However, a reverse trend in translational diffusion motion of hydrophilic molecule has been observed in C16mimCl-5mS aggregates. Moreover, we have also found that the C16mimCl-5mS containing vesicles are transformed into micelles upon enhanced temperature, and it is further confirmed by turbidity, DLS measurements that this transition is a reversible one. Finally, temperature-induced rotational motion of C153 and R6G has been monitored in C16mimCl-5mS aggregates to get a complete scenario regarding the temperature-induced vesicle to micelle transition. PMID:27345738

  4. Analysis of the ICE-6G (VM5a) global GIA model performance with respect to geological inferences of relative sea-level history: from Barbados to the US East Coast

    NASA Astrophysics Data System (ADS)

    Roy, K.; Peltier, W. R.

    2013-12-01

    Models of the glacial isostatic adjustment process require two fundamental inputs: a history of ice-sheet loading and a model of the radial variation of mantle viscosity. These models, which are dominated by the influence of the Late Pleistocene cycle of glaciation and deglaciation, may be tested and refined by comparing relative sea-level history predictions to geological inferences based upon appropriate sea level indicators. Datasets of high-quality relative sea-level history reconstructions are available for many globally distributed regions and were crucial in the development of the existing spherically symmetric visco-elastic models of the internal structure of Earth's mantle. These reconstructions have also proven to be essential in the development of ice sheet histories for the Late Quaternary, such as the most recent ICE-6G(VM5a) model. This latest model is a refinement of the ICE-5G(VM2) structure, which has been made possible by the increased availability of accurate space geodetic constraints from previously ice-covered regions and from peripheral regions dominated by the process of forebulge collapse, in particular in the continental United States. A geologically derived sea level record of particular importance in the development of these models has been the coral based record from the island of Barbados in the Caribbean Sea, which has provided, once corrected for tectonics, a very accurate estimate of the globally averaged ice equivalent (eustatic) history of sea level change from the Last Glacial Maximum (LGM) onwards. However, a recent analysis by Austermann et al. (2013, Nature Geoscience) has led these authors to suggest an alternative interpretation that centers on the notion that a large amount of North American ice might be missing from the ICE-5G (VM2) model at LGM. In this paper, we demonstrate this alternative interpretation to be incorrect and thereby reinforce the original interpretation of the tectonics corrected record from Barbados as

  5. Single Molecule Manipulation

    NASA Astrophysics Data System (ADS)

    Kiang, Ching-Hwa

    2011-10-01

    Single-molecule manipulation studies open a door for a close-up investigation of complex biological interactions at the molecular level. In these studies, single biomolecules are pulled while their force response is being monitored. The process is often nonequilibrium, and interpretation of the results has been challenging. We used the atomic force microscope to pull proteins and DNA, and determined the equilibrium properties of the molecules using the recently derived nonequilibrium work theorem. I will present applications of the technique in areas ranging from fundamental biological problems such as DNA mechanics, to complex medical processes such as the mechanical activation of von Willebrand Factor, a key protein in blood coagulation.

  6. Plasmonic nanostructures: artificial molecules.

    PubMed

    Wang, Hui; Brandl, Daniel W; Nordlander, Peter; Halas, Naomi J

    2007-01-01

    This Account describes a new paradigm for the relationship between the geometry of metallic nanostructures and their optical properties. While the interaction of light with metallic nanoparticles is determined by their collective electronic or plasmon response, a compelling analogy exists between plasmon resonances of metallic nanoparticles and wave functions of simple atoms and molecules. Based on this insight, an entire family of plasmonic nanostructures, artificial molecules, has been developed whose optical properties can be understood within this picture: nanoparticles (nanoshells, nanoeggs, nanomatryushkas, nanorice), multi-nanoparticle assemblies (dimers, trimers, quadrumers), and a nanoparticle-over-metallic film, an electromagnetic analog of the spinless Anderson model. PMID:17226945

  7. Enhanced light-matter interactions in graphene-covered gold nanovoid arrays.

    PubMed

    Zhu, Xiaolong; Shi, Lei; Schmidt, Michael S; Boisen, Anja; Hansen, Ole; Zi, Jian; Xiao, Sanshui; Mortensen, N Asger

    2013-10-01

    The combination of graphene with noble-metal nanostructures is currently being explored for strong light-graphene interactions enhanced by plasmons. We introduce a novel hybrid graphene-metal system for studying light-matter interactions with gold-void nanostructures exhibiting resonances in the visible range. Enhanced coupling of graphene to the plasmon modes of the nanovoid arrays results in significant frequency shifts of the underlying plasmon resonances, enabling 30% enhanced absolute light absorption by adding a monolayer graphene and up to 700-fold enhancement of the Raman response of the graphene. These new perspectives enable us to verify the presence of graphene on gold-void arrays, and the enhancement even allows us to accurately quantify the number of layers. Experimental observations are further supported by numerical simulations and perturbation-theory analysis. The graphene gold-void platform is beneficial for sensing of molecules and placing Rhodamine 6G (R6G) dye molecules on top of the graphene; we observe a strong enhancement of the R6G Raman fingerprints. These results pave the way toward advanced substrates for surface-enhanced Raman scattering (SERS) with potential for unambiguous single-molecule detection on the atomically well-defined layer of graphene. PMID:24010940

  8. Enhanced light-matter interactions in graphene-covered gold nanovoid arrays.

    PubMed

    Zhu, Xiaolong; Shi, Lei; Schmidt, Michael S; Boisen, Anja; Hansen, Ole; Zi, Jian; Xiao, Sanshui; Mortensen, N Asger

    2013-10-01

    The combination of graphene with noble-metal nanostructures is currently being explored for strong light-graphene interactions enhanced by plasmons. We introduce a novel hybrid graphene-metal system for studying light-matter interactions with gold-void nanostructures exhibiting resonances in the visible range. Enhanced coupling of graphene to the plasmon modes of the nanovoid arrays results in significant frequency shifts of the underlying plasmon resonances, enabling 30% enhanced absolute light absorption by adding a monolayer graphene and up to 700-fold enhancement of the Raman response of the graphene. These new perspectives enable us to verify the presence of graphene on gold-void arrays, and the enhancement even allows us to accurately quantify the number of layers. Experimental observations are further supported by numerical simulations and perturbation-theory analysis. The graphene gold-void platform is beneficial for sensing of molecules and placing Rhodamine 6G (R6G) dye molecules on top of the graphene; we observe a strong enhancement of the R6G Raman fingerprints. These results pave the way toward advanced substrates for surface-enhanced Raman scattering (SERS) with potential for unambiguous single-molecule detection on the atomically well-defined layer of graphene.

  9. Algebraic theory of molecules

    NASA Technical Reports Server (NTRS)

    Iachello, Franco

    1995-01-01

    An algebraic formulation of quantum mechanics is presented. In this formulation, operators of interest are expanded onto elements of an algebra, G. For bound state problems in nu dimensions the algebra G is taken to be U(nu + 1). Applications to the structure of molecules are presented.

  10. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

  11. Halley's polymeric organic molecules

    NASA Technical Reports Server (NTRS)

    Huebner, W. F.; Boice, D. C.; Korth, A.

    1989-01-01

    The detection of polymeric organic compounds in the mass spectrum of Comet Halley obtained with the Positive Ion Cluster Composition analyzer on Giotto are examined. It is found that, in addition to polyoxymethylene, other polymers and complex molecules may exist in the comet. It is suggested that polymerized hydrogen cyanide may be a source for the observed CN and NH2 jets.

  12. Mighty Molecule Models

    ERIC Educational Resources Information Center

    Brown, Tom; Rushton, Greg; Bencomo, Marie

    2008-01-01

    As part of the SMATHematics Project: The Wonder of Science, The Power of Mathematics--a collaborative partnership between Kennesaw State University and two local school districts, fifth graders had the opportunity to puzzle out chemical formulas of propane, methanol, and other important molecules. In addition, they explored properties that…

  13. OMG: Open Molecule Generator

    PubMed Central

    2012-01-01

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck. PMID:22985496

  14. OMG: Open Molecule Generator.

    PubMed

    Peironcely, Julio E; Rojas-Chertó, Miguel; Fichera, Davide; Reijmers, Theo; Coulier, Leon; Faulon, Jean-Loup; Hankemeier, Thomas

    2012-01-01

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck. PMID:22985496

  15. OMG: Open Molecule Generator.

    PubMed

    Peironcely, Julio E; Rojas-Chertó, Miguel; Fichera, Davide; Reijmers, Theo; Coulier, Leon; Faulon, Jean-Loup; Hankemeier, Thomas

    2012-09-17

    Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accept as additional input one or multiple non-overlapping prescribed substructures to drastically reduce the number of possible chemical structures. Being open source allows for customization and future extension of its functionality. OMG relies on a modified version of the Canonical Augmentation Path, which grows intermediate chemical structures by adding bonds and checks that at each step only unique molecules are produced. In order to benchmark the tool, we generated chemical structures for the elemental formulas and substructures of different metabolites and compared the results with a commercially available structure generator. The results obtained, i.e. the number of molecules generated, were identical for elemental compositions having only C, O and H. For elemental compositions containing C, O, H, N, P and S, OMG produces all the chemically valid molecules while the other generator produces more, yet chemically impossible, molecules. The chemical completeness of the OMG results comes at the expense of being slower than the commercial generator. In addition to being open source, OMG clearly showed the added value of constraining the solution space by using multiple prescribed substructures as input. We expect this structure generator to be useful in many fields, but to be especially of great importance for metabolomics, where identifying unknown metabolites is still a major bottleneck.

  16. Real-time observation of single-molecule fluorescence in microdroplet streams

    SciTech Connect

    Barnes, M.D.; Lermer, N.; Kung, C.; Whitten, W.B.; Ramsey, J.M.; Hill, S.C.

    1997-08-01

    We report real-time observation of fluorescence bursts from individual Rhodamine 6G molecules in streams of microdroplets (peak signal-to-noise ratios, {approx}30) whose trajectories are constrained with a linear electric quadrupole. This approach offers a reasonable dynamic range in droplet size (3{endash}12{minus}{mu}m diameter) with {lt}1{percent} shot-to-shot size fluctuations and sensitivity comparable with that of droplet levitation techniques with at least 10{sup 3} higher analysis rates. Applications to the study of single-molecule microcavity effects and stimulated emission are discussed.

  17. Bacterial invasion reconstructed molecule by molecule

    SciTech Connect

    Werner, James H

    2009-01-01

    We propose to visualize the initial stages of bacterial infection of a human host cell with unmatched spatial and temporal resolution. This work will develop a new capability for the laboratory (super-resolution optical imaging), will test unresolved scientific hypotheses regarding host-pathogen interaction dynamics, and leverages state of the art 3D molecular tracking instrumentation developed recently by our group. There is much to be gained by applying new single molecule tools to the important and familiar problem of pathogen entry into a host cell. For example, conventional fluorescence microscopy has identified key host receptors, such as CD44 and {alpha}5{beta}1 integrin, that aggregate near the site of Salmonella typhimurium infection of human cells. However, due to the small size of the bacteria ({approx} 2 {micro}m) and the diffraction of the emitted light, one just sees a fluorescent 'blob' of host receptors that aggregate at the site of attachment, making it difficult to determine the exact number of receptors present or whether there is any particular spatial arrangement of the receptors that facilitates bacterial adhesion/entry. Using newly developed single molecule based super-resolution imaging methods, we will visualize how host receptors are directed to the site of pathogen adhesion and whether host receptors adopt a specific spatial arrangement for successful infection. Furthermore, we will employ our 3D molecular tracking methods to follow the injection of virulence proteins, or effectors, into the host cell by the pathogen Type III secretion system (TTSS). We expect these studies to provide mechanistic insights into the early events of pathogen infection that have here-to-fore been technically beyond our reach. Our Research Goals are: Goal 1--Construct a super-resolution fluorescence microscope and use this new capability to image the spatial distribution of different host receptors (e.g. CD44, as {alpha}5{beta}1 integrin) at the point of

  18. Imaging single fluorescent molecules at the interface of an optical fiber probe by evanescent wave excitation.

    PubMed

    Fang, X; Tan, W

    1999-08-01

    We have developed a new fluorescent method for single-molecule detection (SMD) and imaging using an optical fiber probe. The fluorophores were excited by the evanescent wave field produced on the core surface of the optical fiber. This was achieved by exposing a section of the core of the optical fiber probe to the fluorophore solution. Both cylindrical and square optical fiber probes were used for SMD. The fluorescent signals were detected by an intensified charge-coupled device. Single rhodamine 6G molecules have been detected. The number of rhodamine 6G molecules imaged by the optical fiber probe showed an excellent linear relationship with the concentrations of the fluorophores. The SMD scheme was also applied to the imaging of biomolecules, such as molecular beacon DNA molecules, labeled with tetramethylrhodamine. Our results have shown that using an optical fiber is an easy yet effective approach to SMD. It represents a simpler fluorescent method for the detection of single-molecules in solution and at an interface.

  19. Electro-optical characterization of nanoGUMBOS

    NASA Astrophysics Data System (ADS)

    Sarkar, A.; Kanakamedala, K.; Rajathadripura, M. D.; Jagadish, N. N.; Magut, P. K. S.; de Rooy, S.; Das, S.; El-Zahab, B.; Warner, I. M.; Daniels-Race, T.

    2014-07-01

    Molecular electronics, where nanoscale organic species are utilized as active electronic components, offers a promising approach towards ultimate miniaturization and integration of hybrid electronic materials (HEMs) with traditional silicon based complementary metal oxide semiconductors (CMOS) technology. Toward this end, fundamental research studies to understand the electronic and optical properties of these molecules are of paramount importance. In this work, conductive probe atomic force microscopy (CP-AFM) and Raman spectroscopy have been performed on ionic liquid based unique organic nanoparticles derived from a Group of Uniform Materials Based on Organic Salts (GUMBOS). Aptly named as nanoGUMBOS, the material investigated in this report is Rhodamine6G tetraphenylborate ([R6G][TPB]) as has been synthesized by a room temperature facile metathesis reaction between Rhodamine 6G chloride (R6GCl) and sodium tetraphenylborate (NaTPB) followed by an ultrasonication-assisted, additive-free, re-precipitation reaction. To the best of our knowledge, the results reported herein are first-time evidence of electrical performance exhibited by [R6G][TPB] nanoGUMBOS. In conjunction with the supportive results of Raman spectra, the current-voltage ( I- V) characteristics obtained are indicative of the potential incorporation of this unique compound in hybrid electronics with respect to potential applications in optoelectronics and chemical sensing.

  20. Direct measurement of single-molecule dynamics in free solution

    SciTech Connect

    Yeung, E.S.; Xu, Xiao-Hong |

    1997-12-31

    Continuous monitoring of the solution dynamics of individual rhodamine-6G molecules and 30-base-ss-DNA tagged with rhodamine is achieved by total internal reflection fluorescence microscopy. A small observation depth is defined by exciting the molecules either through the evanescent wave at the quartz-liquid interface, or by using micron-size wires to form a thin layer of solution. A microscope thus affords diffraction-limited resolution of interconnected volume elements that are 13 aL, to 360 aL, respectively. An intensified CCD camera repeatedly records fluorescence from the same set of molecules to provide rate information on each as they diffuse and photobleach. With a special detection arrangement, time resolution down to 0.37 ms was achieved. The present technical limit is 10 ps for direct clocking of events. Statistical variations in molecular diffusion coefficients and in photobleaching rates are found. The average diffusion coefficients are smaller and the average photobleaching lifetimes are longer for the dye-DNA covalent complex compared to the molecule by itself.

  1. Cometary Parent Molecules

    NASA Astrophysics Data System (ADS)

    Feldman, Paul

    1990-12-01

    We propose to use HRS observations of a suitable target-of-opportunity comet to study two outstanding problems related to the composition of the volatile component of the cometary nucleus. These problems concern two species, CO and S2, which have been observed in the cometary coma and identified as "parent" molecules sublimating directly from the nucleus. Both of these molecules have their principal fluorescent emissions in the vaccuum ultraviolet. The high spectral resolution will allow the determination of the rotational temperature of CO, which is diagnostic of the source temperature and the excitation mechanism of the observed emission. The determination of the abundance of both CO and S2 in the primarily water ice of the nucleus can serve to constrain current models of comet formation in the primordial solar nebula.

  2. Photonic Molecule Lasers Revisited

    NASA Astrophysics Data System (ADS)

    Gagnon, Denis; Dumont, Joey; Déziel, Jean-Luc; Dubé, Louis J.

    2014-05-01

    Photonic molecules (PMs) formed by coupling two or more optical resonators are ideal candidates for the fabrication of integrated microlasers, photonic molecule lasers. Whereas most calculations on PM lasers have been based on cold-cavity (passive) modes, i.e. quasi-bound states, a recently formulated steady-state ab initio laser theory (SALT) offers the possibility to take into account the spectral properties of the underlying gain transition, its position and linewidth, as well as incorporating an arbitrary pump profile. We will combine two theoretical approaches to characterize the lasing properties of PM lasers: for two-dimensional systems, the generalized Lorenz-Mie theory will obtain the resonant modes of the coupled molecules in an active medium described by SALT. Not only is then the theoretical description more complete, the use of an active medium provides additional parameters to control, engineer and harness the lasing properties of PM lasers for ultra-low threshold and directional single-mode emission. We will extend our recent study and present new results for a number of promising geometries. The authors acknowledge financial support from NSERC (Canada) and the CERC in Photonic Innovations of Y. Messaddeq.

  3. Direct measurement of single-molecule diffusion and photodecomposition in free solution

    SciTech Connect

    Xu, Xiao-Hong; Yeung, E.S.

    1997-02-21

    Continuous monitoring of submillisecond free-solution dynamics of individual rhodamine-6G molecules and 30-base single-stranded DNA tagged with rhodamine was achieved. Fluorescence images were recorded from the same set of isolated molecules excited either through the evanescent field at the quartz-liquid interface or as a thin layer of solution defined by micron-sized wires, giving diffraction-limited resolution of interconnected attoliter volume elements. The single-molecule diffusion coefficients were smaller and the unimolecular photodecomposition lifetimes were longer for the dye-DNA covalent complex as compared with those of the dye molecular itself. Unlike bulk studies, stochastic behavior was found for individual molecules of each type, and smaller diffusion coefficients were observed. 19 refs., 4 figs., 1 tab.

  4. Structures of BmrR-Drug Complexes Reveal a Rigid Multidrug Binding Pocket And Transcription Activation Through Tyrosine Expulsion

    SciTech Connect

    Newberry, K.J.; Huffman, J.L.; Miller, M.C.; Vazquez-Laslop, N.; Neyfakh, A.A.; Brennan, R.G.

    2009-05-22

    BmrR is a member of the MerR family and a multidrug binding transcription factor that up-regulates the expression of the bmr multidrug efflux transporter gene in response to myriad lipophilic cationic compounds. The structural mechanism by which BmrR binds these chemically and structurally different drugs and subsequently activates transcription is poorly understood. Here, we describe the crystal structures of BmrR bound to rhodamine 6G (R6G) or berberine (Ber) and cognate DNA. These structures reveal each drug stacks against multiple aromatic residues with their positive charges most proximal to the carboxylate group of Glu-253 and that, unlike other multidrug binding pockets, that of BmrR is rigid. Substitution of Glu-253 with either alanine (E253A) or glutamine (E253Q) results in unpredictable binding affinities for R6G, Ber, and tetraphenylphosphonium. Moreover, these drug binding studies reveal that the negative charge of Glu-253 is not important for high affinity binding to Ber and tetraphenylphosphonium but plays a more significant, but unpredictable, role in R6G binding. In vitro transcription data show that E253A and E253Q are constitutively active, and structures of the drug-free E253A-DNA and E253Q-DNA complexes support a transcription activation mechanism requiring the expulsion of Tyr-152 from the multidrug binding pocket. In sum, these data delineate the mechanism by which BmrR binds lipophilic, monovalent cationic compounds and suggest the importance of the redundant negative electrostatic nature of this rigid drug binding pocket that can be used to discriminate against molecules that are not substrates of the Bmr multidrug efflux pump.

  5. Performance-enhancing methods for Au film over nanosphere surface-enhanced Raman scattering substrate and melamine detection application.

    PubMed

    Wang, Jun Feng; Wu, Xue Zhong; Xiao, Rui; Dong, Pei Tao; Wang, Chao Guang

    2014-01-01

    A new high-performance surface-enhanced Raman scattering (SERS) substrate with extremely high SERS activity was produced. This SERS substrate combines the advantages of Au film over nanosphere (AuFON) substrate and Ag nanoparticles (AgNPs). A three order enhancement of SERS was observed when Rhodamine 6G (R6G) was used as a probe molecule to compare the SERS effects of the new substrate and commonly used AuFON substrate. These new SERS substrates can detect R6G down to 1 nM. The new substrate was also utilized to detect melamine, and the limit of detection (LOD) is 1 ppb. A linear relationship was also observed between the SERS intensity at Raman peak 682 cm(-1) and the logarithm of melamine concentrations ranging from 10 ppm to 1 ppb. This ultrasensitive SERS substrate is a promising tool for detecting trace chemical molecules because of its simple and effective fabrication procedure, high sensitivity and high reproducibility of the SERS effect.

  6. Silver coated gold nanocolloids entrapped in organized Langmuir-Blodgett Film of stearic acid: Potential evidence of a new SERS active substrate

    NASA Astrophysics Data System (ADS)

    Saha, Somsubhra; Ghosh, Manash; Dutta, Bipan; Chowdhury, Joydeep

    2016-01-01

    SERS active substrate containing silver coated gold (Au@Ag) nanocolloids entrapped in the Langmuir-Blodgett (LB) film matrix of stearic acid (SA) has been reported. The SERS efficacy of the as prepared substrate has been tested with trace concentrations of Rhodamine 6G (R6G) molecules. Enhancement factors ranging from 104-1013 orders of magnitude have been estimated for the characteristic vibrational signatures of R6G molecule. The colossal enhancement factors also signify the superiority of the as prepared substrate in comparison to Au@Ag nanocolloids. The optical responses and the morphological features of the substrates are estimated with aid of UV-vis absorption spectra and FESEM, AFM images respectively. Correlations between the surface morphologies, fractal dimensions and roughness features of the as prepared substrates are also drawn. The electric field distributions around the aggregated nanocolloids entrapped in the SA matrix have been envisaged with the aid of three dimensional finite difference time domain (3D-FDTD) simulations. Tuning the interparticle localized surface plasmon (LSP) coupling between the aggregated nanocolloids may be achieved by lifting the LB film of SA at different surface pressures.

  7. Watching single molecules dance

    NASA Astrophysics Data System (ADS)

    Mehta, Amit Dinesh

    Molecular motors convert chemical energy, from ATP hydrolysis or ion flow, into mechanical motion. A variety of increasingly precise mechanical probes have been developed to monitor and perturb these motors at the single molecule level. Several outstanding questions can be best approached at the single molecule level. These include: how far does a motor progress per energy quanta consumed? how does its reaction cycle respond to load? how many productive catalytic cycles can it undergo per diffusional encounter with its track? and what is the mechanical stiffness of a single molecule connection? A dual beam optical trap, in conjunction with in vitro ensemble motility assays, has been used to characterize two members of the myosin superfamily: muscle myosin II and chick brain myosin V. Both move the helical polymer actin, but myosin II acts in large ensembles to drive muscle contraction or cytokinesis, while myosin V acts in small numbers to transport vesicles. An optical trapping apparatus was rendered sufficiently precise to identify a myosin working stroke with 1nm or so, barring systematic errors such as those perhaps due to random protein orientations. This and other light microscopic motility assays were used to characterize myosin V: unlike myosin II this vesicle transport protein moves through many increments of travel while remaining strongly bound to a single actin filament. The step size, stall force, and travel distance of myosin V reveal a remarkably efficient motor capable of moving along a helical track for over a micrometer without significantly spiraling around it. Such properties are fully consistent with the putative role of an organelle transport motor, present in small numbers to maintain movement over long ranges relative to cellular size scales. The contrast between myosin II and myosin V resembles that between a human running on the moon and one walking on earth, where the former allows for faster motion when in larger ensembles but for less

  8. Molecules in crystals

    NASA Astrophysics Data System (ADS)

    Spackman, Mark A.

    2013-04-01

    Hirshfeld surface analysis has developed from the serendipitous discovery of a novel partitioning of the crystal electron density into discrete molecular fragments, to a suite of computational tools used widely for the identification, analysis and discussion of intermolecular interactions in molecular crystals. The relationship between the Hirshfeld surface and very early ideas on the internal structure of crystals is outlined, and applications of Hirshfeld surface analysis are presented for three molecules of historical importance in the development of modern x-ray crystallography: hexamethylbenzene, hexamethylenetetramine and diketopiperazine.

  9. Ultra-cold molecule production.

    SciTech Connect

    Ramirez-Serrano, Jamie; Chandler, David W.; Strecker, Kevin; Rahn, Larry A.

    2005-12-01

    The production of Ultra-cold molecules is a goal of many laboratories through out the world. Here we are pursuing a unique technique that utilizes the kinematics of atomic and molecular collisions to achieve the goal of producing substantial numbers of sub Kelvin molecules confined in a trap. Here a trap is defined as an apparatus that spatially localizes, in a known location in the laboratory, a sample of molecules whose temperature is below one degree absolute Kelvin. Further, the storage time for the molecules must be sufficient to measure and possibly further cool the molecules. We utilize a technique unique to Sandia to form cold molecules from near mass degenerate collisions between atoms and molecules. This report describes the progress we have made using this novel technique and the further progress towards trapping molecules we have cooled.

  10. Melatonin: a multitasking molecule.

    PubMed

    Reiter, Russel J; Tan, Dun-Xian; Fuentes-Broto, Lorena

    2010-01-01

    Melatonin (N-acetyl-5-methoxytryptamine) has revealed itself as an ubiquitously distributed and functionally diverse molecule. The mechanisms that control its synthesis within the pineal gland have been well characterized and the retinal and biological clock processes that modulate the circadian production of melatonin in the pineal gland are rapidly being unravelled. A feature that characterizes melatonin is the variety of mechanisms it employs to modulate the physiology and molecular biology of cells. While many of these actions are mediated by well-characterized, G-protein coupled melatonin receptors in cellular membranes, other actions of the indole seem to involve its interaction with orphan nuclear receptors and with molecules, for example calmodulin, in the cytosol. Additionally, by virtue of its ability to detoxify free radicals and related oxygen derivatives, melatonin influences the molecular physiology of cells via receptor-independent means. These uncommonly complex processes often make it difficult to determine specifically how melatonin functions to exert its obvious actions. What is apparent, however, is that the actions of melatonin contribute to improved cellular and organismal physiology. In view of this and its virtual absence of toxicity, melatonin may well find applications in both human and veterinary medicine.

  11. Plasticization of poly(vinylpyrrolidone) thin films under ambient humidity: insight from single-molecule tracer diffusion dynamics.

    PubMed

    Bhattacharya, Sukanya; Sharma, Dharmendar Kumar; Saurabh, Saumya; De, Suman; Sain, Anirban; Nandi, Amitabha; Chowdhury, Arindam

    2013-06-27

    Studies on diffusion dynamics of single molecules (SMs) have been useful in revealing inhomogeneity of polymer thin films near and above the glass-transition temperature (T(g)). However, despite several applications of polymer thin films where exposure to solvent (or vapor) is common, the effect of absorbed solvent molecules on local morphology and rigidity of polymer matrices is yet to be explored in detail. High-T(g) hydrophilic polymers such as poly(vinylpyrrolidone) (PVP) are used as pharmaceutical coatings for drug release in aqueous medium, as they readily absorb moisture, which results in effective lowering of the T(g) and thereby leads to plasticization. The effect of moisture absorption on swelling and softening of PVP thin films was investigated by visualizing the diffusion dynamics of rhodamine 6G (Rh6G) tracer molecules at various ambient relative humidities (RH). Wide-field epifluorescence microscopy, in conjunction with high-resolution SM tracking, was used to monitor the spatiotemporal evolution of individual tracers under varied moisture contents of the matrix. In the absence of atmospheric moisture, Rh6G molecules in dry PVP films are translationally inactive, suggestive of rigid local environments. Under low moisture contents (RH 30-50%), translational mobility remains arrested but rotational motion is augmented, indicating slight swelling of the polymer network which marks the onset of plasticization. The translational mobility of Rh6G was found to be triggered only at a threshold ambient RH, beyond which a large proportion of tracers exhibit extensive diffusion dynamics. Interestingly, SM tracking data at higher moisture contents of the film (RH ≥ 60%) reveal that the distributions of dynamic parameters (such as diffusivity) are remarkably broad, spanning several orders of magnitude. Furthermore, Rh6G molecules display a wide variety of translational motion even at a fixed ambient RH, clearly pointing out the extremely inhomogeneous

  12. Comparison of cardiovascular and biomechanical parameters of supine lower body negative pressure and upright lower body positive pressure to simulate activity in 1/6 G and 3/8 G

    PubMed Central

    Rosales-Velderrain, Armando; Ruckstuhl, Heidi; Stahn, Alexander C.; Hargens, Alan R.

    2013-01-01

    For future space exploration missions, it is important to determine the best method of simulating on Earth cardiovascular and biomechanical conditions for lunar and Martian gravities. For this purpose, we compared exercise performed within a lower body negative pressure (LBNP) and a lower body positive pressure (LBPP) chamber. Twelve subjects underwent a protocol of resting and walking (0.25 Froude) within supine LBNP and upright LBPP simulation. Each protocol was performed in simulated 1/6 G and 3/8 G. We assessed heart rate (HR), mean arterial blood pressure, oxygen consumption (V̇o2), normalized stride length, normalized vertical peak ground reaction force, duty factor, cadence, perceived exertion (Borg), and comfort of the subject. A mixed linear model was employed to determine effects of the simulation on the respective parameters. Furthermore, parameters were compared with predicted values for lunar and Martian gravities to determine the method that showed the best agreement. During walking, all cardiovascular and biomechanical parameters were unaffected by the simulation used for lunar and Martian gravities. During rest, HR and V̇o2 were lower in supine LBNP compared with upright LBPP. HR, V̇o2, and normalized vertical peak ground reaction force obtained with supine LBNP and upright LBPP showed good agreement with predicted values. Since supine LBNP and upright LBPP are lacking significant differences, we conclude that both simulations are suited to simulate the cardiovascular and biomechanical conditions during activity in lunar and Martian gravities. Operational characteristics and the intended application should be considered when choosing either supine LBNP or upright LBPP to simulate partial gravities on Earth. PMID:23640597

  13. Molecules Best Paper Award 2013.

    PubMed

    McPhee, Derek J

    2013-02-05

    Molecules has started to institute a "Best Paper" award to recognize the most outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published in Molecules. We are pleased to announce the second "Molecules Best Paper Award" for 2013.

  14. Functionalized mesoporous materials for adsorption and release of different drug molecules: A comparative study

    SciTech Connect

    Wang Gang; Otuonye, Amy N.; Blair, Elizabeth A.; Denton, Kelley; Tao Zhimin; Asefa, Tewodros

    2009-07-15

    The adsorption capacity and release properties of mesoporous materials for drug molecules can be improved by functionalizing their surfaces with judiciously chosen organic groups. Functionalized ordered mesoporous materials containing various types of organic groups via a co-condensation synthetic method from 15% organosilane and by post-grafting organosilanes onto a pre-made mesoporous silica were synthesized. Comparative studies of their adsorption and release properties for various model drug molecules were then conducted. Functional groups including 3-aminopropyl, 3-mercaptopropyl, vinyl, and secondary amine groups were used to functionalize the mesoporous materials while rhodamine 6G and ibuprofen were utilized to investigate the materials' relative adsorption and release properties. The self-assembly of the mesoporous materials was carried out in the presence of cetyltrimethylammonium bromide (CTAB) surfactant, which produced MCM-41 type materials with pore diameters of {approx}2.7-3.3 nm and moderate to high surface areas up to {approx}1000 m{sup 2}/g. The different functional groups introduced into the materials dictated their adsorption capacity and release properties. While mercaptopropyl and vinyl functionalized samples showed high adsorption capacity for rhodamine 6G, amine functionalized samples exhibited higher adsorption capacity for ibuprofen. While the diffusional release of ibuprofen was fitted on the Fickian diffusion model, the release of rhodamine 6G followed Super Case-II transport model. - Graphical abstract: The adsorption capacity and release properties of mesoporous materials for various drug molecules are tuned by functionalizing the surfaces of the materials with judiciously chosen organic groups. This work reports comparative studies of the adsorption and release properties of functionalized ordered mesoporous materials containing different hydrophobic and hydrophilic groups that are synthesized via a co-condensation and post

  15. Photophysics of Fluorescent Probes Under 1-10 GPa Shock Compression

    NASA Astrophysics Data System (ADS)

    Liu, Weilong; Christensen, James; Bassett, William; Dlott, Dana D.

    2015-06-01

    The use of fluorescent probes in shocked microstructured media can permit measurements of local pressures and temperatures with high time and space resolution. Here we focus on the use of a highly-emissive dye, rhodamine 6G (R6G). In order to understand the fundamental mechanisms of R6G photophysics under extreme conditions, we synchronized a femtosecond laser and streak camera with a laser-driven flyer plate shock compression system. We studied R6G emission lifetimes and spectra under shock conditions and under static high pressure when the dye was dissolved in poly-methylacryate (PMMA) or when the dye was encapsulated in silica microspheres, where R6G is superemissive. Under shock compression, the emission spectra of R6G redshifts. It is difficult to measure local pressures using the redshift, because one would have to spectrally resolve the emission from every spot in the shocked material. It would be much easier to measure the emission intensity at each location. We have found that the R6G emission intensity also changes in a shock, so it is useful to relate the intensity changes to local shock conditions. Our measurements show the intensity changes in a shock because the fluorescence lifetime drops from about 3.5 ns at ambient pressure to about 1 ns at 10 GPa. Present address: Department of Physics, Harbin Institute of Technology, Harbin, Heilongjiang 150001, China.

  16. Forces in molecules.

    PubMed

    Hernández-Trujillo, Jesús; Cortés-Guzmán, Fernando; Fang, De-Chai; Bader, Richard F W

    2007-01-01

    Chemistry is determined by the electrostatic forces acting within a collection of nuclei and electrons. The attraction of the nuclei for the electrons is the only attractive force in a molecule and is the force responsible for the bonding between atoms. This is the attractive force acting on the electrons in the Ehrenfest force and on the nuclei in the Feynman force, one that is countered by the repulsion between the electrons in the former and by the repulsion between the nuclei in the latter. The virial theorem relates these forces to the energy changes resulting from interactions between atoms. All bonding, as signified by the presence of a bond path, has a common origin in terms of the mechanics determined by the Ehrenfest, Feynman and virial theorems. This paper is concerned in particular with the mechanics of interaction encountered in what are classically described as 'nonbonded interactions'--are atoms that 'touch' bonded or repelling one another?

  17. Molecules in the Spotlight

    SciTech Connect

    Cryan, James

    2010-01-26

    SLAC has just unveiled the world's first X-ray laser, the LCLS. This machine produces pulses of X-rays that are ten billion times brighter than those from conventional sources. One of the goals of this machine is to make movies of chemical reactions, including reactions necessary for life and reactions that might power new energy technologies. This public lecture will show the first results from the LCLS. As a first target, we have chosen nitrogen gas, the main component of the air we breathe. Using the unprecedented power of the LCLS X-rays as a blasting torch, we have created new forms of this molecule and with unique electronic arrangements. Please share with us the first insights from this new technology.

  18. Forces in molecules.

    PubMed

    Hernández-Trujillo, Jesús; Cortés-Guzmán, Fernando; Fang, De-Chai; Bader, Richard F W

    2007-01-01

    Chemistry is determined by the electrostatic forces acting within a collection of nuclei and electrons. The attraction of the nuclei for the electrons is the only attractive force in a molecule and is the force responsible for the bonding between atoms. This is the attractive force acting on the electrons in the Ehrenfest force and on the nuclei in the Feynman force, one that is countered by the repulsion between the electrons in the former and by the repulsion between the nuclei in the latter. The virial theorem relates these forces to the energy changes resulting from interactions between atoms. All bonding, as signified by the presence of a bond path, has a common origin in terms of the mechanics determined by the Ehrenfest, Feynman and virial theorems. This paper is concerned in particular with the mechanics of interaction encountered in what are classically described as 'nonbonded interactions'--are atoms that 'touch' bonded or repelling one another? PMID:17328425

  19. Whole genomic analyses of asymptomatic human G1P[6], G2P[6] and G3P[6] rotavirus strains reveal intergenogroup reassortment events and genome segments of artiodactyl origin.

    PubMed

    Ghosh, Souvik; Urushibara, Noriko; Chawla-Sarkar, Mamta; Krishnan, Triveni; Kobayashi, Nobumichi

    2013-06-01

    Although P[6] group A rotaviruses (RVA) cause diarrhoea in humans, they have been also associated with endemics of predominantly asymptomatic neonatal infections. Interestingly, strains representing the endemic and asymptomatic P[6] RVAs were found to possess one of the four common human VP7 serotypes (G1-G4), and exhibited little antigenic/genetic differences with the VP4 proteins/VP4 encoding genome segments of P[6] RVAs recovered from diarrhoeic children, raising interest on their complete genetic constellations. In the present study, we report the overall genetic makeup and possible origin of three such asymptomatic human P[6] RVA strains, RVA/Human-tc/VEN/M37/1982/G1P2A[6], RVA/Human-tc/SWE/1076/1983/G2P2A[6] and RVA/Human-tc/AUS/McN13/1980/G3P2A[6]. G1P[6] strain M37 exhibited an unusual genotype constellation (G1-P[6]-R1-C1-M1-A1-N1-T2-E1-H1), not reported previously, and was found to originate from possible intergenogroup reassortment events involving acquisition of a DS-1-like NSP3 encoding genome segment by a human Wa-like RVA strain. On the other hand, G2P[6] strain 1076 exhibited a DS-1-like genotype constellation, and was found to possess several genome segments (those encoding VP1, VP3, VP6 and NSP4) of possible artiodactyl (ruminants) origin on a human RVA genetic backbone. The whole genome of G3P[6] strain McN13 was closely related to that of asymptomatic human Wa-like G3P[6] strain RV3, and both strains shared unique amino acid changes, which might have contributed to their attenuation. Taken together, the present study provided insights into the origin and complex genetic diversity of P[6] RVAs possessing the common human VP7 genotypes. This is the first report on the whole genomic analysis of a G1P[6] RVA strain. PMID:23347969

  20. Geranyl diphosphate synthase molecules, and nucleic acid molecules encoding same

    DOEpatents

    Croteau, Rodney Bruce; Burke, Charles Cullen

    2008-06-24

    In one aspect, the present invention provides isolated nucleic acid molecules that each encode a geranyl diphosphate synthase protein, wherein each isolated nucleic acid molecule hybridizes to a nucleic acid molecule consisting of the sequence set forth in SEQ ID NO:1 under conditions of 5.times.SSC at 45.degree. C. for one hour. The present invention also provides isolated geranyl diphosphate synthase proteins, and methods for altering the level of expression of geranyl diphosphate synthase protein in a host cell.

  1. Electron-excited molecule interactions

    SciTech Connect

    Christophorou, L.G. Tennessee Univ., Knoxville, TN . Dept. of Physics)

    1991-01-01

    In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10{sup 6} to 10{sup 7} times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs.

  2. Organic Molecules in Meteorites

    NASA Astrophysics Data System (ADS)

    Martins, Zita

    2015-08-01

    Carbonaceous meteorites are primitive samples from the asteroid belt, containing 3-5wt% organic carbon. The exogenous delivery of organic matter by carbonaceous meteorites may have contributed to the organic inventory of the early Earth. The majority (>70%) of the meteoritic organic material consist of insoluble organic matter (IOM) [1]. The remaining meteoritic organic material (<30%) consists of a rich organic inventory of soluble organic compounds, including key compounds important in terrestrial biochemistry [2-4]. Different carbonaceous meteorites contain soluble organic molecules with different abundances and distributions, which may reflect the extension of aqueous alteration or thermal metamorphism on the meteorite parent bodies. Extensive aqueous alteration on the meteorite parent body may result on 1) the decomposition of α-amino acids [5, 6]; 2) synthesis of β- and γ-amino acids [2, 6-9]; 3) higher relative abundances of alkylated polycyclic aromatic hydrocarbons (PAHs) [6, 10]; and 4) higher L-enantiomer excess (Lee) value of isovaline [6, 11, 12].The soluble organic content of carbonaceous meteorites may also have a contribution from Fischer-Tropsch/Haber-Bosch type gas-grain reactions after the meteorite parent body cooled to lower temperatures [13, 14].The analysis of the abundances and distribution of the organic molecules present in meteorites helps to determine the physical and chemical conditions of the early solar system, and the prebiotic organic compounds available on the early Earth.[1] Cody and Alexander (2005) GCA 69, 1085. [2] Cronin and Chang (1993) in: The Chemistry of Life’s Origin. pp. 209-258. [3] Martins and Sephton (2009) in: Amino acids, peptides and proteins in organic chemistry. pp. 1-42. [4] Martins (2011) Elements 7, 35. [5] Botta et al. (2007) MAPS 42, 81. [6] Martins et al. (2015) MAPS, in press. [7] Cooper and Cronin (1995) GCA 59, 1003. [8] Glavin et al. (2006) MAPS. 41, 889. [9] Glavin et al. (2011) MAPS 45, 1948. [10

  3. Comparison of upright LBPP and supine LBNP in terms of cardiovascular and biomechanical parameters to simulate 1/6-G (lunar gravity) and 3/8-G (Martian gravity) activities

    NASA Astrophysics Data System (ADS)

    Schlabs, Thomas; Rosales-Velderrain, Armando; Ruckstuhl, Heidi; Richardson, Sara E.; Hargens, Alan

    Background: Missions of astronauts to Moon and Mars may be planned in the future. From over 40 years of manned spaceflight it is known that the human body experiences cardiovascular and musculoskeletal losses and a decrease in aerobic fitness while exposed to reduced gravity. Because future missions will be much longer than before, further research is needed to improve Earth-based simulations of reduced gravity. Among others, two methods are capable of simu-lating fractional gravity on Earth: upright Lower Body Positive Pressure (LBPP) and supine Lower Body Negative Pressure (LBNP). No previous study has directly compared these two methods to determine which method is better suited to simulate both the biomechanical and cardiovascular responses of performing activity in lunar (1/6-G) and Martian (3/8-G) gravities. Taken previous studies into account and considering the fact that supine posture is closer to the established 10 head-up-tilt lunar simulation, we hypothesized that exercise performed in supine LBNP better simulates the cardiovascular conditions that occur in lunar and Martian gravities. Methods: 12 healthy normal subjects underwent a protocol consisting of resting and walking (0.25 Froude) with LBNP and LBPP. Each protocol was performed in simulated 1/6-G and 3/8-G. Heart-rate (HR), blood pressure, oxygen consumption (VO2), vertical component of the ground reaction force, comfort of the subject and perceived exertion of the subject (Borg Scale) were assessed. The obtained parameters were compared to predicted values for lunar and Martian gravity conditions in order to determine the method that shows the best level of agreement. Results: There was no difference in gait parameters between LBPP and LBNP simulation of lunar and Martian gravity (cadence: P=0.427, normalized stride length: P=0.373, duty fac-tor: P=0.302, and normalized vertical peak force (P=0.064). Mean blood pressure (P=0.398), comfort (P=0.832) and BORG rating (P=0.186) did not differ

  4. Single molecule tracking

    DOEpatents

    Shera, E.B.

    1987-10-07

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photons are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions. 3 figs.

  5. Single molecule tracking

    DOEpatents

    Shera, E. Brooks

    1988-01-01

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photones are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions.

  6. Electrochromic Graphene Molecules

    DOE PAGES

    Ji, Zhiqiang; Doorn, Stephen K.; Sykora, Milan

    2015-03-13

    Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were foundmore » to be E1,ox 0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.« less

  7. Strongly interacting ultracold polar molecules

    NASA Astrophysics Data System (ADS)

    Gadway, Bryce; Yan, Bo

    2016-08-01

    This paper reviews recent advances in the study of strongly interacting systems of dipolar molecules. Heteronuclear molecules feature large and tunable electric dipole moments, which give rise to long-range and anisotropic dipole-dipole interactions. Ultracold samples of dipolar molecules with long-range interactions offer a unique platform for quantum simulations and the study of correlated many-body physics. We provide an introduction to the physics of dipolar quantum gases, both electric and magnetic, and summarize the multipronged efforts to bring dipolar molecules into the quantum regime. We discuss in detail the recent experimental progress in realizing and studying strongly interacting systems of polar molecules trapped in optical lattices, with particular emphasis on the study of interacting spin systems and non-equilibrium quantum magnetism. Finally, we conclude with a brief discussion of the future prospects for studies of strongly interacting dipolar molecules.

  8. Strongly interacting ultracold polar molecules

    NASA Astrophysics Data System (ADS)

    Gadway, Bryce; Yan, Bo

    2016-08-01

    This paper reviews recent advances in the study of strongly interacting systems of dipolar molecules. Heteronuclear molecules feature large and tunable electric dipole moments, which give rise to long-range and anisotropic dipole–dipole interactions. Ultracold samples of dipolar molecules with long-range interactions offer a unique platform for quantum simulations and the study of correlated many-body physics. We provide an introduction to the physics of dipolar quantum gases, both electric and magnetic, and summarize the multipronged efforts to bring dipolar molecules into the quantum regime. We discuss in detail the recent experimental progress in realizing and studying strongly interacting systems of polar molecules trapped in optical lattices, with particular emphasis on the study of interacting spin systems and non-equilibrium quantum magnetism. Finally, we conclude with a brief discussion of the future prospects for studies of strongly interacting dipolar molecules.

  9. The analysis of time-resolved optical waveguide absorption spectroscopy based on positive matrix factorization.

    PubMed

    Liu, Ping; Li, Zhu; Li, Bo; Shi, Guolong; Li, Minqiang; Yu, Daoyang; Liu, Jinhuai

    2013-08-01

    Time-resolved optical waveguide absorption spectroscopy (OWAS) makes use of an evanescent field to detect the polarized absorption spectra of sub-monomolecular adlayers. This technique is suitable for the investigation of kinetics at the solid/liquid interface of dyes, pigments, fluorescent molecules, quantum dots, metallic nanoparticles, and proteins with chromophores. In this work, we demonstrate the application of positive matrix factorization (PMF) to analyze time-resolved OWAS for the first time. Meanwhile, PCA is researched to compare with PMF. The absorption/desorption kinetics of Rhodamine 6G (R6G) onto a hydrophilic glass surface and the dynamic process of Meisenheimer complex between Cysteine and TNT are selected as samples to verify experimental system and analytical methods. The results are shown that time-resolved OWAS can well record the absorption/desorption of R6G onto a hydrophilic glass surface and the dynamic formation process of Meisenheimer complexes. The feature of OWAS extracted by PMF is dynamic and consistent with the results analyzed by the traditional function of time/wavelength-absorbance. Moreover, PMF prevents the negative factors from occurring, avoids contradicting physical reality, and makes factors more easily interpretable. Therefore, we believe that PMF will provide a valuable analysis route to allow processing of increasingly large and complex data sets.

  10. Novel ferroferric oxide/polystyrene/silver core-shell magnetic nanocomposite microspheres as regenerable substrates for surface-enhanced Raman scattering

    NASA Astrophysics Data System (ADS)

    Liu, Bo; Bai, Chong; Zhao, Dan; Liu, Wei-Liang; Ren, Man-Man; Liu, Qin-Ze; Yang, Zhi-Zhou; Wang, Xin-Qiang; Duan, Xiu-Lan

    2016-02-01

    A novel Ag-coated Fe3O4@Polystyrene core-shell microsphere has been designed via fabrication of Fe3O4@Polystyrene core-shell magnetic microsphere through a seed emulsion polymerization, followed by deposition of Ag nanoparticles using in-situ reduction method. Such magnetic microspheres can be utilized as sensitive surface-enhanced Raman scattering (SERS) substrates, using Rhodamine 6G (R6G) as a probe molecule, with both stable and reproducible performances. The SERS detection limit of R6G decreased to 1 × 10-10 M and the enhancement factor of this substrate on the order of 106 was obtained. In addition, owing to possessing excellent magnetic properties, the resultant microspheres could be separated rapidly by an external magnetic field and utilized repeatedly for three times at least. Therefore, the unique renewable property suggests a new route to eliminate the single-use problem of traditional SERS substrates and will be promising for the practical application.

  11. [Synthesis of Ultra-Uniform Gold Spherical Nanoparticles with Different Sizes and Their SERS Effects Study].

    PubMed

    Jiang, Si-wen; Li, Xia; Zhang, Yue-jiao; Zhu, Gen-song; Li, Jian-feng

    2016-01-01

    A series of ultra-uniform gold spherical nanoparticles with different sizes were synthesized using gold chloride acid as precursor, ascorbic acid as reductant and sodium citrate hydrate as surfactant. The prepared Au nanoparticles were characterized by scanning electron microscope (SEM) and UV-visible spectroscopy. The results showed that the absorption peak of UV-Vis spectroscopy red-shifted along with size increasing of the nanoparticles and finally appeared a quadrupole peak. To further explore the mechanism of surface enhanced Raman spectroscopy (SERS) effect and optimize the sensitivity, SERS on Au nanoparticles with different sizes were measured using Rhodamine 6G (R6G) as probe molecule. We found the SERS signals of R6G on the Au nanoaprtciles were highly size dependent. When the particles sizes are close to -120 nm, it will generate the highest enhancement, the enhancement factor is about 1.1 x 10(7). The 3D-FDTD simulation results correlated with the experimental data very well. PMID:27228749

  12. [Three-dimensional vertically aligned CNTs coated by Ag nanoparticles for surface-enhanced Raman scattering].

    PubMed

    Zhang, Xiao-Lei; Zhang, Jie; Fan, Tuo; Ren, Wen-Jie; Lai, Chun-Hong

    2014-09-01

    In order to make surface-enhanced Raman scattering (SERS) substrates contained more "hot spots" in a three-dimensional (3D) focal volume, and can be adsorbed more probe molecules and metal nanoparticles, to obtain stronger Raman spectral signal, a new structure based on vertically aligned carbon nanotubes (CNTs) coated by Ag nanoparticles for surface Raman enhancement is presented. The vertically aligned CNTs are synthesized by chemical vapor deposition (CVD). A silver film is first deposited on the vertically aligned CNTs by magnetron sputtering. The samples are then annealed at different temperature to cause the different size silver nanoparticles to coat on the surface and sidewalls of vertically aligned CNTs. The result of scanning electron microscopy(SEM) shows that Ag nanoparticles are attached onto the sidewalls and tips of the vertically aligned CNTs, as the annealing temperature is different , pitch size, morphology and space between the silver nanoparticles is vary. Rhodamine 6G is served as the probe analyte. Raman spectrum measurement indicates that: the higher the concentration of R6G, the stronger the Raman intensity, but R6G concentration increase with the enhanced Raman intensity varies nonlinearly; when annealing temperature is 450 °C, the average size of silver nanoparticles is about 100 to 120 nm, while annealing temperature is 400 °C, the average size is about 70 nm, and the Raman intensity of 450 °C is superior to the annealing temperature that of 400 °C and 350 °C. PMID:25532342

  13. Facile preparation of silver nanoparticle films as an efficient surface-enhanced Raman scattering substrate

    NASA Astrophysics Data System (ADS)

    Sun, Yujing; Zhang, Yue; Shi, Yan; Xiao, Xianping; Dai, Haichao; Hu, Jingting; Ni, Pengjuan; Li, Zhuang

    2013-10-01

    Here, we report a new and facile method to prepare silver nanoparticles (Ag NPs) film for surface-enhanced Raman scattering (SERS)-based sensing. The porous Ni foam was used as a template to generate high quality of Ag NPs by seed-mediated growth of metallic nanoparticles. The preparation process is very economic and environment-friendly, can achieve the recovery of the raw materials. We found that the type of silver-plating solution and the growth time are two key factors to determine the magnitude of SERS signal enhancement. Using rhodamine 6G (R6G) and 4-animothiophenol (4-ATP) as probe molecules, the created Ag NP films exhibited relatively high enhancement ability, good stability, and well reproducibility. The synthesized SERS-active substrate was further used to detect melamine molecules, an illegal additive in infant milk powder, and the limitation of detection can reach 1 μM.

  14. Photodynamic activity of a number of photosensitizers in vitro

    NASA Astrophysics Data System (ADS)

    Yakubovskaya, Raisa I.; Oganezov, Victor K.; Shytova, Larisa A.; Karmakova, Tatyana A.; Vorozhtsov, Georgy N.; Kuzmin, Sergei G.

    1996-12-01

    The comparative study of the photosensitizers with different chemical, spectral-luminescent and photophysical properties (phthalocyanines -- photosense, di- and trisulphonated zinc (II) phthalocyanines; chlorines -- chlorine p6, desvinyl-3- formyl-chlorine p6 and 3-desvinyl-3-acetyl-chlorine p6; xanthenes --rhodamine 123, rhodamine 6G-chloride, rhodamine 6G-acetate, rhodamine 6G-iodide; arylamines -- oxazinne perchlorate, oxazine-1 zinc salt, 9-diethylamino-5- ethylaminobenzophe-nothiazonium acetate, methylene blue) was performed. The cyto- and the phototoxicity of these compounds were studied on the cells of two human tumor cell lines (Raji B-cell lymphoma and A-549 lung adenocarcinoma) by MTT-test. It was shown that phthalocyanines and chlorines were not cytotoxic, whereas xanthenes and arylamines possessed dark toxicity. On the basis of the IC50 (the substance concentration, which induced 50% inhibition of cell proliferation in the cell culture) the rows of phototoxicity of the compounds of various classes were set out: in phthalocyanines: ZnPcS2 greater than Photosence greater than ZnPcS3; in chlorines: 3dV-3F-Chl p6 greater than 3 dV-3Ac Chl p6 greater than Chl p6; in xanthenes: R6G- Ac greater than R6G-Cl greater than R6G-I greater than R 123; in arylamines: Meth B greater than or equal to 9-DE-B- Ac greater than Ox1-1/2ZnCl42- very much greater than Ox1-ClO4-. Phototoxicity of the studied compounds depended on the nature of the substitutes and of the counter ions in photosensitizers molecules as well as on the concentration of the photosensitizer, on the light doses and on the regimes of irradiation. The fractionation of the light doses increased the efficiency of the phototoxic effect of the dyes on the tumor cells significantly. It was shown by the luminescent microscopy that the dynamics and the intensity of the accumulation of the rhodamines derivatives in lung adenocarcinoma cells depended on the nature of the counter ion in the photosensitizer molecule

  15. Aromatic molecules as spintronic devices

    SciTech Connect

    Ojeda, J. H.; Orellana, P. A.; Laroze, D.

    2014-03-14

    In this paper, we study the spin-dependent electron transport through aromatic molecular chains attached to two semi-infinite leads. We model this system taking into account different geometrical configurations which are all characterized by a tight binding Hamiltonian. Based on the Green's function approach with a Landauer formalism, we find spin-dependent transport in short aromatic molecules by applying external magnetic fields. Additionally, we find that the magnetoresistance of aromatic molecules can reach different values, which are dependent on the variations in the applied magnetic field, length of the molecules, and the interactions between the contacts and the aromatic molecule.

  16. Electrochromic Graphene Molecules

    SciTech Connect

    Ji, Zhiqiang; Doorn, Stephen K.; Sykora, Milan

    2015-03-13

    Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were found to be E1,ox 0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.

  17. Influence of the availability of iron during hypoxia on the genes associated with apoptotic activity and local iron metabolism in rat H9C2 cardiomyocytes and L6G8C5 skeletal myocytes.

    PubMed

    Dziegala, Magdalena; Kasztura, Monika; Kobak, Kamil; Bania, Jacek; Banasiak, Waldemar; Ponikowski, Piotr; Jankowska, Ewa A

    2016-10-01

    The differential availability of iron during hypoxia is presumed to affect the functioning of cardiac and skeletal myocytes. Rat H9C2 cardiomyocytes and L6G8C5 myocytes were cultured for 48 h in normoxic or hypoxic conditions at the optimal, reduced or increased iron concentration. The mRNA expression levels of markers of apoptosis [B‑cell lymphoma‑2 (Bcl2; inhibition) and Bcl‑2‑activated X protein (Bax; induction)], atrophy (Atrogin), glycolysis (pyruvate kinase 2; PKM2) and iron metabolism [transferrin receptor 1 (TfR1; iron importer), ferroportin 1 (FPN1; iron exporter), ferritin heavy chain (FTH; iron storage protein) and hepcidin (HAMP; iron regulator)] were determined using reverse transcription‑quantitative polymerase chain reaction, and cell viability was measured using an tetrazolium reduction assay. Cardiomyocytes and myocytes, when exposed to hypoxia, demonstrated an increased Bax/Bcl‑2 gene expression ratio (P<0.05). Additional deferoxamine (DFO) treatment resulted in further increases in Bax/Bcl‑2 in each cell type (P<0.001 each) and this was associated with the 15% loss in viability. The analogous alterations were observed in both cell types upon ammonium ferric citrate (AFC) treatment during hypoxia; however, the increased Bax/Bcl‑2 ratio and associated viability loss was lower compared with that in case of DFO treatment (P<0.05 each). Under hypoxic conditions, myocytes demonstrated an increased expression of PKM2 (P<0.01). Additional DFO treatment caused an increase in the mRNA expression levels of PKM2 and Atrogin‑1 (P<0.001 and P<0.05, respectively), whereas AFC treatment caused an increased mRNA expression of PKM2 (P<0.01) and accompanied decreased mRNA expression of Atrogin‑1 (P<0.05). The expression augmentation of PKM2 during hypoxia was greater upon low iron compared with that of ferric salt treatment (P<0.01). Both cell types upon DFO during hypoxia demonstrated the increased expression of TfR1

  18. Influence of the availability of iron during hypoxia on the genes associated with apoptotic activity and local iron metabolism in rat H9C2 cardiomyocytes and L6G8C5 skeletal myocytes.

    PubMed

    Dziegala, Magdalena; Kasztura, Monika; Kobak, Kamil; Bania, Jacek; Banasiak, Waldemar; Ponikowski, Piotr; Jankowska, Ewa A

    2016-10-01

    The differential availability of iron during hypoxia is presumed to affect the functioning of cardiac and skeletal myocytes. Rat H9C2 cardiomyocytes and L6G8C5 myocytes were cultured for 48 h in normoxic or hypoxic conditions at the optimal, reduced or increased iron concentration. The mRNA expression levels of markers of apoptosis [B‑cell lymphoma‑2 (Bcl2; inhibition) and Bcl‑2‑activated X protein (Bax; induction)], atrophy (Atrogin), glycolysis (pyruvate kinase 2; PKM2) and iron metabolism [transferrin receptor 1 (TfR1; iron importer), ferroportin 1 (FPN1; iron exporter), ferritin heavy chain (FTH; iron storage protein) and hepcidin (HAMP; iron regulator)] were determined using reverse transcription‑quantitative polymerase chain reaction, and cell viability was measured using an tetrazolium reduction assay. Cardiomyocytes and myocytes, when exposed to hypoxia, demonstrated an increased Bax/Bcl‑2 gene expression ratio (P<0.05). Additional deferoxamine (DFO) treatment resulted in further increases in Bax/Bcl‑2 in each cell type (P<0.001 each) and this was associated with the 15% loss in viability. The analogous alterations were observed in both cell types upon ammonium ferric citrate (AFC) treatment during hypoxia; however, the increased Bax/Bcl‑2 ratio and associated viability loss was lower compared with that in case of DFO treatment (P<0.05 each). Under hypoxic conditions, myocytes demonstrated an increased expression of PKM2 (P<0.01). Additional DFO treatment caused an increase in the mRNA expression levels of PKM2 and Atrogin‑1 (P<0.001 and P<0.05, respectively), whereas AFC treatment caused an increased mRNA expression of PKM2 (P<0.01) and accompanied decreased mRNA expression of Atrogin‑1 (P<0.05). The expression augmentation of PKM2 during hypoxia was greater upon low iron compared with that of ferric salt treatment (P<0.01). Both cell types upon DFO during hypoxia demonstrated the increased expression of TfR1

  19. Featured Molecules: Sucrose and Vanillin

    NASA Astrophysics Data System (ADS)

    Coleman, William F.; Wildman, Randall J.

    2003-04-01

    The WebWare molecules of the month for April relate to the sense of taste. Apple Fool, the JCE Classroom Activity, mentions sucrose and vanillin and their use as flavorings. Fully manipulable (Chime) versions of these and other molecules are available at Only@JCE Online.

  20. Proregenerative Properties of ECM Molecules

    PubMed Central

    Plantman, Stefan

    2013-01-01

    After traumatic injuries to the nervous system, regrowing axons encounter a complex microenvironment where mechanisms that promote regeneration compete with inhibitory processes. Sprouting and axonal regrowth are key components of functional recovery but are often counteracted by inhibitory molecules. This review covers extracellular matrix molecules that support neuron axonal outgrowth. PMID:24195084

  1. Micro-Kelvin cold molecules.

    SciTech Connect

    Strecker, Kevin E.; Chandler, David W.

    2009-10-01

    We have developed a novel experimental technique for direct production of cold molecules using a combination of techniques from atomic optical and molecular physics and physical chemistry. The ability to produce samples of cold molecules has application in a broad spectrum of technical fields high-resolution spectroscopy, remote sensing, quantum computing, materials simulation, and understanding fundamental chemical dynamics. Researchers around the world are currently exploring many techniques for producing samples of cold molecules, but to-date these attempts have offered only limited success achieving milli-Kelvin temperatures with low densities. This Laboratory Directed Research and Development project is to develops a new experimental technique for producing micro-Kelvin temperature molecules via collisions with laser cooled samples of trapped atoms. The technique relies on near mass degenerate collisions between the molecule of interest and a laser cooled (micro-Kelvin) atom. A subset of collisions will transfer all (nearly all) of the kinetic energy from the 'hot' molecule, cooling the molecule at the expense of heating the atom. Further collisions with the remaining laser cooled atoms will thermally equilibrate the molecules to the micro-Kelvin temperature of the laser-cooled atoms.

  2. Loosely-Bound Diatomic Molecules.

    ERIC Educational Resources Information Center

    Balfour, W. J.

    1979-01-01

    Discusses concept of covalent bonding as related to homonuclear diatomic molecules. Article draws attention to the existence of bound rare gas and alkaline earth diatomic molecules. Summarizes their molecular parameters and offers spectroscopic data. Strength and variation with distance of interatomic attractive forces is given. (Author/SA)

  3. Enzyme molecules in solitary confinement.

    PubMed

    Liebherr, Raphaela B; Gorris, Hans H

    2014-09-12

    Large arrays of homogeneous microwells each defining a femtoliter volume are a versatile platform for monitoring the substrate turnover of many individual enzyme molecules in parallel. The high degree of parallelization enables the analysis of a statistically representative enzyme population. Enclosing individual enzyme molecules in microwells does not require any surface immobilization step and enables the kinetic investigation of enzymes free in solution. This review describes various microwell array formats and explores their applications for the detection and investigation of single enzyme molecules. The development of new fabrication techniques and sensitive detection methods drives the field of single molecule enzymology. Here, we introduce recent progress in single enzyme molecule analysis in microwell arrays and discuss the challenges and opportunities.

  4. Molecule-hugging graphene nanopores.

    PubMed

    Garaj, Slaven; Liu, Song; Golovchenko, Jene A; Branton, Daniel

    2013-07-23

    It has recently been recognized that solid-state nanopores in single-atomic-layer graphene membranes can be used to electronically detect and characterize single long charged polymer molecules. We have now fabricated nanopores in single-layer graphene that are closely matched to the diameter of a double-stranded DNA molecule. Ionic current signals during electrophoretically driven translocation of DNA through these nanopores were experimentally explored and theoretically modeled. Our experiments show that these nanopores have unusually high sensitivity (0.65 nA/Å) to extremely small changes in the translocating molecule's outer diameter. Such atomically short graphene nanopores can also resolve nanoscale-spaced molecular structures along the length of a polymer, but do so with greatest sensitivity only when the pore and molecule diameters are closely matched. Modeling confirms that our most closely matched pores have an inherent resolution of ≤ 0.6 nm along the length of the molecule. PMID:23836648

  5. Cold molecules, collisions and reactions

    NASA Astrophysics Data System (ADS)

    Hecker Denschlag, Johannes

    2016-05-01

    I will report on recent experiments of my group where we have been studying the formation of ultracold diatomic molecules and their subsequent inelastic/reactive collisions. For example, in one of these experiments we investigate collisions of triplet Rb2 molecules in the rovibrational ground state. We observe fast molecular loss and compare the measured loss rates to predictions based on universality. In another set of experiments we investigate the formation of (BaRb)+ molecules after three-body recombination of a single Ba+ ion with two Rb atoms in an ultracold gas of Rb atoms. Our investigations indicate that the formed (BaRb)+ molecules are weakly bound and that several secondary processes take place ranging from photodissociation of the (BaRb)+ molecule to reactive collisions with Rb atoms. I will explain how we can experimentally distinguish these processes and what the typical reaction rates are. Support from the German Research foundation DFG and the European Community is acknowledged.

  6. Molecules within molecules: Recognition through self-assembly

    PubMed Central

    Hof, Fraser; Rebek, Julius

    2002-01-01

    Synthetic molecular receptors that completely surround their target molecules can be created through the use of noncovalent interactions. These molecular capsules selectively sequester guest molecules from the influence of bulk solvent and other molecules on the basis of size, shape, and chemical complementarity. This reversible isolation spawns unique behavior within the confines of the host; the catalysis of chemical reactions and the stabilization of reactive species are possible outcomes that have been recently demonstrated. Compartmentalization of reagents can also have a dramatic effect on reactions that take place outside of the capsule, producing nonlinear kinetics in relatively simple reaction systems. PMID:11880604

  7. Dual-functional sensor based on switchable plasmonic structure of VO2 nano-crystal films and Ag nanoparticles.

    PubMed

    Yi, Mingfang; Lu, Changgui; Gong, Yan; Qi, Zhengqing; Cui, Yiping

    2014-12-01

    Utilizing the insulator-metal phase transition of vanadium dioxide (VO2) crystal films, we develop a dual-functional sensor based on the coupling between VO2 nano-crystal films and Ag nanoparticles, which can probe fluorescence or Raman signals on the same substrate and it is switchable by changing temperature. At room temperature, the VO2 crystal films is insulator phase and the fluorescence signals of probe molecules (R6G) is detectable (Raman is in "off"). At high temperature (such as 85 °C), the VO2 crystal films become metallic phase. Ag nanoparticles interact with the metal phase of VO2 crystal films to produce stronger localized electric field. The stronger electric field can excite the Raman signals of probe molecules (R6G) and the coupled structure can also emit the Raman signals out efficiently (Raman is in "on"). The switchable probe of fluorescence and Raman signals would have potential applications in active photoelectric components, such as intelligent switch and multifunctional active sensor etc.

  8. Single Molecule Electronics and Devices

    PubMed Central

    Tsutsui, Makusu; Taniguchi, Masateru

    2012-01-01

    The manufacture of integrated circuits with single-molecule building blocks is a goal of molecular electronics. While research in the past has been limited to bulk experiments on self-assembled monolayers, advances in technology have now enabled us to fabricate single-molecule junctions. This has led to significant progress in understanding electron transport in molecular systems at the single-molecule level and the concomitant emergence of new device concepts. Here, we review recent developments in this field. We summarize the methods currently used to form metal-molecule-metal structures and some single-molecule techniques essential for characterizing molecular junctions such as inelastic electron tunnelling spectroscopy. We then highlight several important achievements, including demonstration of single-molecule diodes, transistors, and switches that make use of electrical, photo, and mechanical stimulation to control the electron transport. We also discuss intriguing issues to be addressed further in the future such as heat and thermoelectric transport in an individual molecule. PMID:22969345

  9. Resolving metal-molecule interfaces at single-molecule junctions

    PubMed Central

    Komoto, Yuki; Fujii, Shintaro; Nakamura, Hisao; Tada, Tomofumi; Nishino, Tomoaki; Kiguchi, Manabu

    2016-01-01

    Electronic and structural detail at the electrode-molecule interface have a significant influence on charge transport across molecular junctions. Despite the decisive role of the metal-molecule interface, a complete electronic and structural characterization of the interface remains a challenge. This is in no small part due to current experimental limitations. Here, we present a comprehensive approach to obtain a detailed description of the metal-molecule interface in single-molecule junctions, based on current-voltage (I-V) measurements. Contrary to conventional conductance studies, this I-V approach provides a correlated statistical description of both, the degree of electronic coupling across the metal-molecule interface, and the energy alignment between the conduction orbital and the Fermi level of the electrode. This exhaustive statistical approach was employed to study single-molecule junctions of 1,4-benzenediamine (BDA), 1,4-butanediamine (C4DA), and 1,4-benzenedithiol (BDT). A single interfacial configuration was observed for both BDA and C4DA junctions, while three different interfacial arrangements were resolved for BDT. This multiplicity is due to different molecular adsorption sites on the Au surface namely on-top, hollow, and bridge. Furthermore, C4DA junctions present a fluctuating I-V curve arising from the greater conformational freedom of the saturated alkyl chain, in sharp contrast with the rigid aromatic backbone of both BDA and BDT. PMID:27221947

  10. Nonsequential double ionization of molecules

    SciTech Connect

    Prauzner-Bechcicki, Jakub S.; Sacha, Krzysztof; Zakrzewski, Jakub; Eckhardt, Bruno

    2005-03-01

    Double ionization of diatomic molecules by short linearly polarized laser pulses is analyzed. We consider the final stage of the ionization process, that is the decay of a highly excited two electron molecule, which is formed after rescattering. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons takes place are identified. Numerical simulations of the ionization of molecules show that the process can be dominated by either sequential or nonsequential events. In order to increase the ratio of nonsequential to sequential ionizations very short laser pulses should be applied.

  11. Quantum transport through aromatic molecules

    SciTech Connect

    Ojeda, J. H.; Rey-González, R. R.; Laroze, D.

    2013-12-07

    In this paper, we study the electronic transport properties through aromatic molecules connected to two semi-infinite leads. The molecules are in different geometrical configurations including arrays. Using a nearest neighbor tight-binding approach, the transport properties are analyzed into a Green's function technique within a real-space renormalization scheme. We calculate the transmission probability and the Current-Voltage characteristics as a function of a molecule-leads coupling parameter. Our results show different transport regimes for these systems, exhibiting metal-semiconductor-insulator transitions and the possibility to employ them in molecular devices.

  12. Relative Sizes of Organic Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    This computer graphic depicts the relative complexity of crystallizing large proteins in order to study their structures through x-ray crystallography. Insulin is a vital protein whose structure has several subtle points that scientists are still trying to determine. Large molecules such as insuline are complex with structures that are comparatively difficult to understand. For comparison, a sugar molecule (which many people have grown as hard crystals in science glass) and a water molecule are shown. These images were produced with the Macmolecule program. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  13. Organic heterocyclic molecules become superalkalis.

    PubMed

    Reddy, G Naaresh; Giri, Santanab

    2016-09-21

    An organic molecule which behaves like a superalkali has been designed from an aromatic heterocyclic molecule, pyrrole. Using first-principles calculation and a systematic two-step approach, we can have superalkali molecules with a low ionization energy, even lower than that of Cs. Couple cluster (CCSD) calculation reveals that a new heterocycle, C3N2(CH3)5 derived from a well-known aromatic heterocycle, pyrrole (C4H5N) has an ionization energy close to 3.0 eV. A molecular dynamics calculation on C3N2(CH3)5 reveals that the structure is dynamically stable. PMID:27530344

  14. Fluorescence Microscopy of Single Molecules

    ERIC Educational Resources Information Center

    Zimmermann, Jan; van Dorp, Arthur; Renn, Alois

    2004-01-01

    The investigation of photochemistry and photophysics of individual quantum systems is described with the help of a wide-field fluorescence microscopy approach. The fluorescence single molecules are observed in real time.

  15. Moving Molecules and Mothball Madness.

    ERIC Educational Resources Information Center

    Strain, John

    1993-01-01

    Describes concrete demonstrations on the states of matter. In the first demonstration, students represent molecules; and, in the second demonstration, moth balls are heated to produce a change of state. (PR)

  16. Molecule-hugging graphene nanopores

    PubMed Central

    Garaj, Slaven; Liu, Song; Golovchenko, Jene A.; Branton, Daniel

    2013-01-01

    It has recently been recognized that solid-state nanopores in single-atomic-layer graphene membranes can be used to electronically detect and characterize single long charged polymer molecules. We have now fabricated nanopores in single-layer graphene that are closely matched to the diameter of a double-stranded DNA molecule. Ionic current signals during electrophoretically driven translocation of DNA through these nanopores were experimentally explored and theoretically modeled. Our experiments show that these nanopores have unusually high sensitivity (0.65 nA/Å) to extremely small changes in the translocating molecule’s outer diameter. Such atomically short graphene nanopores can also resolve nanoscale-spaced molecular structures along the length of a polymer, but do so with greatest sensitivity only when the pore and molecule diameters are closely matched. Modeling confirms that our most closely matched pores have an inherent resolution of ≤0.6 nm along the length of the molecule. PMID:23836648

  17. Cobalt single-molecule magnet

    NASA Astrophysics Data System (ADS)

    Yang, En-Che; Hendrickson, David N.; Wernsdorfer, Wolfgang; Nakano, Motohiro; Zakharov, Lev N.; Sommer, Roger D.; Rheingold, Arnold L.; Ledezma-Gairaud, Marisol; Christou, George

    2002-05-01

    A cobalt molecule that functions as a single-molecule magnet, [Co4(hmp)4(MeOH)4Cl4], where hmp- is the anion of hydroxymethylpyridine, is reported. The core of the molecule consists of four Co(II) cations and four hmp- oxygen atom ions at the corners of a cube. Variable-field and variable-temperature magnetization data have been analyzed to establish that the molecule has a S=6 ground state with considerable negative magnetoanisotropy. Single-ion zero-field interactions (DSz2) at each cobalt ion are the origin of the negative magnetoanisotropy. A single crystal of the compound was studied by means of a micro-superconducting quantum interference device magnetometer in the range of 0.040-1.0 K. Hysteresis was found in the magnetization versus magnetic field response of this single crystal.

  18. Surface chemistry of deuterated molecules

    NASA Astrophysics Data System (ADS)

    Tielens, A. G. G. M.

    1983-03-01

    The chemical composition of grain mantles is calculated in order to determine the concentration of deuterated molecules relative to their hydrogenated counterparts in grain mantles. The computation takes into account reactions involving deuterium in the gas phase and on grain surfaces. The results show that the abundance of deuterium molecules in grain mantles is much higher than expected on the basis of the cosmic abundance ratio of D to H. HDCO has a relatively high abundance in grain mantles as compared to other deuterated molecules, due to the fact that H abstraction from HDCO has a lower activation barrier than D abstraction. The infrared characteristics of the calculated grain mantles are discussed and observational tests of the model calcultions are suggested. The contribution of grain surface chemistry to the concentration of molecules in the gas phase is briefly considered.

  19. Traversing the polymorphic landscape through tuning molecule-molecule, molecule-substrate and molecule-solvent interactions

    NASA Astrophysics Data System (ADS)

    Purdum, Geoffrey; Gessner, Thomas; Weitz, R. Thomas; Loo, Yueh-Lin

    As subtle changes in the crystalline packing motif of molecular semiconductors can have a large impact on charge transport, a thorough understanding of the accessibility of polymorphs in thin films is needed. Using a series of core-chlorinated naphthalene tetracarboxylic diimides, we demonstrate that the choice of the alkyl substituents at the imide functionalities, as well as the choice of substrate and post-deposition processing conditions, tune the relative strengths of molecule-molecule, molecule-substrate and molecule-solvent interactions, providing a handle over polymorphic selection. We access the triclinic polymorph of NTCDI-CH2C3F7 in thermally evaporated thin films; solvent-vapor annealing induces a reversible transformation to its monoclinic polymorph. The addition of a fluoromethylene group in the alkyl substituent increases molecule-molecule interactions and, accordingly, improves the stability of its triclinic polymorph; this derivative does not undergo a polymorphic transformation with any of the post-deposition conditions we have explored.

  20. Electrostatic Interactions of Fluorescent Molecules with Dielectric Interfaces Studied by Total Internal Reflection Fluorescence Correlation Spectroscopy

    PubMed Central

    Blom, Hans; Hassler, Kai; Chmyrov, Andriy; Widengren, Jerker

    2010-01-01

    Electrostatic interactions between dielectric surfaces and different fluorophores used in ultrasensitive fluorescence microscopy are investigated using objective-based Total Internal Reflection Fluorescence Correlation Spectroscopy (TIR-FCS). The interfacial dynamics of cationic rhodamine 123 and rhodamine 6G, anionic/dianionic fluorescein, zwitterionic rhodamine 110 and neutral ATTO 488 are monitored at various ionic strengths at physiological pH. As analyzed by means of the amplitude and time-evolution of the autocorrelation function, the fluorescent molecules experience electrostatic attraction or repulsion at the glass surface depending on their charges. Influences of the electrostatic interactions are also monitored through the triplet-state population and triplet relaxation time, including the amount of detected fluorescence or the count-rate-per-molecule parameter. These TIR-FCS results provide an increased understanding of how fluorophores are influenced by the microenvironment of a glass surface, and show a promising approach for characterizing electrostatic interactions at interfaces. PMID:20386645

  1. Raman Optical Activity Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach.

    PubMed

    Jovan Jose, K V; Raghavachari, Krishnan

    2016-02-01

    We present an efficient method for the calculation of the Raman optical activity (ROA) spectra for large molecules through the molecules-in-molecules (MIM) fragment-based method. The relevant higher energy derivatives from smaller fragments are used to build the property tensors of the parent molecule to enable the extension of the MIM method for evaluating ROA spectra (MIM-ROA). Two factors were found to be particularly important in yielding accurate results. First, the link-atom tensor components are projected back onto the corresponding host and supporting atoms through the Jacobian projection method, yielding a mathematically rigorous method. Second, the long-range interactions between fragments are taken into account by using a less computationally expensive lower level of theory. The performance of the MIM-ROA model is calibrated on the enantiomeric pairs of 10 carbohydrate benchmark molecules, with strong intramolecular interactions. The vibrational frequencies and ROA intensities are accurately reproduced relative to the full, unfragmented, results for these systems. In addition, the MIM-ROA method is employed to predict the ROA spectra of d-maltose, α-D-cyclodextrin, and cryptophane-A, yielding spectra in excellent agreement with experiment. The accuracy and performance of the benchmark systems validate the MIM-ROA model for exploring ROA spectra of large molecules.

  2. Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach.

    PubMed

    Jose, K V Jovan; Beckett, Daniel; Raghavachari, Krishnan

    2015-09-01

    We present the first implementation of the vibrational circular dichroism (VCD) spectrum of large molecules through the Molecules-in-Molecules (MIM) fragment-based method. An efficient projection of the relevant higher energy derivatives from smaller fragments to the parent molecule enables the extension of the MIM method for the evaluation of VCD spectra (MIM-VCD). The overlapping primary subsystems in this work are constructed from interacting fragments using a number-based scheme and the dangling bonds are saturated with link hydrogen atoms. Independent fragment calculations are performed to evaluate the energies, Hessian matrix, atomic polar tensor (APT), and the atomic axial tensor (AAT). Subsequently, the link atom tensor components are projected back onto the corresponding host and supporting atoms through the Jacobian projection method, as in the ONIOM approach. In the two-layer model, the long-range interactions between fragments are accounted for using a less computationally intensive lower level of theory. The performance of the MIM model is calibrated on the d- and l-enantiomers of 10 carbohydrate benchmark molecules, with strong intramolecular interactions. The vibrational frequencies and VCD intensities are accurately reproduced relative to the full, unfragmented, results for these systems. In addition, the MIM-VCD method is employed to predict the VCD spectra of perhydrotriphenylene and cryptophane-A, yielding spectra in agreement with experiment. The accuracy and performance of the benchmark systems validate the MIM-VCD model for exploring vibrational circular dichroism spectra of large molecules.

  3. High-efficiency molecular counting in solution: Single-molecule detection in electrodynamically focused microdroplet streams

    SciTech Connect

    Lermer, N.; Barnes, M.D.; Kung, C.Y.; Whitten, W.B.; Ramsey, J.M.

    1997-06-01

    We report fluorescence detection of individual rhodamine 6G molecules using a linear quadrupole to focus streams of microdroplets through the waist of a counterpropagating cw Ar{sup +} laser. Since the terminal velocity scales as the square of the droplet diameter, the droplet-laser interaction time was `tunable` between 5 and 200 ms by using water samples spiked with a small, variable (2-5% v/v) amount of glycerol. Fluorescence bursts from droplets containing single molecules were clearly distinguished from the blanks in real time with an average signal-to-noise ratio of about 10, limited primarily by photobleaching and droplet size fluctuations (<1%). The volume throughput rates associated with this approach (approx. 10 pL/s) are roughly 10{sup 3} higher than those associated with particle levitation techniques, with minimal sacrifice in sensitivity. Total molecular detection efficiencies of about 80% (at >99% confidence) were obtained for 100 and 15 fM rhodamine 6G solutions, in good agreement with detailed theoretical calculations and statistical limitations. 39 refs., 7 figs., 1 tab.

  4. Measuring an antibody affinity distribution molecule by molecule.

    PubMed

    Temirov, Jamshid P; Bradbury, Andrew R M; Werner, James H

    2008-11-15

    Single molecule fluorescence microscopy was used to observe the binding and unbinding of hapten decorated quantum dots to individual surface immobilized antibodies. The fluorescence time history from an individual antibody site can be used to calculate its binding affinity. While quantum dot blinking occurs during these measurements, we describe a simple empirical method to correct the apparent/observed affinity to account for the blinking contribution. The combination of many single molecule affinity measurements from different antibodies yields not only the average affinity, it directly measures the full shape and character of the surface affinity distribution function.

  5. Measuring an antibody affinity distribution molecule by molecule

    SciTech Connect

    Bradbury, Andrew M; Werner, James H; Temirov, Jamshid

    2008-01-01

    Single molecule fluorescence mIcroscopy was used to observe the binding and unbinding of hapten decorated quantum dots with individual surface immobilized antibodies. The fluorescence time history from an individual antibody site can be used to calculate its binding affinity. While quantum dot blinking occurs during these measurements, we describe a simple empirical method to correct the apparent/observed affinity to account for the blinking contribution. The combination of many single molecule affinity measurements from different antibodies yields not only the average affinity, it directly measures the full shape and character of the surface affinity distribution function.

  6. Cavity-QED enhancement of fluorescence yields in microdroplets

    SciTech Connect

    Barnes, M.D.; Whitten, W.B.; Ramsey, J.M.

    1993-12-31

    Measurements of the integrated fluorescence yield of Rhodamine 6G (R6G) in levitated microdroplets (4 to 16 {mu}m diameter) display a size dependence which is attributed to a decreased probability per excitation cycle of photochemical bleaching as a result of cavity-enhanced spontaneous emission rates. The average number of fluorescence photons detected per molecule in 4 {mu}m droplets (where emission rate enhancement has been previously demonstrated) is shown to be approximately a factor of 2 larger than the yield measured for larger droplets where emission rate enhancement does not occur. Within some simple approximations, these results suggest that essentially no emission rate inhibition occurs in this system. A mechanism based on spectral diffusion is postulated for the apparent absence of cavity-inhibited emission and is illustrated by Monte Carlo calculations using time-dependent lineshape functions.

  7. Ordered array of Ag semishells on different diameter monolayer polystyrene colloidal crystals: An ultrasensitive and reproducible SERS substrate.

    PubMed

    Yi, Zao; Niu, Gao; Luo, Jiangshan; Kang, Xiaoli; Yao, Weitang; Zhang, Weibin; Yi, Yougen; Yi, Yong; Ye, Xin; Duan, Tao; Tang, Yongjian

    2016-09-02

    Ag semishells (AgSS) ordered arrays for surface-enhanced Raman scattering (SERS) spectroscopy have been prepared by depositing Ag film onto polystyrene colloidal particle (PSCP) monolayer templates array. The diversified activity for SERS activity with the ordered AgSS arrays mainly depends on the PSCP diameter and Ag film thickness. The high SERS sensitivity and reproducibility are proved by the detection of rhodamine 6G (R6G) and 4-aminothiophenol (4-ATP) molecules. The prominent enhancements of SERS are mainly from the "V"-shaped or "U"-shaped nanogaps on AgSS, which are experimentally and theoretically investigated. The higher SERS activity, stability and reproducibility make the ordered AgSS a promising choice for practical SERS low concentration detection applications.

  8. Enhanced fluorescence yields through cavity quantum-electrodynamic effects in microdroplets

    SciTech Connect

    Barnes, M.D.; Whitten, W.B.; Ramsey, J.M. )

    1994-07-01

    Measurements of the integrated fluorescence yield per molecule of Rhodamine 6G (R6G) in 4--16-[mu]m-diameter levitated microdroplets show a size dependence that is attributed to a net increase in the fluorescence decay rate for the smaller (4--5-[mu]m) droplets. The average fluorescence yield in 4-[mu]m droplets (for which we have previously observed emission-rate enhancement) is approximately a factor of 2 larger than the yield measured for larger droplets for which emission-rate enhancement does not occur. These results suggest that there is little emission-rate inhibition in this system, even though the fluorescence emission spectrum overlaps several cavity resonances. A mechanism based on spectral diffusion is postulated for the apparent absence of cavity-inhibited emission and is illustrated by Monte Carlo calculations using time-dependent line-shape functions.

  9. Quantitative surface enhanced Raman scattering detection based on the ``sandwich'' structure substrate

    NASA Astrophysics Data System (ADS)

    Zhang, Junmeng; Qu, Shengchun; Zhang, Lisheng; Tang, Aiwei; Wang, Zhanguo

    2011-08-01

    A sandwich structured substrate was designed for quantitative molecular detection using surface enhanced Raman scattering (SERS), in which the probe molecule was sandwiched between silver nanoparticles (SNPs) and silver nanoarrays. The SNPs was prepared using Lee-Meisel method, and the silver nanoarrays was fabricated on porous anodic aluminum oxide (AAO) using electrodepositing method. The SERS studies show that the sandwich structured substrate exhibits good stability and reproducibility, and the detection sensitivity of Rhodamine 6G (R6G) and Melamine can respectively reach up to 10 -19 M and 10 -9 M, which is improved greatly as compared to other SERS substrates. The improved SERS sensitivity is closely associated with the stronger electromagnetic field enhancement, which stems from localized surface plasmon (LSP) coupling between the two silver nanostructures. Furthermore, the SERS intensity increased almost linearly as the mother concentration increased, which indicates that such a sandwich structure may be used as a good SERS substrate for quantitative analysis.

  10. Reusable three-dimensional nanostructured substrates for surface-enhanced Raman scattering

    PubMed Central

    2014-01-01

    To date, fabricating three-dimensional (3D) nanostructured substrate with small nanogap was a laborious challenge by conventional fabrication techniques. In this article, we address a simple, low-cost, large-area, and spatially controllable method to fabricate 3D nanostructures, involving hemisphere, hemiellipsoid, and pyramidal pits based on nanosphere lithography (NSL). These 3D nanostructures were used as surface-enhanced Raman scattering (SERS) substrates of single Rhodamine 6G (R6G) molecule. The average SERS enhancement factor achieved up to 1011. The inevitably negative influence of the adhesion-promoting intermediate layer of Cr or Ti was resolved by using such kind of 3D nanostructures. The nanostructured quartz substrate is a free platform as a SERS substrate and is nondestructive when altering with different metal films and is recyclable, which avoids the laborious and complicated fabricating procedures. PMID:24417892

  11. Preparation of graphene-Ag nanoparticles hybrids and their SERS activities

    NASA Astrophysics Data System (ADS)

    Wang, Xinyu; Wang, Ning; Gong, Tiancheng; Zhu, Yong; Zhang, Jie

    2016-11-01

    Surface-enhanced Raman scattering (SERS) substrates based on graphene and Ag nanoparticles hybrid structures with low cost, high uniformity were prepared by a standard process of immobilization of silver nanoparticles with 3-aminopropyltrimethoxysilane (APTMS). Thermal annealing was used for removing residual APTMS and adjusting the morphology of silver nanoparticles, and the effectiveness of this method was verified experimentally. The influence of annealing temperature, dipping duration, and APTMS volume on the distribution of Ag nanoparticles and Raman enhancement was investigated experimentally and analyzed in detail. Our samples were prepared under the preparation conditions of 10% ν/ν APTMS, dipping time of 48 h, annealing temperature of 450 °C, duration of 30 min, and Ar flow rate of 40 sccm. SERS activities with enhancement of 107 and relative standard deviation of <20% were observed using rhodamine 6G (R6G) as probe molecule with a concentration of 10-6 M and 10-7 M.

  12. Ordered array of Ag semishells on different diameter monolayer polystyrene colloidal crystals: An ultrasensitive and reproducible SERS substrate

    PubMed Central

    Yi, Zao; Niu, Gao; Luo, Jiangshan; Kang, Xiaoli; Yao, Weitang; Zhang, Weibin; Yi, Yougen; Yi, Yong; Ye, Xin; Duan, Tao; Tang, Yongjian

    2016-01-01

    Ag semishells (AgSS) ordered arrays for surface-enhanced Raman scattering (SERS) spectroscopy have been prepared by depositing Ag film onto polystyrene colloidal particle (PSCP) monolayer templates array. The diversified activity for SERS activity with the ordered AgSS arrays mainly depends on the PSCP diameter and Ag film thickness. The high SERS sensitivity and reproducibility are proved by the detection of rhodamine 6G (R6G) and 4-aminothiophenol (4-ATP) molecules. The prominent enhancements of SERS are mainly from the “V”-shaped or “U”-shaped nanogaps on AgSS, which are experimentally and theoretically investigated. The higher SERS activity, stability and reproducibility make the ordered AgSS a promising choice for practical SERS low concentration detection applications. PMID:27586562

  13. Ordered array of Ag semishells on different diameter monolayer polystyrene colloidal crystals: An ultrasensitive and reproducible SERS substrate.

    PubMed

    Yi, Zao; Niu, Gao; Luo, Jiangshan; Kang, Xiaoli; Yao, Weitang; Zhang, Weibin; Yi, Yougen; Yi, Yong; Ye, Xin; Duan, Tao; Tang, Yongjian

    2016-01-01

    Ag semishells (AgSS) ordered arrays for surface-enhanced Raman scattering (SERS) spectroscopy have been prepared by depositing Ag film onto polystyrene colloidal particle (PSCP) monolayer templates array. The diversified activity for SERS activity with the ordered AgSS arrays mainly depends on the PSCP diameter and Ag film thickness. The high SERS sensitivity and reproducibility are proved by the detection of rhodamine 6G (R6G) and 4-aminothiophenol (4-ATP) molecules. The prominent enhancements of SERS are mainly from the "V"-shaped or "U"-shaped nanogaps on AgSS, which are experimentally and theoretically investigated. The higher SERS activity, stability and reproducibility make the ordered AgSS a promising choice for practical SERS low concentration detection applications. PMID:27586562

  14. Ordered array of Ag semishells on different diameter monolayer polystyrene colloidal crystals: An ultrasensitive and reproducible SERS substrate

    NASA Astrophysics Data System (ADS)

    Yi, Zao; Niu, Gao; Luo, Jiangshan; Kang, Xiaoli; Yao, Weitang; Zhang, Weibin; Yi, Yougen; Yi, Yong; Ye, Xin; Duan, Tao; Tang, Yongjian

    2016-09-01

    Ag semishells (AgSS) ordered arrays for surface-enhanced Raman scattering (SERS) spectroscopy have been prepared by depositing Ag film onto polystyrene colloidal particle (PSCP) monolayer templates array. The diversified activity for SERS activity with the ordered AgSS arrays mainly depends on the PSCP diameter and Ag film thickness. The high SERS sensitivity and reproducibility are proved by the detection of rhodamine 6G (R6G) and 4-aminothiophenol (4-ATP) molecules. The prominent enhancements of SERS are mainly from the “V”-shaped or “U”-shaped nanogaps on AgSS, which are experimentally and theoretically investigated. The higher SERS activity, stability and reproducibility make the ordered AgSS a promising choice for practical SERS low concentration detection applications.

  15. Spectroscopic modeling of water molecule

    NASA Astrophysics Data System (ADS)

    Danylo, R. I.; Okhrimenko, B. A.

    2013-12-01

    This research is devoted to the vibrational spectroscopy inverse problem solution that gives a possibility to design a molecule and make conclusions about its geometry. The valence angle finding based on the usage of inverse spectral vibrational spectroscopy problem is a well-known task. 3N-matrix method was chosen to solve the proposed task. The usage of this method permits to make no assumptions about the molecule force field, besides it can be applied to molecules of matter in liquid state. Anharmonicity constants assessment is an important part of the valence angle finding. The reduction to zero vibrations is necessary because used matrix analytical expression were found in the harmonic approach. In order to find the single-valued inverse spectral problem of vibrational spectroscopy solution a shape parameter characterizing "mixing" of ω1 and ω2 vibrations forms must be found. The minimum of such a function Υ called a divergence parameter was found. This function characterizes method's accuracy. The valence angle assessment was reduced to the divergence parameter minimization. The β value concerning divergence parameter minimum was interpreted as the desired valence angle. The proposed method was applied for water molecule in liquid state: β = (88,8 ±1,7)° . The found angle fits the water molecule nearest surrounding tetrahedral model including hydrogen bond curvature in the first approximation.

  16. The entropies of adsorbed molecules.

    PubMed

    Campbell, Charles T; Sellers, Jason R V

    2012-10-31

    Adsorbed molecules are involved in many reactions on solid surface that are of great technological importance. As such, there has been tremendous effort worldwide to learn how to predict reaction rates and equilibrium constants for reactions involving adsorbed molecules. Theoretical calculation of both the rate and equilibrium constants for such reactions requires knowing the entropy and enthalpy of the adsorbed molecule. While much effort has been devoted to measuring and calculating the enthalpies of well-defined adsorbates, few measurements of the entropies of adsorbates have been reported. We present here a new way to determine the standard entropies of adsorbed molecules (S(ad)(0)) on single crystal surfaces from temperature programmed desorption data, prove its accuracy by comparison to entropies measured by equilibrium methods, and apply it to published data to extract new entropies. Most importantly, when combined with reported entropies, we find that at high coverage, they linearly track the entropy of the gas-phase molecule at the same temperature (T), such that S(ad)(0)(T) = 0.70 S(gas)(0)(T) - 3.3R (R = the gas constant), with a standard deviation of only 2R over a range of 50R. These entropies, which are ~2/3 of the gas, are huge compared to most theoretical predictions. This result can be extended to reliably predict prefactors in the Arrhenius rate constant for surface reactions involving such species, as proven here for desorption. PMID:23033909

  17. Electronic Transport in Organic Molecules

    NASA Astrophysics Data System (ADS)

    Tian, W.; Samanta, M. P.; Henderson, J. I.; Kubiak, C. P.; Datta, S.

    1996-03-01

    A systematic theoretical study of the conductance of a class of organic molecules connected between two gold cantact pads will be presented. This class of molecules consists of oligomers of benzene rings linked at their para-positions and terminated with suitable ligand end groups designed to bond to gold substrates. Such molecules are currently being investigated experimentally for use as interconnectors in nanoscale electronic devices (J.Guay et al, J.Am.Chem.Soc., 115,1869, (1993); M.Dorogi et al, Phys. Rev. B52,9071,(1995); D.B.Janes et al, Superlatt. and Microstruc., in press). Analytical and numerical results will be presented illustrating effects of Metal Induced Gap States (MIGS), end group atoms, geometric and molecular structure on the measured conductance.

  18. Formation of Ultracold Polar Molecules

    NASA Astrophysics Data System (ADS)

    Taylor-Juarros, E.; Côté, R.; Kirby, K.

    2002-05-01

    A variety of experimental techniques have been employed to create a number of ultracold molecules, including CaH, Na_2, K_2, Cs_2, Rb2 and CO. Novel effects are predicted to occur in samples of ultracold polar molecules.(L. Santos et al.), Phys. Rev. Lett. 85, 1791 (2000). We present calculations of the formation rate of ultracold hydrides (LiH, NaH, KH, RbH, and CsH), using the most accurate molecular potentials and dipole moments available. We show that these polar molecules can be produced in selected vibrational and rotational states by stimulated radiative association in a mixture of ultracold hydrogen and alkali metal atoms. We study the properties of these atomic mixtures as well as those of the hydrides, and explore the effect of shape resonances on the formation rates. [2ex] *Supported by NSF

  19. Proton affinities of hydrated molecules

    NASA Astrophysics Data System (ADS)

    Valadbeigi, Younes

    2016-09-01

    Proton affinities (PA) of non-hydrated, M, and hydrated forms, M(H2O)1,2,3, of 20 organic molecules including alcohols, ethers, aldehydes, ketones and amines were calculated by the B3LYP/6-311++G(d,p) method. For homogeneous families, linear correlations were observed between PAs of the M(H2O)1,2,3 and the PAs of the non-hydrated molecules. Also, the absolute values of the hydration enthalpies of the protonated molecules decreased linearly with the PAs. The correlation functions predicted that for an amine with PA < 1100 kJ/mol the PA(M(H2O)) is larger than the corresponding PA, while for an amine with PA > 1100 kJ/mol the PA(M(H2O)) is smaller than the PA.

  20. Interstellar molecules and dense clouds.

    NASA Technical Reports Server (NTRS)

    Rank, D. M.; Townes, C. H.; Welch, W. J.

    1971-01-01

    Current knowledge of the interstellar medium is discussed on the basis of recent published studies. The subjects considered include optical identification of interstellar molecules, radio molecular lines, interstellar clouds, isotopic abundances, formation and disappearance of interstellar molecules, and interstellar probing techniques. Diagrams are plotted for the distribution of galactic sources exhibiting molecular lines, for hydrogen molecule, hydrogen atom and electron abundances due to ionization, for the densities, velocities and temperature of NH3 in the direction of Sagitarius B2, for the lower rotational energy levels of H2CO, and for temporal spectral variations in masing H2O clouds of the radio source W49. Future applications of the maser and of molecular microscopy in this field are visualized.

  1. Ultrasensitive surface-enhanced Raman scattering detection in common fluids

    PubMed Central

    Yang, Shikuan; Dai, Xianming; Stogin, Birgitt Boschitsch; Wong, Tak-Sing

    2016-01-01

    Detecting target analytes with high specificity and sensitivity in any fluid is of fundamental importance to analytical science and technology. Surface-enhanced Raman scattering (SERS) has proven to be capable of detecting single molecules with high specificity, but achieving single-molecule sensitivity in any highly diluted solutions remains a challenge. Here we demonstrate a universal platform that allows for the enrichment and delivery of analytes into the SERS-sensitive sites in both aqueous and nonaqueous fluids, and its subsequent quantitative detection of Rhodamine 6G (R6G) down to ∼75 fM level (10−15 mol⋅L−1). Our platform, termed slippery liquid-infused porous surface-enhanced Raman scattering (SLIPSERS), is based on a slippery, omniphobic substrate that enables the complete concentration of analytes and SERS substrates (e.g., Au nanoparticles) within an evaporating liquid droplet. Combining our SLIPSERS platform with a SERS mapping technique, we have systematically quantified the probability, p(c), of detecting R6G molecules at concentrations c ranging from 750 fM (p > 90%) down to 75 aM (10−18 mol⋅L−1) levels (p ≤ 1.4%). The ability to detect analytes down to attomolar level is the lowest limit of detection for any SERS-based detection reported thus far. We have shown that analytes present in liquid, solid, or air phases can be extracted using a suitable liquid solvent and subsequently detected through SLIPSERS. Based on this platform, we have further demonstrated ultrasensitive detection of chemical and biological molecules as well as environmental contaminants within a broad range of common fluids for potential applications related to analytical chemistry, molecular diagnostics, environmental monitoring, and national security. PMID:26719413

  2. Ultrasensitive surface-enhanced Raman scattering detection in common fluids.

    PubMed

    Yang, Shikuan; Dai, Xianming; Stogin, Birgitt Boschitsch; Wong, Tak-Sing

    2016-01-12

    Detecting target analytes with high specificity and sensitivity in any fluid is of fundamental importance to analytical science and technology. Surface-enhanced Raman scattering (SERS) has proven to be capable of detecting single molecules with high specificity, but achieving single-molecule sensitivity in any highly diluted solutions remains a challenge. Here we demonstrate a universal platform that allows for the enrichment and delivery of analytes into the SERS-sensitive sites in both aqueous and nonaqueous fluids, and its subsequent quantitative detection of Rhodamine 6G (R6G) down to ∼75 fM level (10(-15) mol⋅L(-1)). Our platform, termed slippery liquid-infused porous surface-enhanced Raman scattering (SLIPSERS), is based on a slippery, omniphobic substrate that enables the complete concentration of analytes and SERS substrates (e.g., Au nanoparticles) within an evaporating liquid droplet. Combining our SLIPSERS platform with a SERS mapping technique, we have systematically quantified the probability, p(c), of detecting R6G molecules at concentrations c ranging from 750 fM (p > 90%) down to 75 aM (10(-18) mol⋅L(-1)) levels (p ≤ 1.4%). The ability to detect analytes down to attomolar level is the lowest limit of detection for any SERS-based detection reported thus far. We have shown that analytes present in liquid, solid, or air phases can be extracted using a suitable liquid solvent and subsequently detected through SLIPSERS. Based on this platform, we have further demonstrated ultrasensitive detection of chemical and biological molecules as well as environmental contaminants within a broad range of common fluids for potential applications related to analytical chemistry, molecular diagnostics, environmental monitoring, and national security. PMID:26719413

  3. Phase structure of soliton molecules

    NASA Astrophysics Data System (ADS)

    Hause, A.; Hartwig, H.; Seifert, B.; Stolz, H.; Böhm, M.; Mitschke, F.

    2007-06-01

    Temporal optical soliton molecules were recently demonstrated; they potentially allow further increase of data rates in optical telecommunication. Their binding mechanism relies on the internal phases, but these have not been experimentally accessible so far. Conventional frequency-resolved optical gating techniques are not suited for measurement of their phase profile: Their algorithms fail to converge due to zeros both in their temporal and their spectral profile. We show that the VAMPIRE (very advanced method of phase and intensity retrieval of E -fields) method performs reliably. With VAMPIRE the phase profile of soliton molecules has been measured, and further insight into the mechanism is obtained.

  4. Phase structure of soliton molecules

    SciTech Connect

    Hause, A.; Hartwig, H.; Seifert, B.; Stolz, H.; Boehm, M.; Mitschke, F.

    2007-06-15

    Temporal optical soliton molecules were recently demonstrated; they potentially allow further increase of data rates in optical telecommunication. Their binding mechanism relies on the internal phases, but these have not been experimentally accessible so far. Conventional frequency-resolved optical gating techniques are not suited for measurement of their phase profile: Their algorithms fail to converge due to zeros both in their temporal and their spectral profile. We show that the VAMPIRE (very advanced method of phase and intensity retrieval of E-fields) method performs reliably. With VAMPIRE the phase profile of soliton molecules has been measured, and further insight into the mechanism is obtained.

  5. Orbital molecules in electronic materials

    SciTech Connect

    Attfield, J. Paul

    2015-04-01

    Orbital molecules are made up of coupled orbital states on several metal ions within an orbitally ordered (and sometimes also charge-ordered) solid such as a transition metal oxide. Spin-singlet dimers are known in many materials, but recent discoveries of more exotic species such as 18-electron heptamers in AlV{sub 2}O{sub 4} and magnetic 3-atom trimerons in magnetite (Fe{sub 3}O{sub 4}) have shown that orbital molecules constitute a general new class of quantum electronic states in solids.

  6. Extracellular movement of signaling molecules

    PubMed Central

    Müller, Patrick; Schier, Alexander F.

    2011-01-01

    Extracellular signaling molecules have crucial roles in development and homeostasis, and their incorrect deployment can lead to developmental defects and disease states. Signaling molecules are released from sending cells, travel to target cells and act over length scales of several orders of magnitude, from morphogen-mediated patterning of small developmental fields to hormonal signaling throughout the organism. We discuss how signals are modified and assembled for transport, which routes they take to reach their targets and how their range is affected by mobility and stability. PMID:21763615

  7. Extracellular movement of signaling molecules.

    PubMed

    Müller, Patrick; Schier, Alexander F

    2011-07-19

    Extracellular signaling molecules have crucial roles in development and homeostasis, and their incorrect deployment can lead to developmental defects and disease states. Signaling molecules are released from sending cells, travel to target cells, and act over length scales of several orders of magnitude, from morphogen-mediated patterning of small developmental fields to hormonal signaling throughout the organism. We discuss how signals are modified and assembled for transport, which routes they take to reach their targets, and how their range is affected by mobility and stability.

  8. Piezoresistivity in single DNA molecules

    PubMed Central

    Bruot, Christopher; Palma, Julio L.; Xiang, Limin; Mujica, Vladimiro; Ratner, Mark A.; Tao, Nongjian

    2015-01-01

    Piezoresistivity is a fundamental property of materials that has found many device applications. Here we report piezoresistivity in double helical DNA molecules. By studying the dependence of molecular conductance and piezoresistivity of single DNA molecules with different sequences and lengths, and performing molecular orbital calculations, we show that the piezoresistivity of DNA is caused by force-induced changes in the π–π electronic coupling between neighbouring bases, and in the activation energy of hole hopping. We describe the results in terms of thermal activated hopping model together with the ladder-based mechanical model for DNA proposed by de Gennes. PMID:26337293

  9. Slow beams of massive molecules

    NASA Astrophysics Data System (ADS)

    Deachapunya, S.; Fagan, P. J.; Major, A. G.; Reiger, E.; Ritsch, H.; Stefanov, A.; Ulbricht, H.; Arndt, M.

    2008-02-01

    Slow beams of neutral molecules are of great interest for a wide range of applications, from cold chemistry through precision measurements to tests of the foundations of quantum mechanics. We report on the quantitative observation of thermal beams of perfluorinated macromolecules with masses up to 6000 amu, reaching velocities down to 11 m/s. Such slow, heavy and neutral molecular beams are of importance for a new class of experiments in matter-wave interferometry and we also discuss the requirements for further manipulation and cooling schemes with molecules in this unprecedented mass range.

  10. Photothermal light harvesting and light-gated molecular release by nanoporous gold disks

    NASA Astrophysics Data System (ADS)

    Santos, Greggy M.; Zhao, Fusheng; Zeng, Jianbo; Shih, Wei-Chuan

    2015-03-01

    Photothermal heating has been an effective mechanism for harvesting light energy by plasmonic resonance. Photothermally generated hyperthermia can alter cell behavior, change cell microenvironment, and promote or suppress cell growth. In the past, colloidal nanoparticles such as gold nanospheres, nanoshells, nanorods, and nanocages have been developed for various applications. Here, we show that nanoporous gold disks (NPGDs) with 400 nm diameter, 75 nm thickness, and 13 nm pores exhibit large specific surface area and effective photothermal light harvesting capability. Another potential application is demonstrated by light-gated, multi-step molecular release of pre-adsorbed R6G fluorescent dye on arrayed NPGDs. Through the use of time-resolved temperature mapping, the spatial and temporal characteristics of photothermal heating in NPGD arrays is successfully demonstrated for both aqueous and air ambient environments. By applying a thermodynamic model to our experimental data, we determined the photothermal conversion efficiency at 56% for NPGD arrays. As a potential application, light-gated, multi-stage release of pre-adsorbed R6G dye molecules from NPGD arrays has been demonstrated. The results establish the foundation that NPGDs can be employed for photothermal light harvesting and light-gated molecular release.

  11. Single-molecule analysis of ultradilute solutions with guided streams of 1-{mu}m water droplets

    SciTech Connect

    Kung, C.; Barnes, M.D.; Lermer, N.; Whitten, W.B.; Ramsey, J.M.

    1999-03-01

    We describe instrumentation for real-time detection of single-molecule fluorescence in guided streams of 1-{mu}m (nominal) water droplets. In this technique, target molecules were confined to droplets whose volumes were comparable with illumination volumes in diffraction-limited fluorescence microscopy and guided to the waist of a cw probe laser with an electrostatic potential. Concentration detection limits for Rhodamine 6G in water were determined to be {approximately}1 fM, roughly 3 orders of magnitude lower than corresponding limits determined recently with diffraction-limited microscopy techniques for a chemical separation of similar dyes. In addition to its utility as a vehicle for probing single molecules, instrumentation for producing and focusing stable streams of 1{endash}2-{mu}m-diameter droplets may have other important analytical applications as well. {copyright} 1999 Optical Society of America

  12. Monitoring Molecules: Insights and Progress

    PubMed Central

    2015-01-01

    In August, 2014, neuroscientists and physical scientists gathered together on the campus of the University of California, Los Angeles to discuss how to monitor molecules in neuroscience. This field has seen significant growth since its inception in the 1970s. Here, the advances in this field are documented, including its advance into understanding the actions that specific neurotransmitters mediate during behavior. PMID:25514501

  13. Nucleic Acids as Information Molecules.

    ERIC Educational Resources Information Center

    McInerney, Joseph D.

    1996-01-01

    Presents an activity that aims at enabling students to recognize that DNA and RNA are information molecules whose function is to store, copy, and make available the information in biological systems, without feeling overwhelmed by the specialized vocabulary and the minutia of the central dogma. (JRH)

  14. Ultrafast dynamics of single molecules.

    PubMed

    Brinks, Daan; Hildner, Richard; van Dijk, Erik M H P; Stefani, Fernando D; Nieder, Jana B; Hernando, Jordi; van Hulst, Niek F

    2014-04-21

    The detection of individual molecules has found widespread application in molecular biology, photochemistry, polymer chemistry, quantum optics and super-resolution microscopy. Tracking of an individual molecule in time has allowed identifying discrete molecular photodynamic steps, action of molecular motors, protein folding, diffusion, etc. down to the picosecond level. However, methods to study the ultrafast electronic and vibrational molecular dynamics at the level of individual molecules have emerged only recently. In this review we present several examples of femtosecond single molecule spectroscopy. Starting with basic pump-probe spectroscopy in a confocal detection scheme, we move towards deterministic coherent control approaches using pulse shapers and ultra-broad band laser systems. We present the detection of both electronic and vibrational femtosecond dynamics of individual fluorophores at room temperature, showing electronic (de)coherence, vibrational wavepacket interference and quantum control. Finally, two colour phase shaping applied to photosynthetic light-harvesting complexes is presented, which allows investigation of the persistent coherence in photosynthetic complexes under physiological conditions at the level of individual complexes. PMID:24473271

  15. Nonlinear Optical Properties of Molecules.

    NASA Astrophysics Data System (ADS)

    Elliott, Daniel Scott

    The measurement of the hyperpolarizabilities of atoms and molecules serves as a test of molecular wave function computational techniques. In this thesis, hyperpolarizabilities for the three processes dc electric-field induced second -harmonic generation, third-harmonic generation and intensity -dependent refractive index are determined. Measurements are performed on gases so that intermolecular interactions can be neglected. We have measured the third-order polarizability of the conjugated molecules ethylene, 1,3-butadiene, 1,3,5 -hexatriene, and benzene with the technique of dc electric -field induced second-harmonic generation. These experiments were motivated by recent theoretical results which indicated that the hyperpolarizabilities of two of these molecules were negative. Had this proven to be true, it would have been the first such case for a nonresonant hyperpolarizability. Our results for benzene are in good agreement with previous measurements made on benzene in the liquid phase, lending added confidence to the use of local field factors needed for that work. We also report results for the hyperpolarizabilities of chlorodifluoromethane. The third-order polarizability is in reasonable agreement with estimates by the bond additivity approximation. An examination of the electronic dispersion of and vibrational contributions to the third-order polarizability for various processes is presented. New data for the third -harmonic polarizability for the fluorinated methanes and sulfur hexafluoride is included. Currently, ab initio calculations of molecular hyperpolarizabilities do not include any consideration of vibrational motion of the molecule. Our estimates indicate that the vibrational contributions are very important in the case of the Kerr effect. This is an important matter of principle, and should be further investigated. We have also devised an interferometric technique for the measurement of the intensity-dependent dispersion in the refractive index

  16. Pair Tunneling through Single Molecules

    NASA Astrophysics Data System (ADS)

    Raikh, Mikhail

    2007-03-01

    Coupling to molecular vibrations induces a polaronic shift, and can lead to a negative charging energy, U. For negative U, the occupation of the ground state of the molecule is even. In this situation, virtual pair transitions between the molecule and the leads can dominate electron transport. At low temperature, T, these transitions give rise to the charge-Kondo effect [1]. We developed the electron transport theory through the negative-U molecule [2] at relatively high T, when the Kondo correlations are suppressed. Two physical ingredients distinguish our theory from the transport through a superconducting grain coupled to the normal leads [3]: (i) in parallel with sequential pair-tunneling processes, single-particle cotunneling processes take place; (ii) the electron pair on the molecule can be created (or annihilated) by two electrons tunneling in from (or out to) opposite leads. We found that, even within the rate-equation description, the behavior of differential conductance through the negative-U molecule as function of the gate voltage is quite peculiar: the height of the peak near the degeneracy point is independent of temperature, while its width is proportional to T. This is in contrast to the ordinary Coulomb-blockade conductance peak, whose integral strength is T-independent. At finite source-drain bias, V>>T, the width of the conductance peak is ˜V, whereas the conventional Coulomb-blockade peak at finite V splits into two sharp peaks at detunings V/2, and -V/2. Possible applications to the gate-controlled current rectification and switching will be discussed. [1] A. Taraphder and P. Coleman, Phys. Rev. Lett. 66, 2814 (1991). [2] J. Koch, M. E. Raikh, and F. von Oppen, Phys. Rev. Lett. 96, 056803 (2006). [3] F. W. J. Hekking, L. I. Glazman, K. A. Matveev, and R. I. Shekhter, Phys. Rev. Lett. 70, 4138 (1993).

  17. Localized atomic orbitals for atoms in molecules. III. Polyatomic molecules

    NASA Astrophysics Data System (ADS)

    Aufderheide, Keith H.; Chung-Phillips, Alice

    1982-02-01

    Using a previously described method, localized atomic orbitals (LAOs) for atoms in molecules are constructed for the atoms C, N, O, and F in the polyatomic molecules CH4, NH3, OH2, CH3CH3, CH3NH2, CH3OH, CH3F, CH2CH2, C6H6, CO2, and CHCH. As in our prior studies, LAOs partition into sets of core, lone pair, and bonding orbitals. Ordinarily, both core and lone pair LAOs are doubly occupied and bonding is described principally as the interaction of bonding LAOs on adjacent, bonded atoms. Angles between valence LAOs on a given atom continue to vary in a manner reminiscent of trends common to simple valence shell electron pair repulsion theory. Of special interest are the systems CO2, C6H6, and CH3F: The peculiarities germane to these molecules are discussed fully in the text. Finally, certain properties (orbital populations, intra-atomic orbital angles, etc.) of groups (-CH3, -NH2, -OH, etc.) common to several systems studied show a remarkable transferability.

  18. Investigation of Changes in the Microscopic Structure of Anionic Poly(N-isopropylacrylamide-co-Acrylic acid) Microgels in the Presence of Cationic Organic Dyes toward Precisely Controlled Uptake/Release of Low-Molecular-Weight Chemical Compound.

    PubMed

    Kureha, Takuma; Shibamoto, Takahisa; Matsui, Shusuke; Sato, Takaaki; Suzuki, Daisuke

    2016-05-10

    Changes in a microscopic structure of an anionic poly(N-isopropylacrylamide-co-acrylic acid) microgel were investigated using small- and wide-angle X-ray scattering (SWAXS). The scattering profiles of the microgels were analyzed in a wide scattering vector (q) range of 0.07 ≤ q/nm(-1) ≤ 20. In particular, the microscopic structure of the microgel in the presence of a cationic dye rhodamine 6G (R6G) was characterized in terms of its correlation length (ξ), which represents the length scale of the spatial correlation of the network density fluctuations, and characteristic distance (d*), which originated from the local packing of isopropyl groups of two neighboring chains. In the presence of cationic R6G, ξ exhibited a divergent-like behavior, which was not seen in the absence of R6G, and d* was decreased with decreasing the volume of the microgel upon increasing temperature. At the same time, the amount of R6G adsorbed per unit mass of the microgel increased upon heating. These results suggested that a coil-to-globule transition of the poly(N-isopropylacrylamide) chains in the present anionic microgel occurred because of efficiently screened, thus, short ranged electrostatic repulsion between the charged groups, and hydrophobic interaction between the isopropyl groups in the presence of cationic R6G. The combination of hydrophobic and electrostatic interaction between the cationic dye and the microgel affected the separation and volume transition behavior of the microgel. PMID:27101468

  19. Contribution of oligomer/carbon dots hybrid semiconductor nanoribbon to surface-enhanced Raman scattering property

    NASA Astrophysics Data System (ADS)

    Zhang, Guiyang; Hu, Lin; Zhu, Kerong; Yan, Manqing; Liu, Jian; Yang, Jiaxiang; Bi, Hong

    2016-02-01

    The hybrid Ag-(PS-PSS)/C-dots nanobelts (NBs) have been prepared by decorating Ag nanoparticles (NPs) on surface of the ultra-long, semiconducting (PS-PSS)/C-dots nanoribbons (NRs) via an electroless plating method. The as-prepared Ag-(PS-PSS)/C-dots NB has been demonstrated to be an excellent substrate for surface-enhanced Raman scattering (SERS) with a detection limit of 10-14 M and an enhancement factor of 3.35 × 108 while using rhodamine 6G as probe molecules. Moreover, we have investigated the application of Ag-(PS-PSS)/C-dots NBs as SERS substrate for detection of coumarins. Further, the Ag-(PS-PSS)/C-dots NB could be used as a sacrificial template to form a novel kind of hollow porous Ag nanotubes (NTs) by simply removing the inner NR in tetrahydrofuran. However, the obtained Ag NTs show a weaker SERS effect compared to that of the Ag-(PS-PSS)/C-dots NBs, which indicates that the inner organic/C-dots NR plays an essential role in SERS property of the Ag-(PS-PSS)/C-dots NBs. Here the organic (PS-PSS)/C-dots NR not only acts as a dielectric support for Ag NPs to reduce the surface plasmon damping at the Ag-NR interface due to the high electrical conductivity but also their large surface area are favorable for creating more "hot-spots". In addition, the embedded sp2-hybridized C-dots in NR can adsorb more aromatic R6G molecules via π-π interaction, which also drives R6G molecules approaching to the "hot-spots", thus enhancing the SERS signals. Based on our results, it is believed that the employment of semiconducting organic (PS-PSS)/C-dots ribbon-like structures to fabricate sensitive SERS substrates is an interesting new approach.

  20. Optical highlighter molecules in neurobiology.

    PubMed

    Datta, Sandeep Robert; Patterson, George H

    2012-02-01

    The development of advanced optical methods has played a key role in propelling progress in neurobiology. Genetically-encoded fluorescent molecules found in nature have enabled labeling of individual neurons to study their physiology and anatomy. Here we discuss the recent use of both native and synthetic optical highlighter proteins to address key problems in neurobiology, including questions relevant to synaptic function, neuroanatomy, and the organization of neural circuits.

  1. Vertically coupled dipolar exciton molecules

    NASA Astrophysics Data System (ADS)

    Cohen, Kobi; Khodas, Maxim; Laikhtman, Boris; Santos, Paulo V.; Rapaport, Ronen

    2016-06-01

    While the interaction potential between two dipoles residing in a single plane is repulsive, in a system of two vertically adjacent layers of dipoles it changes from repulsive interaction in the long range to attractive interaction in the short range. Here we show that for dipolar excitons in semiconductor heterostructures, such a potential may give rise to bound states if two such excitons are excited in two separate layers, leading to the formation of vertically coupled dipolar exciton molecules. Our calculations prove the existence of such bound states and predict their binding energy as a function of the layers separation as well as their thermal distributions. We show that these molecules should be observed in realistic systems such as semiconductor coupled quantum well structures and the more recent van der Waals bound heterostructures. Formation of such molecules can lead to new effects such as a collective dipolar drag between layers and new forms of multiparticle correlations, as well as to the study of dipolar molecular dynamics in a controlled system.

  2. Simple molecules as complex systems.

    PubMed

    Furtenbacher, Tibor; Arendás, Péter; Mellau, Georg; Császár, Attila G

    2014-01-01

    For individual molecules quantum mechanics (QM) offers a simple, natural and elegant way to build large-scale complex networks: quantized energy levels are the nodes, allowed transitions among the levels are the links, and transition intensities supply the weights. QM networks are intrinsic properties of molecules and they are characterized experimentally via spectroscopy; thus, realizations of QM networks are called spectroscopic networks (SN). As demonstrated for the rovibrational states of H2(16)O, the molecule governing the greenhouse effect on earth through hundreds of millions of its spectroscopic transitions (links), both the measured and first-principles computed one-photon absorption SNs containing experimentally accessible transitions appear to have heavy-tailed degree distributions. The proposed novel view of high-resolution spectroscopy and the observed degree distributions have important implications: appearance of a core of highly interconnected hubs among the nodes, a generally disassortative connection preference, considerable robustness and error tolerance, and an "ultra-small-world" property. The network-theoretical view of spectroscopy offers a data reduction facility via a minimum-weight spanning tree approach, which can assist high-resolution spectroscopists to improve the efficiency of the assignment of their measured spectra.

  3. Simple molecules as complex systems

    PubMed Central

    Furtenbacher, Tibor; Árendás, Péter; Mellau, Georg; Császár, Attila G.

    2014-01-01

    For individual molecules quantum mechanics (QM) offers a simple, natural and elegant way to build large-scale complex networks: quantized energy levels are the nodes, allowed transitions among the levels are the links, and transition intensities supply the weights. QM networks are intrinsic properties of molecules and they are characterized experimentally via spectroscopy; thus, realizations of QM networks are called spectroscopic networks (SN). As demonstrated for the rovibrational states of H216O, the molecule governing the greenhouse effect on earth through hundreds of millions of its spectroscopic transitions (links), both the measured and first-principles computed one-photon absorption SNs containing experimentally accessible transitions appear to have heavy-tailed degree distributions. The proposed novel view of high-resolution spectroscopy and the observed degree distributions have important implications: appearance of a core of highly interconnected hubs among the nodes, a generally disassortative connection preference, considerable robustness and error tolerance, and an “ultra-small-world” property. The network-theoretical view of spectroscopy offers a data reduction facility via a minimum-weight spanning tree approach, which can assist high-resolution spectroscopists to improve the efficiency of the assignment of their measured spectra. PMID:24722221

  4. Intensification of surface enhanced Raman scattering of thiol-containing molecules using Ag@Au core@shell nanoparticles

    NASA Astrophysics Data System (ADS)

    Singh, Prerna; Thuy, Nguyen T. B.; Aoki, Yoshiya; Mott, Derrick; Maenosono, Shinya

    2011-05-01

    In this paper, we study the relationship between nanoparticles' structure/composition and the chemical nature of the molecules to be identified in surface enhanced Raman scattering (SERS) spectroscopy. Three types of nanoparticles (NPs) were synthesized, including Ag, Au, and silver coated by gold (Ag@Au), in order to study the resulting enhancement effects. When a rhodamine 6G dye molecule was used to assemble the NPs, it was found that Ag NPs exhibited the highest enhancement activity. However, when a thiol containing 3-amino-1,2,4-triazole-5-thiol molecule was used to assemble the NPs, it was found that the Ag@Au NPs exhibited high Raman activity as well as the Ag NPs. The results give insight into how the chemical properties of the molecules to be analyzed play an important role in the SERS detection. An additional parameter of the analysis reveals the relative stability of the three types of NP probes synthesized with regard to oxidation in the presence of different mediating molecules and varying salt concentrations. The results are of interest in designing and employing NP probes to detect biological molecules using colorimetric and SERS based approaches.

  5. Hyper-Rayleigh scattering and hyper-Raman scattering of dye-adsorbed silver nanoparticles induced by a focused continuous-wave near-infrared laser

    SciTech Connect

    Itoh, Tamitake; Ozaki, Yukihiro; Yoshikawa, Hiroyuki; Ihama, Takashi; Masuhara, Hiroshi

    2006-02-20

    We report that hyper-Rayleigh scattering, surface-enhanced hyper-Raman scattering, and two-photon excited luminescence occur intermittently by focusing a continuous-wave near-infrared (cw-NIR) laser into a colloidal silver solution including rhodamine 6G (R6G) and sodium chloride (NaCl). On the other hand, continuous hyper-Rayleigh scattering is observed from colloidal silver free from R6G and NaCl, demonstrating that hyper-Raman scattering and two-photon excited luminescence are attributed to R6G and their intermittent features are dependent on the colloidal dispersion. These results suggest that the cw-NIR laser has three roles; the source of the nonlinear response, optical trapping of nanoparticles, and making nanoparticle aggregates possessing the high activity for the nonlinear response.

  6. Water molecules orientation in surface layer

    NASA Astrophysics Data System (ADS)

    Klingo, V. V.

    2000-08-01

    The water molecules orientation has been investigated theoretically in the water surface layer. The surface molecule orientation is determined by the direction of a molecule dipole moment in relation to outward normal to the water surface. Entropy expressions of the superficial molecules in statistical meaning and from thermodynamical approach to a liquid surface tension have been found. The molecules share directed opposite to the outward normal that is hydrogen protons inside is equal 51.6%. 48.4% water molecules are directed along to surface outward normal that is by oxygen inside. A potential jump at the water surface layer amounts about 0.2 volts.

  7. Optical techniques for nanoscale probing and chemical detection in aqueous environments

    NASA Astrophysics Data System (ADS)

    Pristinski, Denis

    substrates from aqueous solution. We have shown that the coverage density of Ag nanoparticles on the glass substrates correlates with the amount of adsorbed PAH. The SERS-active substrates were robust and stable in 0.5 M NaCl solutions, as well in extreme acidic and basic conditions. Rhodamine 6G dye (R6G) was chosen as a model molecule for SERS spectra acquisition. The glass substrates with immobilized non-aggregated Ag nanoparticles exhibited SERS enhancement and provided in situ detection sensitivity of R6G at 5 ppt level, with estimated surface coverage of 2 to 4 R6G molecules per silver particle. The results will improve the design of SERS-active photonic crystal fibers for highly sensitive chemical and biological detection.

  8. DUO: Spectra of diatomic molecules

    NASA Astrophysics Data System (ADS)

    Yurchenko, Sergei N.; Lodi, Lorenzo; Tennyson, Jonathan; Stolyarov, Andrey V.

    2016-05-01

    Duo computes rotational, rovibrational and rovibronic spectra of diatomic molecules. The software, written in Fortran 2003, solves the Schrödinger equation for the motion of the nuclei for the simple case of uncoupled, isolated electronic states and also for the general case of an arbitrary number and type of couplings between electronic states. Possible couplings include spin-orbit, angular momenta, spin-rotational and spin-spin. Introducing the relevant couplings using so-called Born-Oppenheimer breakdown curves can correct non-adiabatic effects.

  9. XUV ionization of aligned molecules

    NASA Astrophysics Data System (ADS)

    Kelkensberg, F.; Rouzée, A.; Siu, W.; Gademann, G.; Johnsson, P.; Lucchini, M.; Lucchese, R. R.; Vrakking, M. J. J.

    2011-11-01

    New extreme-ultraviolet (XUV) light sources such as high-order-harmonic generation (HHG) and free-electron lasers (FELs), combined with laser-induced alignment techniques, enable novel methods for making molecular movies based on measuring molecular frame photoelectron angular distributions. Experiments are presented where CO2 molecules were impulsively aligned using a near-infrared laser and ionized using femtosecond XUV pulses obtained by HHG. Measured electron angular distributions reveal contributions from four orbitals and the onset of the influence of the molecular structure.

  10. XUV ionization of aligned molecules

    SciTech Connect

    Kelkensberg, F.; Siu, W.; Gademann, G.; Rouzee, A.; Vrakking, M. J. J.; Johnsson, P.; Lucchini, M.; Lucchese, R. R.

    2011-11-15

    New extreme-ultraviolet (XUV) light sources such as high-order-harmonic generation (HHG) and free-electron lasers (FELs), combined with laser-induced alignment techniques, enable novel methods for making molecular movies based on measuring molecular frame photoelectron angular distributions. Experiments are presented where CO{sub 2} molecules were impulsively aligned using a near-infrared laser and ionized using femtosecond XUV pulses obtained by HHG. Measured electron angular distributions reveal contributions from four orbitals and the onset of the influence of the molecular structure.

  11. DUO: Spectra of diatomic molecules

    NASA Astrophysics Data System (ADS)

    Yurchenko, Sergei N.; Lodi, Lorenzo; Tennyson, Jonathan; Stolyarov, Andrey V.

    2016-05-01

    Duo computes rotational, rovibrational and rovibronic spectra of diatomic molecules. The software, written in Fortran 2003, solves the Schrödinger equation for the motion of the nuclei for the simple case of uncoupled, isolated electronic states and also for the general case of an arbitrary number and type of couplings between electronic states. Possible couplings include spin–orbit, angular momenta, spin-rotational and spin–spin. Introducing the relevant couplings using so-called Born–Oppenheimer breakdown curves can correct non-adiabatic effects.

  12. Nanoelectronics of a DNA molecule

    NASA Astrophysics Data System (ADS)

    Albuquerque, E. L.; Fulco, U. L.; Caetano, E. W. S.; Freire, V. N.; Lyra, M. L.; Moura, F. A. B. F.

    2014-03-01

    We investigate the nanoelectronic properties of a double-strand quasiperiodic DNA molecule, modeled by a tight-binding effective Hamiltonian, which includes contributions from the nucleobasis system as well as the sugar-phosphate backbone. Our theoretical approach makes use of Dyson's equation together with a transfer-matrix treatment, to investigate the electronic density of states, the electronic transmissivity, and the current-voltage characteristic curves of sequences of a DNA finite segment.We compared the electronic transport found for the quasiperiodic structure to those using a sequence of natural DNA, as part of the human chromosome Ch22.

  13. L1 CELL ADHESION MOLECULE SIGNALING IS INHIBITED BY ETHANOL IN VIVO

    PubMed Central

    Littner, Yoav; Tang, Ningfeng; He, Min; Bearer, Cynthia F.

    2012-01-01

    Background Fetal alcohol spectrum disorder is an immense public health problem. In vitro studies support the hypothesis that L1 cell adhesion molecule (L1) is a target for ethanol developmental neurotoxicity. L1 is critical for the development of the central nervous system. It functions through signal transduction leading to phosphorylation and dephosphorylation of tyrosines on its cytoplasmic domain. The function of L1 is also dependent on trafficking through lipid rafts. Our hypothesis is that L1 is a target for ethanol neurotoxicity in vivo. Our objective is to demonstrate changes in L1 phosphorylation/dephosphorylation and lipid raft association in vivo. Methods Rat pups on postnatal day 6 are administered 4.5, 5.25 and 6 g/kg of ethanol divided into 2 doses 2 hours apart, then sacrificed. Cerebella are rapidly frozen for assay. Blood is analyzed for blood ethanol concentration. L1 tyrosine phosphorylation is determined by immunoprecipitation and dephosphorylation of tyrosine 1176 determined by immunoblot. Lipid rafts are isolated by sucrose density gradient and the distribution of L1 in lipid rafts is determined. Results Ethanol at all doses reduced the relative amount of Y1176 dephosphorylation as well as the relative amount of L1 phosphorylated on other tyrosines. The proportion of L1 present in lipid rafts is significantly increased in pups who received 6 g/kg ethanol compared to intubated controls. Conclusions L1 is a target for ethanol developmental neurotoxicity in vivo. PMID:23050935

  14. Metal/molecule interfaces: Dispersion forces unveiled

    NASA Astrophysics Data System (ADS)

    van Ruitenbeek, Jan

    2012-10-01

    The role of dispersion forces in molecule-metal bonding has often been underestimated or ignored. Two groups now report independent single-molecule experiments that illustrate and quantify the effect of such interactions on bonding strength.

  15. Spin squeezing a cold molecule

    NASA Astrophysics Data System (ADS)

    Bhattacharya, M.

    2015-12-01

    In this article we present a concrete proposal for spin squeezing the cold ground-state polar paramagnetic molecule OH, a system currently under fine control in the laboratory. In contrast to existing work, we consider a single, noninteracting molecule with angular momentum greater than 1 /2 . Starting from an experimentally relevant effective Hamiltonian, we identify an adiabatic regime where different combinations of static electric and magnetic fields can be used to realize the single-axis twisting Hamiltonian of Kitagawa and Ueda [M. Kitagawa and M. Ueda, Phys. Rev. A 47, 5138 (1993), 10.1103/PhysRevA.47.5138], the uniform field Hamiltonian proposed by Law et al. [C. K. Law, H. T. Ng, and P. T. Leung, Phys. Rev. A 63, 055601 (2001), 10.1103/PhysRevA.63.055601], and a model of field propagation in a Kerr medium considered by Agarwal and Puri [G. S. Agarwal and R. R. Puri, Phys. Rev. A 39, 2969 (1989), 10.1103/PhysRevA.39.2969]. We then consider the situation in which nonadiabatic effects are quite large and show that the effective Hamiltonian supports spin squeezing even in this case. We provide analytical expressions as well as numerical calculations, including optimization of field strengths and accounting for the effects of field misalignment. Our results have consequences for applications such as precision spectroscopy, techniques such as magnetometry, and stereochemical effects such as the orientation-to-alignment transition.

  16. Characterization of Interstellar Organic Molecules

    SciTech Connect

    Gencaga, Deniz; Knuth, Kevin H.; Carbon, Duane F.

    2008-11-06

    Understanding the origins of life has been one of the greatest dreams throughout history. It is now known that star-forming regions contain complex organic molecules, known as Polycyclic Aromatic Hydrocarbons (PAHs), each of which has particular infrared spectral characteristics. By understanding which PAH species are found in specific star-forming regions, we can better understand the biochemistry that takes place in interstellar clouds. Identifying and classifying PAHs is not an easy task: we can only observe a single superposition of PAH spectra at any given astrophysical site, with the PAH species perhaps numbering in the hundreds or even thousands. This is a challenging source separation problem since we have only one observation composed of numerous mixed sources. However, it is made easier with the help of a library of hundreds of PAH spectra. In order to separate PAH molecules from their mixture, we need to identify the specific species and their unique concentrations that would provide the given mixture. We develop a Bayesian approach for this problem where sources are separated from their mixture by Metropolis Hastings algorithm. Separated PAH concentrations are provided with their error bars, illustrating the uncertainties involved in the estimation process. The approach is demonstrated on synthetic spectral mixtures using spectral resolutions from the Infrared Space Observatory (ISO). Performance of the method is tested for different noise levels.

  17. Hydrophobic Porous Material Adsorbs Small Organic Molecules

    NASA Technical Reports Server (NTRS)

    Sharma, Pramod K.; Hickey, Gregory S.

    1994-01-01

    Composite molecular-sieve material has pore structure designed specifically for preferential adsorption of organic molecules for sizes ranging from 3 to 6 angstrom. Design based on principle that contaminant molecules become strongly bound to surface of adsorbent when size of contaminant molecules is nearly same as that of pores in adsorbent. Material used to remove small organic contaminant molecules from vacuum systems or from enclosed gaseous environments like closed-loop life-support systems.

  18. Time scales for molecule formation by ion-molecule reactions

    NASA Technical Reports Server (NTRS)

    Langer, W. D.; Glassgold, A. E.

    1976-01-01

    Analytical solutions are obtained for nonlinear differential equations governing the time-dependence of molecular abundances in interstellar clouds. Three gas-phase reaction schemes are considered separately for the regions where each dominates. The particular case of CO, and closely related members of the Oh and CH families of molecules, is studied for given values of temperature, density, and the radiation field. Nonlinear effects and couplings with particular ions are found to be important. The time scales for CO formation range from 100,000 to a few million years, depending on the chemistry and regime. The time required for essentially complete conversion of C(+) to CO in the region where the H3(+) chemistry dominates is several million years. Because this time is longer than or comparable to dynamical time scales for dense interstellar clouds, steady-state abundances may not be observed in such clouds.

  19. Comparative Fluorescence Resonance Energy-Transfer Study in Pluronic Triblock Copolymer Micelle and Niosome Composed of Biological Component Cholesterol: An Investigation of Effect of Cholesterol and Sucrose on the FRET Parameters.

    PubMed

    Roy, Arpita; Kundu, Niloy; Banik, Debasis; Sarkar, Nilmoni

    2016-01-14

    The formation of pluronic triblock copolymer (F127)-cholesterol-based niosome and its interaction with sugar (sucrose) molecules have been investigated. The morphology of F127-cholesterol -based niosome in the presence of sucrose has been successfully demonstrated using dynamic light scattering (DLS) and transmission electron microscopic (TEM) techniques. The DLS profiles and TEM images clearly suggest that the size of the niosome aggregates increases significantly in the presence of sucrose. In addition to structural characterization, a detailed comparative fluorescence resonance energy transfer (FRET) study has been carried out in these F127-containing aggregates, involving coumarin 153 (C153) as donor (D) and rhodamine 6G (R6G) as an acceptor (A) to monitor the dynamic heterogeneity of the systems. Besides, time-resolved anisotropy and fluorescence correlation spectroscopy measurements have been carried out to monitor the rotational and lateral diffusion motion in these F127-cholesterol-based aggregates using C153 and R6G, respectively. During the course of FRET study, we have observed multiple time constants of FRET inside the F127-cholesterol-based niosomes in contrast with the F127 micelle. This corresponds to the presence of more than one preferential donor-acceptor (D-A) distance in niosomes than in F127 micelle. FRET has also been successfully used to probe the effect of sucrose on the morphology of F127-cholesterol-based niosome. In the presence of sucrose, the time constant of FRET further increases as the D-A distances increase in sucrose-decorated niosome. Finally, the excitation-wavelength-dependent FRET studies have indicated that as the excitation of donor molecules varies from 408 to 440 nm the contribution of the faster rise component of the acceptor enhances considerably, which clearly establishes the dynamics heterogeneity of both systems. Our findings also indicate that FRET is completely intravesicular in nature in these block copolymer

  20. Comparative Fluorescence Resonance Energy-Transfer Study in Pluronic Triblock Copolymer Micelle and Niosome Composed of Biological Component Cholesterol: An Investigation of Effect of Cholesterol and Sucrose on the FRET Parameters.

    PubMed

    Roy, Arpita; Kundu, Niloy; Banik, Debasis; Sarkar, Nilmoni

    2016-01-14

    The formation of pluronic triblock copolymer (F127)-cholesterol-based niosome and its interaction with sugar (sucrose) molecules have been investigated. The morphology of F127-cholesterol -based niosome in the presence of sucrose has been successfully demonstrated using dynamic light scattering (DLS) and transmission electron microscopic (TEM) techniques. The DLS profiles and TEM images clearly suggest that the size of the niosome aggregates increases significantly in the presence of sucrose. In addition to structural characterization, a detailed comparative fluorescence resonance energy transfer (FRET) study has been carried out in these F127-containing aggregates, involving coumarin 153 (C153) as donor (D) and rhodamine 6G (R6G) as an acceptor (A) to monitor the dynamic heterogeneity of the systems. Besides, time-resolved anisotropy and fluorescence correlation spectroscopy measurements have been carried out to monitor the rotational and lateral diffusion motion in these F127-cholesterol-based aggregates using C153 and R6G, respectively. During the course of FRET study, we have observed multiple time constants of FRET inside the F127-cholesterol-based niosomes in contrast with the F127 micelle. This corresponds to the presence of more than one preferential donor-acceptor (D-A) distance in niosomes than in F127 micelle. FRET has also been successfully used to probe the effect of sucrose on the morphology of F127-cholesterol-based niosome. In the presence of sucrose, the time constant of FRET further increases as the D-A distances increase in sucrose-decorated niosome. Finally, the excitation-wavelength-dependent FRET studies have indicated that as the excitation of donor molecules varies from 408 to 440 nm the contribution of the faster rise component of the acceptor enhances considerably, which clearly establishes the dynamics heterogeneity of both systems. Our findings also indicate that FRET is completely intravesicular in nature in these block copolymer

  1. Visualization of large elongated DNA molecules.

    PubMed

    Lee, Jinyong; Kim, Yongkyun; Lee, Seonghyun; Jo, Kyubong

    2015-09-01

    Long and linear DNA molecules are the mainstream single-molecule analytes for a variety of biochemical analysis within microfluidic devices, including functionalized surfaces and nanostructures. However, for biochemical analysis, large DNA molecules have to be unraveled, elongated, and visualized to obtain biochemical and genomic information. To date, elongated DNA molecules have been exploited in the development of a number of genome analysis systems as well as for the study of polymer physics due to the advantage of direct visualization of single DNA molecule. Moreover, each single DNA molecule provides individual information, which makes it useful for stochastic event analysis. Therefore, numerous studies of enzymatic random motions have been performed on a large elongated DNA molecule. In this review, we introduce mechanisms to elongate DNA molecules using microfluidics and nanostructures in the beginning. Secondly, we discuss how elongated DNA molecules have been utilized to obtain biochemical and genomic information by direct visualization of DNA molecules. Finally, we reviewed the approaches used to study the interaction of proteins and large DNA molecules. Although DNA-protein interactions have been investigated for many decades, it is noticeable that there have been significant achievements for the last five years. Therefore, we focus mainly on recent developments for monitoring enzymatic activity on large elongated DNA molecules.

  2. Ultrafast electron diffraction from aligned molecules

    SciTech Connect

    Centurion, Martin

    2015-08-17

    The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

  3. Analytical design of soliton molecules in fibers

    NASA Astrophysics Data System (ADS)

    Moubissi, A.-B.; Nse Biyoghe, S.; Mback, C. B. L.; Ekogo, T. B.; Ben-Bolie, G. H.; Kofane, T. C.; Tchofo Dinda, P.

    2016-09-01

    We present an analytical method for designing fiber systems for a highly stable propagation of soliton molecules. This analytical design uses the variational equations of the soliton molecule to determine the parameters of the most suitable fiber system for any desired soliton, thus reducing dramatically the cost of the whole procedure of design, for both the appropriate fiber system and the desired soliton molecule.

  4. Laboratory studies of astrophysical molecules

    NASA Astrophysics Data System (ADS)

    Wang, Haiyan

    There is growing evidence that the molecules necessary for the evolution of life on earth arrived from the interstellar medium. The study of these molecules is therefore of great current interest. Two major types of signals from interstellar space, so-called unidentified interstellar infrared emission bands and the diffuse interstellar absorption bands, have intrigued and puzzled astrochemists for decades. This work has been concentrated on how to contribute to an understanding of the origins of these perplexing signals from space and help identify other molecules that may exist in outer space. Matrix isolation spectroscopy (infrared and ultraviolet-visible) combined with theoretical calculations has been employed throughout this research. Fourier transform infrared absorption spectroscopic measurements, aided by theoretical calculations and 13 C-isotope shifts, have led to the identification of eight heretofore unknown C n S m clusters: C 2 S, C 6 S, C 7 S, C 7 S 2 , C 9 S 2 , C 11 S 2 , C 13 S 2 , and C 15 S 2 . Infrared absorption studies of xenon polycarbon clusters aid in understanding the special electronic structure and reactivity of carbon clusters, which might be associated with the formation mechanism of Buckyball (C 60 ). Reaction of C3 with benzene and ammonia might be involved in the formation of more complex molecular structures, including polycyclic aromatic hydrocarbons (PAHs) and biomolecules such as the amino acids. High resolution vibrational and electronic spectra of neutral dibenzo [b,def]chrysene and its ions in 12 K argon matrices have been recorded. Spectral assignments were supported by high level theoretical calculations. A mixture of the neutral and ionic infrared spectra of dibenzo[b,def]chrysene resembles the unidentified IR bands in the reflection nebula NGC 7023. Anharmonic frequency calculations for neutral and cationic naphthalene, phenanthrene and anthracene using density functional theory have been carried out for the first time

  5. Nonadiabatic calculations on hydrogen molecule

    NASA Astrophysics Data System (ADS)

    Komasa, Jacek; Pachucki, Krzysztof

    Since its infancy quantum mechanics has treated hydrogen molecule as a test bed. Contemporary spectroscopy is able to supply the dissociation energy (D0) of H2 with the accuracy of 3 . 7 .10-4cm-1 , while current theoretical predictions are 10-3cm-1 in error. Both the uncertainties are already smaller than the quantum electrodynamic (QED) effects contributing to D0, which poses a particular challenge to theoreticians. Undoubtedly, in order to increase the predictive power of theory one has to not only account for the multitude of the tiny relativistic and QED effects but, especially, significantly increase precision of the largest component of D0--the nonrelativistic contribution. We approach the problem of solving the Schroedinger equation, equipped with new methodology, with the target precision of D0 set at the level of 10-7cm-1 .

  6. Photoluminescence of a Plasmonic Molecule.

    PubMed

    Huang, Da; Byers, Chad P; Wang, Lin-Yung; Hoggard, Anneli; Hoener, Ben; Dominguez-Medina, Sergio; Chen, Sishan; Chang, Wei-Shun; Landes, Christy F; Link, Stephan

    2015-07-28

    Photoluminescent Au nanoparticles are appealing for biosensing and bioimaging applications because of their non-photobleaching and non-photoblinking emission. The mechanism of one-photon photoluminescence from plasmonic nanostructures is still heavily debated though. Here, we report on the one-photon photoluminescence of strongly coupled 50 nm Au nanosphere dimers, the simplest plasmonic molecule. We observe emission from coupled plasmonic modes as revealed by single-particle photoluminescence spectra in comparison to correlated dark-field scattering spectroscopy. The photoluminescence quantum yield of the dimers is found to be surprisingly similar to the constituent monomers, suggesting that the increased local electric field of the dimer plays a minor role, in contradiction to several proposed mechanisms. Aided by electromagnetic simulations of scattering and absorption spectra, we conclude that our data are instead consistent with a multistep mechanism that involves the emission due to radiative decay of surface plasmons generated from excited electron-hole pairs following interband absorption. PMID:26165983

  7. Electrokinetic concentration of charged molecules

    DOEpatents

    Singh, Anup K.; Neyer, David W.; Schoeniger, Joseph S.; Garguilo, Michael G.

    2002-01-01

    A method for separating and concentrating charged species from uncharged or neutral species regardless of size differential. The method uses reversible electric field induced retention of charged species, that can include molecules and molecular aggregates such as dimers, polymers, multimers, colloids, micelles, and liposomes, in volumes and on surfaces of porous materials. The retained charged species are subsequently quantitatively removed from the porous material by a pressure driven flow that passes through the retention volume and is independent of direction thus, a multi-directional flow field is not required. Uncharged species pass through the system unimpeded thus effecting a complete separation of charged and uncharged species and making possible concentration factors greater than 1000-fold.

  8. New molecules for hippocampal development.

    PubMed

    Skutella, T; Nitsch, R

    2001-02-01

    Pathfinding by developing axons towards their proper targets is an essential step in establishing appropriate neuronal connections. Recent work involving cell culture assays and molecular biology strategies, including knockout animals, strongly indicates that a complex network of guidance signals regulates the formation of hippocampal connections during development. Outgrowing axons are routed towards the hippocampal formation by specific expression of long-range cues, which include secreted class 3 semaphorins, netrin 1 and Slit proteins. Local membrane- or substrate-anchored molecules, such as ligands of the ephrin A subclass, provide layer-specific positional information. Understanding the molecular mechanisms that underlie axonal guidance during hippocampal development might be of importance in making therapeutic use of sprouting fibers, which are produced following the loss of afferents in CNS lesion. PMID:11164941

  9. Strong coupling of surface plasmon resonances to molecules on a gold grating

    NASA Astrophysics Data System (ADS)

    Gupta, Prince; Ramakrishna, S. Anantha; Wanare, Harshawardhan

    2016-10-01

    The intense electromagnetic fields generated by a surface plasmon resonance can strongly couple to molecules in the vicinity of the surface, causing significant line shifts. By measuring the angle dependent transmission spectrum through gold gratings with Rhodamine-6G molecules deposited on them, the coupling of the surface plasmon resonance to the molecular levels at different frequencies was determined. The strong coupling within the absorption and fluorescence bands of the molecules leads to anti-crossing of the states of the coupled system evidenced by the transmission minima. In particular, simultaneous existence of two distinct resonances at different wavevectors for a given wavelength over the absorption and fluorescence bands is observed. The multiplicity of the molecular levels and the coupling fields involved in the process is captured in a three-level Λ-system model coherently driven by the enhanced surface plasmon fields. The enhanced surface plasmon fields and the resonant absorption/fluorescent fields form the two arms of the Λ-system with approriate detuning.

  10. Electrorheological crystallization of proteins and other molecules

    DOEpatents

    Craig, George D.; Rupp, Bernhard

    1996-01-01

    An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an x-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the x-ray diffraction pattern.

  11. Electrorheological crystallization of proteins and other molecules

    DOEpatents

    Craig, G.D.; Rupp, B.

    1996-06-11

    An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an X-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the X-ray diffraction pattern. 4 figs.

  12. Single-molecule imaging by optical absorption

    NASA Astrophysics Data System (ADS)

    Celebrano, Michele; Kukura, Philipp; Renn, Alois; Sandoghdar, Vahid

    2011-02-01

    To date, optical studies of single molecules at room temperature have relied on the use of materials with high fluorescence quantum yield combined with efficient spectral rejection of background light. To extend single-molecule studies to a much larger pallet of substances that absorb but do not fluoresce, scientists have explored the photothermal effect, interferometry, direct attenuation and stimulated emission. Indeed, very recently, three groups have succeeded in achieving single-molecule sensitivity in absorption. Here, we apply modulation-free transmission measurements known from absorption spectrometers to image single molecules under ambient conditions both in the emissive and strongly quenched states. We arrive at quantitative values for the absorption cross-section of single molecules at different wavelengths and thereby set the ground for single-molecule absorption spectroscopy. Our work has important implications for research ranging from absorption and infrared spectroscopy to sensing of unlabelled proteins at the single-molecule level.

  13. Deformation of DNA molecules by hydrodynamic focusing

    NASA Astrophysics Data System (ADS)

    Wong, Pak Kin; Lee, Yi-Kuen; Ho, Chih-Ming

    2003-12-01

    The motion of a DNA molecule in a solvent flow reflects the deformation of a nano/microscale flexible mass spring structure by the forces exerted by the fluid molecules. The dynamics of individual molecules can reveal both fundamental properties of the DNA and basic understanding of the complex rheological properties of long-chain molecules. In this study, we report the dynamics of isolated DNA molecules under homogeneous extensional flow. Hydrodynamic focusing generates homogeneous extensional flow with uniform velocity in the transverse direction. The deformation of individual DNA molecules in the flow was visualized with video fluorescence microscopy. A coil stretch transition was observed when the Deborah number (De) is larger than 0.8. With a sudden stopping of the flow, the DNA molecule relaxes and recoils. The longest relaxation time of T2 DNA was determined to be 0.63 s when scaling viscosity to 0.9 cP.

  14. Observation of pendular butterfly Rydberg molecules

    NASA Astrophysics Data System (ADS)

    Niederprüm, Thomas; Thomas, Oliver; Eichert, Tanita; Lippe, Carsten; Pérez-Ríos, Jesús; Greene, Chris H.; Ott, Herwig

    2016-10-01

    Engineering molecules with a tunable bond length and defined quantum states lies at the heart of quantum chemistry. The unconventional binding mechanism of Rydberg molecules makes them a promising candidate to implement such tunable molecules. A very peculiar type of Rydberg molecules are the so-called butterfly molecules, which are bound by a shape resonance in the electron-perturber scattering. Here we report the observation of these exotic molecules and employ their exceptional properties to engineer their bond length, vibrational state, angular momentum and orientation in a small electric field. Combining the variable bond length with their giant dipole moment of several hundred Debye, we observe counter-intuitive molecules which locate the average electron position beyond the internuclear distance.

  15. Observation of pendular butterfly Rydberg molecules

    PubMed Central

    Niederprüm, Thomas; Thomas, Oliver; Eichert, Tanita; Lippe, Carsten; Pérez-Ríos, Jesús; Greene, Chris H.; Ott, Herwig

    2016-01-01

    Engineering molecules with a tunable bond length and defined quantum states lies at the heart of quantum chemistry. The unconventional binding mechanism of Rydberg molecules makes them a promising candidate to implement such tunable molecules. A very peculiar type of Rydberg molecules are the so-called butterfly molecules, which are bound by a shape resonance in the electron–perturber scattering. Here we report the observation of these exotic molecules and employ their exceptional properties to engineer their bond length, vibrational state, angular momentum and orientation in a small electric field. Combining the variable bond length with their giant dipole moment of several hundred Debye, we observe counter-intuitive molecules which locate the average electron position beyond the internuclear distance. PMID:27703143

  16. A High-Sensitivity and Low-Power Theranostic Nanosystem for Cell SERS Imaging and Selectively Photothermal Therapy Using Anti-EGFR-Conjugated Reduced Graphene Oxide/Mesoporous Silica/AuNPs Nanosheets.

    PubMed

    Chen, Yu-Wei; Liu, Ting-Yu; Chen, Po-Jung; Chang, Po-Hsueh; Chen, San-Yuan

    2016-03-01

    A high-sensitivity and low-power theranostic nanosystem that combines with synergistic photothermal therapy and surface-enhanced Raman scattering (SERS) mapping is constructed by mesoporous silica self-assembly on the reduced graphene oxide (rGO) nanosheets with nanogap-aligned gold nanoparticles (AuNPs) encapsulated and arranged inside the nanochannels of the mesoporous silica layer. Rhodamine 6G (R6G) as a Raman reporter is then encapsulated into the nanochannels and anti-epidermal growth factor receptor (EGFR) is conjugated on the nanocomposite surface, defined as anti-EGFR-PEG-rGO@CPSS-Au-R6G, where PEG is polyethylene glycol and CPSS is carbon porous silica nanosheets. SERS spectra results show that rGO@CPSS-Au-R6G enhances 5 × 10(6) magnification of the Raman signals and thus can be applied in the noninvasive cell tracking. Furthermore, it displays high sensitivity (detection limits: 10(-8) m R6G solution) due to the "hot spots" effects by the arrangements of AuNPs in the nanochannels of mesoporous silica. The highly selective targeting of overexpressing EGFR lung cancer cells (A549) is observed in the anti-EGFR-PEG-rGO@CPSS-Au-R6G, in contrast to normal cells (MRC-5). High photothermal therapy efficiency with a low power density (0.5 W cm(-2) ) of near-infrared laser can be achieved because of the synergistic effect by conjugated AuNPs and rGO nanosheets. These results demonstrate that the anti-EGFR-PEG-rGO@CPSS-Au-R6G is an excellent new theranostic nanosystem with cell targeting, cell tracking, and photothermal therapy capabilities. PMID:26814978

  17. The mutual influence of two different dyes on their sensitized fluorescence (cofluorescence) in nanoparticles from complexes

    NASA Astrophysics Data System (ADS)

    Mironov, L. Yu.; Sveshnikova, E. B.; Ermolaev, V. L.

    2013-10-01

    We have studied the fluorescence sensitization and quenching for pairs of different dyes simultaneously incorporated into nanoparticles from complexes M(diketone)3phen, where M(III) is La(III), Lu(III), or Sc(III); diketone is p-phenylbenzoyltrifluoroacetone (PhBTA) or naphthoyltrifluoroacetone (NTA); and phen is 1,10-phenanthroline. We have shown that, upon formation of nanoparticles in the solution in the presence of two dyes the concentrations of which are either comparable with or lower than the concentration of nanoparticles (<20 nM), the intensities of the sensitized fluorescence of dyes in nanoparticles in binary solutions and in solutions of either of the dyes coincide. We have found that the intensity of sensitized fluorescence of small (<20 nM) concentrations of rhodamine 6G (R6G) or Nile blue (NB) increases by an order of magnitude upon simultaneous introduction into nanoparticles of 1 μM of coumarin 30 (C30), while the intensity of fluorescence of C30 sensitized by complexes decreases by an order of magnitude. The same effect is observed as 1 μM of R6G are introduced into nanoparticles with NB ([NB] ≤ 20 nM). The increase in the fluorescence of dye molecules upon their incorporation from the solution into nanoparticles from complexes is noticeably lower than that expected from the proposed ratio of concentrations of complexes and dyes in nanoparticles. Analysis of the obtained data indicates that the introduction of large concentrations of C30 or R6G dyes into nanoparticles makes it possible to prevent large energy losses due to impurities or upon transition to a triplet state that arises during the migration of the excitation energy over S 1 levels of complexes. Energy accumulated by these dyes is efficiently transferred to another dye that is present in the solution at lower concentrations and that has a lower-lying S 1 level, which makes it possible to increase its fluorescence by an order of magnitude upon its incorporation into nanoparticles.

  18. Coordination programming of photofunctional molecules.

    PubMed

    Sakamoto, Ryota; Kusaka, Shinpei; Hayashi, Mikihiro; Nishikawa, Michihiro; Nishihara, Hiroshi

    2013-04-05

    Our recent achievements relating to photofunctional molecules are addressed. Section 1 discloses a new concept of photoisomerization. Pyridylpyrimidine-copper complexes undergo a ring inversion that can be modulated by the redox state of the copper center. In combination with an intermolecular photoelectron transfer (PET) initiated by the metal-to-ligand charge transfer (MLCT) transition of the Cu(I) state, we realize photonic regulation of the ring inversion. Section 2 reports on the first examples of heteroleptic bis(dipyrrinato)zinc(II) complexes. Conventional homoleptic bis(dipyrrinato)zinc(II) complexes suffered from low fluorescence quantum yields, whereas the heteroleptic ones feature bright fluorescence even in polar solvents. Section 3 describes our new findings on Pechmann dye, which was first synthesized in 1882. New synthetic procedures for Pechmann dye using dimethyl bis(arylethynyl)fumarate as a starting material gives rise to its new structural isomer. We also demonstrate potentiality of a donor-acceptor-donor type of Pechmann dye in organic electronics.

  19. NMR studies of oriented molecules

    SciTech Connect

    Sinton, S.W.

    1981-11-01

    Deuterium and proton magnetic resonance are used in experiments on a number of compounds which either form liquid crystal mesophases themselves or are dissolved in a liquid crystal solvent. Proton multiple quantum NMR is used to simplify complicated spectra. The theory of nonselective multiple quantum NMR is briefly reviewed. Benzene dissolved in a liquid crystal are used to demonstrate several outcomes of the theory. Experimental studies include proton and deuterium single quantum (..delta..M = +-1) and proton multiple quantum spectra of several molecules which contain the biphenyl moiety. 4-Cyano-4'-n-pentyl-d/sub 11/-biphenyl (5CB-d/sub 11/) is studied as a pure compound in the nematic phase. The obtained chain order parameters and dipolar couplings agree closely with previous results. Models for the effective symmetry of the biphenyl group in 5CB-d/sub 11/ are tested against the experimental spectra. The dihedral angle, defined by the planes containing the rings of the biphenyl group, is found to be 30 +- 2/sup 0/ for 5DB-d/sub 11/. Experiments are also described for 4,4'-d/sub 2/-biphenyl, 4,4' - dibromo-biphenyl, and unsubstituted biphenyl.

  20. Single Molecule Studies of Chromatin

    SciTech Connect

    Jeans, C; Thelen, M P; Noy, A

    2006-02-06

    In eukaryotic cells, DNA is packaged as chromatin, a highly ordered structure formed through the wrapping of the DNA around histone proteins, and further packed through interactions with a number of other proteins. In order for processes such as DNA replication, DNA repair, and transcription to occur, the structure of chromatin must be remodeled such that the necessary enzymes can access the DNA. A number of remodeling enzymes have been described, but our understanding of the remodeling process is hindered by a lack of knowledge of the fine structure of chromatin, and how this structure is modulated in the living cell. We have carried out single molecule experiments using atomic force microscopy (AFM) to study the packaging arrangements in chromatin from a variety of cell types. Comparison of the structures observed reveals differences which can be explained in terms of the cell type and its transcriptional activity. During the course of this project, sample preparation and AFM techniques were developed and optimized. Several opportunities for follow-up work are outlined which could provide further insight into the dynamic structural rearrangements of chromatin.

  1. Geochemical Origin of Biological Molecules

    NASA Astrophysics Data System (ADS)

    Bassez, Marie-Paule

    2013-04-01

    A model for the geochemical origin of biological molecules is presented. Rocks such as peridotites and basalts, which contain ferromagnesian minerals, evolve in the presence of water. Their hydrolysis is an exothermic reaction which generates heat and a release of H2 and of minerals with modified structures. The hydrogen reacts with the CO2 embedded inside the rock or with the CO2 of the environment to form CO in an hydrothermal process. With the N2 of the environment, and with an activation source arising from cosmic radiation, ferromagnesian rocks might evolve towards the abiotic formation of biological molecules, such as peptide like macromolecules which produce amino acids after acid hydrolysis. The reactions concerned are described. The production of hydrothermal CO is discussed in geological sites containing ferromagnesian silicate minerals and the low intensity of the Earth's magnetic field during Paleoarchaean Era is also discussed. It is concluded that excitation sources arising from cosmic radiation were much more abundant during Paleoarchaean Era and that macromolecular structures of biological relevance might consequently form during Archaean Eon, as a product of the chemical evolution of the rocks and of their mineral contents. This synthesis of abiotically formed biological molecules is consecutively discussed for meteorites and other planets such as Mars. This model for the geochemical origin of biological molecules has first been proposed in 2008 in the context of reactions involving catalysers such as kaolinite [Bassez 2008a] and then presented in conferences and articles [Bassez 2008b, 2009, 2012; Bassez et al. 2009a to 2012b]. BASSEZ M.P. 2008a Synthèse prébiotique dans les conditions hydrothermales, CNRIUT'08, Lyon 29-30/05/2008, Conf. and open access article:http://liris.cnrs.fr/~cnriut08/actes/ 29 mai 11h-12h40. BASSEZ M.P. 2008b Prebiotic synthesis under hydrothermal conditions, ISSOL'08, P2-6, Firenze-Italy, 24-29/08/2008. Poster at the

  2. Broadband single-molecule excitation spectroscopy

    PubMed Central

    Piatkowski, Lukasz; Gellings, Esther; van Hulst, Niek F.

    2016-01-01

    Over the past 25 years, single-molecule spectroscopy has developed into a widely used tool in multiple disciplines of science. The diversity of routinely recorded emission spectra does underpin the strength of the single-molecule approach in resolving the heterogeneity and dynamics, otherwise hidden in the ensemble. In early cryogenic studies single molecules were identified by their distinct excitation spectra, yet measuring excitation spectra at room temperature remains challenging. Here we present a broadband Fourier approach that allows rapid recording of excitation spectra of individual molecules under ambient conditions and that is robust against blinking and bleaching. Applying the method we show that the excitation spectra of individual molecules exhibit an extreme distribution of solvatochromic shifts and distinct spectral shapes. Importantly, we demonstrate that the sensitivity and speed of the broadband technique is comparable to that of emission spectroscopy putting both techniques side-by-side in single-molecule spectroscopy. PMID:26794035

  3. Broadband single-molecule excitation spectroscopy

    NASA Astrophysics Data System (ADS)

    Piatkowski, Lukasz; Gellings, Esther; van Hulst, Niek F.

    2016-01-01

    Over the past 25 years, single-molecule spectroscopy has developed into a widely used tool in multiple disciplines of science. The diversity of routinely recorded emission spectra does underpin the strength of the single-molecule approach in resolving the heterogeneity and dynamics, otherwise hidden in the ensemble. In early cryogenic studies single molecules were identified by their distinct excitation spectra, yet measuring excitation spectra at room temperature remains challenging. Here we present a broadband Fourier approach that allows rapid recording of excitation spectra of individual molecules under ambient conditions and that is robust against blinking and bleaching. Applying the method we show that the excitation spectra of individual molecules exhibit an extreme distribution of solvatochromic shifts and distinct spectral shapes. Importantly, we demonstrate that the sensitivity and speed of the broadband technique is comparable to that of emission spectroscopy putting both techniques side-by-side in single-molecule spectroscopy.

  4. Rotational Cooling of Trapped Polyatomic Molecules.

    PubMed

    Glöckner, Rosa; Prehn, Alexander; Englert, Barbara G U; Rempe, Gerhard; Zeppenfeld, Martin

    2015-12-01

    Controlling the internal degrees of freedom is a key challenge for applications of cold and ultracold molecules. Here, we demonstrate rotational-state cooling of trapped methyl fluoride molecules (CH_{3}F) by optically pumping the population of 16 M sublevels in the rotational states J=3, 4, 5 and 6 into a single level. By combining rotational-state cooling with motional cooling, we increase the relative number of molecules in the state J=4, K=3, M=4 from a few percent to over 70%, thereby generating a translationally cold (≈30  mK) and nearly pure state ensemble of about 10^{6} molecules. Our scheme is extendable to larger sets of initial states, other final states, and a variety of molecule species, thus paving the way for internal-state control of ever-larger molecules.

  5. Single molecule nanometry for biological physics

    PubMed Central

    Kim, Hajin; Ha, Taekjip

    2013-01-01

    Precision measurement is a hallmark of physics but the small length scale (~ nanometer) of elementary biological components and thermal fluctuations surrounding them challenge our ability to visualize their action. Here, we highlight the recent developments in single molecule nanometry where the position of a single fluorescent molecule can be determined with nanometer precision, reaching the limit imposed by the shot noise, and the relative motion between two molecules can be determined with ~ 0.3 nm precision at ~ 1 millisecond time resolution, and how these new tools are providing fundamental insights on how motor proteins move on cellular highways. We will also discuss how interactions between three and four fluorescent molecules can be used to measure three and six coordinates, respectively, allowing us to correlate movements of multiple components. Finally, we will discuss recent progress in combining angstrom precision optical tweezers with single molecule fluorescent detection, opening new windows for multi-dimensional single molecule nanometry for biological physics. PMID:23249673

  6. Estimation of enthalpy data for reactions involving gas phase ions utilizing lattice potential energies: fluoride ion affinities (FIA) and pF- values of mSbF5(l) and mSbF5(g) (m = 1, 2, 3), AsF5(g), AsF5.SO2(c). Standard enthalpies of formation: Delta(f)H degrees (SbmF5m+1)(-),g) (m = 1, 2, 3), Delta(f)H degrees (AsF6(-),g), and Delta(f)H degrees (NF4+,g).

    PubMed

    Jenkins, H Donald Brooke; Roobottom, H K; Passmore, Jack

    2003-05-01

    Fluoride ion affinity (FIA) values (and the associated pF(-) values) are difficult to establish experimentally for pentafluorides of arsenic and antimony. Our approach, utilizing estimated lattice potential energies, provides a further opportunity to establish this data for liquid (and gaseous) SbF(5) and gaseous AsF(5) which compliments values obtained using ab initio routes for monomeric gas phase molecules and adds to results based on rigorous methods. A strategy is developed whereby construction of (multiple) Born-Fajans-Haber cycles centered around the (target) FIA reaction of interest yield a plethora of estimates for the enthalpy change of interest. This general approach is illustrated here by specific estimation of some experimentally based FIA values of SbF(5) and AsF(5). FIA values/kJ mol(-1) and pF- values estimated in this paper are FIA(SbF(5),l) approximately equal to -475 (+/-63), pF-(SbF(5),l) = 11.4 (+/-1.5); FIA(SbF(5),g) approximately equal to -506 (+/-63), pF-(SbF(5),g) = 12.4 (+/-1.5); FIA(2SbF(5),l) approximately equal to -609 (+/-63), pF- (2SbF(5),l) = 14.6 (+/-1.5); FIA (2SbF(5),g) approximately equal to -671 (+/-63), pF- (2SbF(5),g) = 16.0 (+/-1.5); FIA (3SbF(5),l) approximately -635 (+/-39), pF(-) (3SbF(5),l) = 15.2 (+/-0.9); FIA(3SbF(5),g) approximately -728 (+/-39), pF(-) (3SbF(5),g) = 17.4 (+/-0.9); FIA(AsF(5),g) approximately equal to -421 (+/-22), pF(-) (AsF(5),g) = 10.1 (+/- 0.5); and FIA (AsF(5).SO(2),s) approximately equal to -390 (+/-22), pF(-) (AsF(5).SO(2),s) = 9.3 (+/-0.5). Related standard enthalpies of formation (in kJ mol(-1)) are also assigned: Delta(f)H degrees (SbF(6)(-),g) approximately equal to -2075 (+/-52); Delta(f)H degrees (Sb(2)F(11)(-),g) approximately equal to -3520 (+/-63); Delta(f)H degrees (Sb(3)F(16)(-),g) approximately equal to -4874 (+/-39); Delta(f)H degrees (NF(4)(+),g) approximately equal to 903 (+/-32); Delta(f)H degrees (AsF(6)(-),g) approximately equal to -1907 (+/-22).

  7. Structure of small clusters of parahydrogen molecules

    SciTech Connect

    Guardiola, Rafael; Navarro, Jesus

    2006-08-15

    The ground state energies and the one-body densities of parahydrogen clusters have been systematically calculated by the diffusion Monte Carlo technique in steps of one molecule from 3 to 50 molecules. These calculations show that parahydrogen clusters exhibit a clear geometrical order which excludes any liquidlike structure. A definite confirmation of the magic size for the cluster with 13 molecules is also obtained.

  8. A new interstellar molecule - Tricarbon monoxide

    NASA Technical Reports Server (NTRS)

    Matthews, H. E.; Irvine, W. M.; Friberg, P.; Brown, R. D.; Godfrey, P. D.

    1984-01-01

    The C3O molecule, whose pure rotational spectrum has only recently been studied in the laboratory, has been detected in the cold, dark interstellar Taurus Molecular Cloud 1. Since C3O is the first interstelar carbon chain molecule to contain oxygen, its existence places an important new constraint on chemical schemes for cold interstellar clouds. The abundance of C3O can be understood in terms of purely gas-phase ion-molecule chemistry.

  9. Circular DNA Molecules in the Genus Drosophila

    PubMed Central

    Travaglini, E. C.; Schultz, J.

    1972-01-01

    The satellite DNA's from the embryos of five species of Drosophila (D. melanogaster, D. simulans, D. nasuta, D. virilis and D. hydei) have been analyzed for the presence of closed circular duplex DNA molecules, as determined by CsCl-EBr gradients. Circular DNA molecules were found in every species but D. melanogaster. Analyses of cell fractions from adult Drosophila and organ fractions from Drosophila larvae show that fractions containing mitochondria are highly enriched in these molecules. PMID:4643820

  10. Microwave Stark decelerator for polar molecules

    SciTech Connect

    Enomoto, Katsunari; Momose, Takamasa

    2005-12-15

    We propose a method to decelerate polar molecules from a beam using a microwave field. A moving standing wave of a microwave electric field causes an ac Stark shift to polar molecules and decelerates them. The method is applicable to polar molecules in rotational ground states and can be used to directly load a microwave trap. Numerical simulations are presented indicating large phase-space acceptance volume.

  11. Conserved water molecules in bacterial serine hydroxymethyltransferases.

    PubMed

    Milano, Teresa; Di Salvo, Martino Luigi; Angelaccio, Sebastiana; Pascarella, Stefano

    2015-10-01

    Water molecules occurring in the interior of protein structures often are endowed with key structural and functional roles. We report the results of a systematic analysis of conserved water molecules in bacterial serine hydroxymethyltransferases (SHMTs). SHMTs are an important group of pyridoxal-5'-phosphate-dependent enzymes that catalyze the reversible conversion of l-serine and tetrahydropteroylglutamate to glycine and 5,10-methylenetetrahydropteroylglutamate. The approach utilized in this study relies on two programs, ProACT2 and WatCH. The first software is able to categorize water molecules in a protein crystallographic structure as buried, positioned in clefts or at the surface. The other program finds, in a set of superposed homologous proteins, water molecules that occur approximately in equivalent position in each of the considered structures. These groups of molecules are referred to as 'clusters' and represent structurally conserved water molecules. Several conserved clusters of buried or cleft water molecules were found in the set of 11 bacterial SHMTs we took into account for this work. The majority of these clusters were not described previously. Possible structural and functional roles for the conserved water molecules are envisaged. This work provides a map of the conserved water molecules helpful for deciphering SHMT mechanism and for rational design of molecular engineering experiments.

  12. Circularly Polarized Luminescence from Simple Organic Molecules.

    PubMed

    Sánchez-Carnerero, Esther M; Agarrabeitia, Antonia R; Moreno, Florencio; Maroto, Beatriz L; Muller, Gilles; Ortiz, María J; de la Moya, Santiago

    2015-09-21

    This article aims to show the identity of "circularly polarized luminescent active simple organic molecules" as a new concept in organic chemistry due to the potential interest of these molecules, as availed by the exponentially growing number of research articles related to them. In particular, it describes and highlights the interest and difficulty in developing chiral simple (small and non-aggregated) organic molecules able to emit left- or right-circularly polarized light efficiently, the efforts realized up to now to reach this challenging objective, and the most significant milestones achieved to date. General guidelines for the preparation of these interesting molecules are also presented.

  13. Production and Trapping of Ultracold Polar Molecules

    SciTech Connect

    David, DeMille

    2015-04-21

    We report a set of experiments aimed at the production and trapping of ultracold polar molecules. We begin with samples of laser-cooled and trapped Rb and Cs atoms, and bind them together to form polar RbCs molecules. The binding is accomplished via photoassociation, which uses a laser to catalyze the sticking process. We report results from investigation of a new pathway for photoassociation that can produce molecules in their absolute ground state of vibrational and rotational motion. We also report preliminary observations of collisions between these ground-state molecules and co-trapped atoms.

  14. Probing individual molecules with confocal fluorescence microscopy.

    PubMed

    Nie, S; Chiu, D T; Zare, R N

    1994-11-11

    Confocal fluorescence microscopy coupled with a diffraction-limited laser beam and a high-efficiency detection system has been used to study the diffusive movement and emission process of individual fluorescent molecules in the liquid phase at room temperature. The high detection sensitivity achieved at fast data acquisition speeds (greater than 1 kilohertz) allows real-time observation of single-molecule fluorescence without statistical analysis. The results show fluorescence-cycle saturation at the single-molecule level and multiple recrossings of a single molecule into and out of the probe volume as well as the triplet state.

  15. Theoretical spectra of floppy molecules

    NASA Astrophysics Data System (ADS)

    Chen, Hua

    2000-09-01

    Detailed studies of the vibrational dynamics of floppy molecules are presented. Six-D bound-state calculations of the vibrations of rigid water dimer based on several anisotropic site potentials (ASP) are presented. A new sequential diagonalization truncation approach was used to diagonalize the angular part of the Hamiltonian. Symmetrized angular basis and a potential optimized discrete variable representation for intermonomer distance coordinate were used in the calculations. The converged results differ significantly from the results presented by Leforestier et al. [J. Chem. Phys. 106 , 8527 (1997)]. It was demonstrated that ASP-S potential yields more accurate tunneling splittings than other ASP potentials used. Fully coupled 4D quantum mechanical calculations were performed for carbon dioxide dimer using the potential energy surface given by Bukowski et al [J. Chem. Phys., 110, 3785 (1999)]. The intermolecular vibrational frequencies and symmetry adapted force constants were estimated and compared with experiments. The inter-conversion tunneling dynamics was studied using the calculated virtual tunneling splittings. Symmetrized Radau coordinates and the sequential diagonalization truncation approach were formulated for acetylene. A 6D calculation was performed with 5 DVR points for each stretch coordinate, and an angular basis that is capable of converging the angular part of the Hamiltonian to 30 cm-1 for internal energies up to 14000 cm-1. The probability at vinylidene configuration were evaluated. It was found that the eigenstates begin to extend to vinylidene configuration from about 10000 cm-1, and the ra, coordinate is closely related to the vibrational dynamics at high energy. Finally, a direct product DVR was defined for coupled angular momentum operators, and the SDT approach were formulated. They were applied in solving the angular part of the Hamiltonian for carbon dioxide dimer problem. The results show the method is capable of giving very accurate

  16. Room-temperature sensor based on surface-enhanced Raman spectroscopy.

    PubMed

    Yang, Kuang-Hsuan; Mai, Fu-Der; Yu, Chung-Chin; Liu, Yu-Chuan

    2014-10-21

    As reported in the literature, several factors, such as scattering cross sections, polarisability and wavelength suitability, contribute to increased SERS enhancement. In general, the advantage of surface-enhanced Raman scattering (SERS)-active Ag nanoparticles (NPs) is their higher SERS enhancement over Au NPs because the molar extinction coefficient of the Ag NPs is the highest of its kind among metals. Nevertheless, the corresponding SERS-active hot spots on Au are of inherently greater stability than on Ag. In this work, innovative temperature sensors based on SERS-active Au and Ag substrates prepared by sonoelectrochemical deposition-dissolution cycles (SEDDCs) are first reported. The SERS intensity of the model probe molecules of Rhodamine 6G (R6G) adsorbed on a SERS-active Ag substrate is monotonically increased from 25 to 50 °C. Moreover, this temperature-dependent intensity is linear with a slope of ca. 430 cps per °C between 25 to 45 °C. In addition, the reversibility and reusability of the developed temperature sensors are evaluated after the R6G-adsorbed sensors are alternately exposed to the temperatures of 25 and 45 °C in a sealed chamber. After every five cycles, the SERS spectra of treated substrates were recorded and compared with those of the as-prepared substrates. Experimental results indicate that SERS enhancement capability is mostly reversible based on 90% intensity of the Raman signal being maintained for the SERS-active Au substrate after 25 cycles (only 15 cycles for the Ag substrate).

  17. Energy Transfer Involving Diatomic Molecules.

    NASA Astrophysics Data System (ADS)

    Gibbons, John Paul

    three colliding pairs, the experimental results lie between the results calculated for the same two sets of potential parameters. These parameters were those calculated to match the short range Lennard-Jones potential and a set obtained by a theoretical Thomas-Fermi treatment of the molecules.

  18. Label-free, multiplexed, molecular sensing and imaging by stamping SERS

    NASA Astrophysics Data System (ADS)

    Li, Ming; Zhao, Fusheng; Zeng, Jianbo; Santos, Greggy M.; Shih, Wei-Chuan

    2015-03-01

    Surface-enhanced Raman spectroscopy (SERS) is a spectroscopic technique, where Raman scattering is boosted primarily by enhanced electric field due to localized surface plasmon resonance (LSPR). With advances in nanofabrication techniques, SERS has attracted great attention for label-free molecular sensing and imaging. However, the practical use of SERS has often encountered an inherent issues regarding a molecule transfer step where target molecules need to be within the close proximity of a SERS-active surface by either mixing with nanoparticles or coating onto surface-bound nanostructures. To address this issue, we have developed stamping surface-enhanced Raman spectroscopy (S-SERS) for label-free, multiplexed, molecular sensing and large-area, high-resolution molecular imaging on a flexible, non-plasmonic surface without solution-phase molecule transfer. In this technique, a polydimethylsiloxane (PDMS) thin film and nanoporous gold disk SERS substrate play the roles as molecule carrier and Raman signal enhancer, respectively. After stamping the SERS substrate onto the PDMS film, SERS measurements can be directly taken from the "sandwiched" target molecules. The performance of S-SERS is evaluated by the detection of Rhodamine 6G (R6G), urea, and its mixture with acetaminophen (APAP), in physiologically relevant concentration range, along with corresponding SERS spectroscopic maps. S-SERS features simple sample preparation, low cost, and high reproducibility, which could lead to SERS-based sensing and imaging for point-of-care and forensics applications.

  19. Tumor suppressor molecules and methods of use

    DOEpatents

    Welch, Peter J.; Barber, Jack R.

    2004-09-07

    The invention provides substantially pure tumor suppressor nucleic acid molecules and tumor suppressor polypeptides. The invention also provides hairpin ribozymes and antibodies selective for these tumor suppressor molecules. Also provided are methods of detecting a neoplastic cell in a sample using detectable agents specific for the tumor suppressor nucleic acids and polypeptides.

  20. Optical interfacing single molecules with atomic vapor

    NASA Astrophysics Data System (ADS)

    Siyushev, Petr; Stein, Guilherme; Wrachtrup, Jörg; Gerhardt, Ilja

    2013-05-01

    Organic molecules at liquid Helium temperatures can constitute high-brightness and narrow-band single photon sources. Thus, they might form an important building block for quantum information processing. A number of quantum optical experiments were conducted with single photon sources based on single molecules. It was shown that it is possible to spectrally detune the molecules, and optical interaction between several molecules could be shown. Another important ingredient for quantum information processing is the implementation of quantum memory. Atomic vapors do not only allow for slowing down light, but also for its storage and can be used as an efficient quantum memory. In the past it was impossible to utilize the high brightness of single molecules in combination with an efficient quantum memory, since the lack of spectral overlap. Here, we present spectral tuning of a single molecule to match the resonance of the sodium D-line. We reach up to 6 ×105 detected 30 MHz narrow-band single photons per second. We are able to slow down near-resonant photons from a single molecule, and simultaneous show its single photon properties. We are further able to explore the properties of atomic vapor for its use as a narrow-band filter for single molecule studies.

  1. The Distribution of Solubilized Molecules among Micelles.

    ERIC Educational Resources Information Center

    Miller, Dennis J.

    1978-01-01

    Conflicting views have been put forward on the derivation of the distribution of solubilized molecules among micelles. This stems from failure to consider the arrangement of the solubilized molecules in the micelles. In the treatment presented enthalpy effects are ignored as they are not amenable to a simple general theory. (Author/BB)

  2. Polymer physics experiments with single DNA molecules

    NASA Astrophysics Data System (ADS)

    Smith, Douglas E.

    1999-11-01

    Bacteriophage DNA molecules were taken as a model flexible polymer chain for the experimental study of polymer dynamics at the single molecule level. Video fluorescence microscopy was used to directly observe the conformational dynamics of fluorescently labeled molecules, optical tweezers were used to manipulate individual molecules, and micro-fabricated flow cells were used to apply controlled hydrodynamic strain to molecules. These techniques constitute a powerful new experimental approach in the study of basic polymer physics questions. I have used these techniques to study the diffusion and relaxation of isolated and entangled polymer molecules and the hydrodynamic deformation of polymers in elongational and shear flows. These studies revealed a rich, and previously unobserved, ``molecular individualism'' in the dynamical behavior of single molecules. Individual measurements on ensembles of identical molecules allowed the average conformation to be determined as well as the underlying probability distributions for molecular conformation. Scaling laws, that predict the dependence of properties on chain length and concentration, were also tested. The basic assumptions of the reptation model were directly confirmed by visualizing the dynamics of entangled chains.

  3. Relating single-molecule measurements to thermodynamics.

    PubMed

    Keller, David; Swigon, David; Bustamante, Carlos

    2003-02-01

    Measurements made on large ensembles of molecules are routinely interpreted using thermodynamics, but the normal rules of thermodynamics may not apply to measurements made on single molecules. Using a polymer stretching experiment as an example, it is shown that in the limit of a single, short molecule the outcome of experimental measurements may depend on which variables are held fixed and which are allowed to fluctuate. Thus an experiment in which the end-to-end distance of the polymer molecule is fixed and the tension fluctuates yields a different result than an experiment where the force is fixed and the end-to-end distance fluctuates. It is further shown that this difference is due to asymmetry in the distribution of end-to-end distances for a single molecule, and that the difference vanishes in the appropriate thermodynamic limit; that is, as the polymer molecule becomes long compared to its persistence length. Despite these differences, much of the thermodynamic formalism still applies on the single-molecule level if the thermodynamic free energies are replaced with appropriate potentials of mean force. The primary remaining differences are consequences of the fact that unlike the free energies, the potentials of mean force are not in general homogeneous functions of their variables. The basic thermodynamic concepts of an intensive or extensive quantity, and the thermodynamic relationships that follow from them, are therefore less useful for interpreting single-molecule experiments.

  4. Computation of generating functions for biological molecules

    SciTech Connect

    Howell, J.A.; Smith, T.F.; Waterman, M.S.

    1980-08-01

    The object of this paper is to give algorithms and techniques for computing generating functions of certain RNA configurations. Combinatorics and symbolic computation are utilized to calculate the generating functions for small RNA molecules. From these generating functions, it is possible to obtain information about the bonding and structure of the molecules. Specific examples of interest to biology are given and discussed.

  5. Quantum transport of the single metallocene molecule

    NASA Astrophysics Data System (ADS)

    Yu, Jing-Xin; Chang, Jing; Wei, Rong-Kai; Liu, Xiu-Ying; Li, Xiao-Dong

    2016-10-01

    The Quantum transport of three single metallocene molecule is investigated by performing theoretical calculations using the non-equilibrium Green's function method combined with density functional theory. We find that the three metallocen molecules structure become stretched along the transport direction, the distance between two Cp rings longer than the other theory and experiment results. The lager conductance is found in nickelocene molecule, the main transmission channel is the electron coupling between molecule and the electrodes is through the Ni dxz and dyz orbitals and the s, dxz, dyz of gold. This is also confirmed by the highest occupied molecular orbital resonance at Fermi level. In addition, negative differential resistance effect is found in the ferrocene, cobaltocene molecules, this is also closely related with the evolution of the transmission spectrum under applied bias.

  6. The symmetry of single-molecule conduction.

    PubMed

    Solomon, Gemma C; Gagliardi, Alessio; Pecchia, Alessandro; Frauenheim, Thomas; Di Carlo, Aldo; Reimers, Jeffrey R; Hush, Noel S

    2006-11-14

    We introduce the conductance point group which defines the symmetry of single-molecule conduction within the nonequilibrium Green's function formalism. It is shown, either rigorously or to within a very good approximation, to correspond to a molecular-conductance point group defined purely in terms of the properties of the conducting molecule. This enables single-molecule conductivity to be described in terms of key qualitative chemical descriptors that are independent of the nature of the molecule-conductor interfaces. We apply this to demonstrate how symmetry controls the conduction through 1,4-benzenedithiol chemisorbed to gold electrodes as an example system, listing also the molecular-conductance point groups for a range of molecules commonly used in molecular electronics research.

  7. Single molecule sensing with carbon nanotube devices

    NASA Astrophysics Data System (ADS)

    Choi, Yongki; Sims, Patrick C.; Olsen, Tivoli J.; Iftikhar, Mariam; Corso, Brad L.; Gul, O. Tolga; Weiss, Gregory A.; Collins, Philip G.

    2013-09-01

    Nanoscale electronic devices like field-effect transistors have long promised to provide sensitive, label-free detection of biomolecules. In particular, single-walled carbon nanotubes have the requisite sensitivity to detect single molecule events and sufficient bandwidth to directly monitor single molecule dynamics in real time. Recent measurements have demonstrated this premise by monitoring the dynamic, single-molecule processivity of three different enzymes: lysozyme, protein Kinase A, and the Klenow fragment of DNA polymerase I. In each case, recordings resolved detailed trajectories of tens of thousands of individual chemical events and provided excellent statistics for single-molecule events. This electronic technique has a temporal resolution approaching 1 microsecond, which provides a new window for observing brief, intermediate transition states. In addition, the devices are indefinitely stable, so that the same molecule can be observed for minutes and hours. The extended recordings provide new insights into rare events like transitions to chemically-inactive conformations.

  8. Circumstellar and interstellar synthesis of organic molecules.

    PubMed

    Tielens, A G; Charnley, S B

    1997-06-01

    We review the formation and evolution of complex circumstellar and interstellar molecules. A number of promising chemical routes are discussed which may lead to the formation of polycyclic aromatic hydrocarbon molecules, fullerenes, and unsaturated hydrocarbon chains in the outflows from stars. Some of the problems with these chemical schemes are pointed out as well. We also review the role of grains in the formation of complex molecules in interstellar molecular clouds. This starts with the formation of simple molecules in an ice grain mantle. UV photolysis and/or thermal polymerization can convert some of these simple molecules into more complex polymeric structures. Some of these species may be released to the gas phase, particularly in the warm regions around newly formed stars. Methanol and formaldehyde seem to play an important role in this drive towards molecular complexity and their chemistry is traced in some detail.

  9. Macronuclear DNA molecules of Tetrahymena thermophila.

    PubMed Central

    Conover, R K; Brunk, C F

    1986-01-01

    The physical organization of the DNA in the macronuclei of Tetrahymena thermophila was investigated by using alternating-orthogonal-field gel electrophoresis. The genome consisted of a spectrum of molecules with lengths ranging from less than 100 to in excess of 1,500 kilobase pairs. There were about 270 different macronuclear DNA molecules, with an average size of about 800 kilobase pairs. Specific genes were mapped and were generally found on macronuclear DNA molecules of the same size in different strains of T. thermophila. This indicates that the molecular mechanisms giving rise to the macronuclear DNA molecules were precise. The fragmentation process that gave rise to macronuclear DNA molecules occurred between 11 and 19 h after the initiation of conjugation. Images PMID:3773895

  10. Chemical principles of single-molecule electronics

    NASA Astrophysics Data System (ADS)

    Su, Timothy A.; Neupane, Madhav; Steigerwald, Michael L.; Venkataraman, Latha; Nuckolls, Colin

    2016-03-01

    The field of single-molecule electronics harnesses expertise from engineering, physics and chemistry to realize circuit elements at the limit of miniaturization; it is a subfield of nanoelectronics in which the electronic components are single molecules. In this Review, we survey the field from a chemical perspective and discuss the structure-property relationships of the three components that form a single-molecule junction: the anchor, the electrode and the molecular bridge. The spatial orientation and electronic coupling between each component profoundly affect the conductance properties and functions of the single-molecule device. We describe the design principles of the anchor group, the influence of the electronic configuration of the electrode and the effect of manipulating the structure of the molecular backbone and of its substituent groups. We discuss single-molecule conductance switches as well as the phenomenon of quantum interference and then trace their fundamental roots back to chemical principles.

  11. Relationships between dipole moments of diatomic molecules.

    PubMed

    Hou, Shilin; Bernath, Peter F

    2015-02-14

    The dipole moment is one of the most important physical properties of a molecule. We present a combination rule for the dipole moments of related diatomic molecules. For molecules AB, AX, BY, and XY from two different element groups in the periodic table, if their elements make a small parallelogram, reliable predictions can be obtained. Our approach is particularly useful for systems with heavy atoms. For a large set of molecules tested, the average difference of the prediction from experimental data is less than 0.2 debye (D). The dipole moments for heavy molecules such as GaCl, InBr, SrCl, and SrS, for which no experimental data are available at present, are predicted to be 3.17, 3.76, 3.85 and 11.54 D, respectively. PMID:25588998

  12. Gold@silver bimetal nanoparticles/pyramidal silicon 3D substrate with high reproducibility for high-performance SERS

    PubMed Central

    Zhang, Chao; Jiang, Shou Zhen; Yang, Cheng; Li, Chong Hui; Huo, Yan Yan; Liu, Xiao Yun; Liu, Ai Hua; Wei, Qin; Gao, Sai Sai; Gao, Xing Guo; Man, Bao Yuan

    2016-01-01

    A novel and efficient surface enhanced Raman scattering (SERS) substrate has been presented based on Gold@silver/pyramidal silicon 3D substrate (Au@Ag/3D-Si). By combining the SERS activity of Ag, the chemical stability of Au and the large field enhancement of 3D-Si, the Au@Ag/3D-Si substrate possesses perfect sensitivity, homogeneity, reproducibility and chemical stability. Using R6G as probe molecule, the SERS results imply that the Au@Ag/3D-Si substrate is superior to the 3D-Si, Ag/3D-Si and Au/3D-Si substrate. We also confirmed these excellent behaviors in theory via a commercial COMSOL software. The corresponding experimental and theoretical results indicate that our proposed Au@Ag/3D-Si substrate is expected to develop new opportunities for label-free SERS detections in biological sensors, biomedical diagnostics and food safety. PMID:27143507

  13. Highly Sensitive and Reproducible SERS Performance from Uniform Film Assembled by Magnetic Noble Metal Composite Microspheres.

    PubMed

    Niu, Chunyu; Zou, Bingfang; Wang, Yongqiang; Cheng, Lin; Zheng, Haihong; Zhou, Shaomin

    2016-01-26

    To realize highly sensitive and reproducible SERS performance, a new route was put forward to construct uniform SERS film by using magnetic composite microspheres. In the experiment, monodisperse Fe3O4@SiO2@Ag microspheres with hierarchical surface were developed and used as building block of SERS substrate, which not only realized fast capturing analyte through dispersion and collection under external magnet but also could be built into uniform film through magnetically induced self-assembly. By using R6G as probe molecule, the as-obtained uniform film exhibited great improvement on SERS performance in both sensitivity and reproducibility when compared with nonuniform film, demonstrating the perfect integration of high sensitivity of hierarchal noble metal microspheres and high reproducibility of ordered microspheres array. Furthermore, the as-obtained product was used to detect pesticide thiram and also exhibited excellent SERS performance for trace detection.

  14. Gold@silver bimetal nanoparticles/pyramidal silicon 3D substrate with high reproducibility for high-performance SERS.

    PubMed

    Zhang, Chao; Jiang, Shou Zhen; Yang, Cheng; Li, Chong Hui; Huo, Yan Yan; Liu, Xiao Yun; Liu, Ai Hua; Wei, Qin; Gao, Sai Sai; Gao, Xing Guo; Man, Bao Yuan

    2016-01-01

    A novel and efficient surface enhanced Raman scattering (SERS) substrate has been presented based on Gold@silver/pyramidal silicon 3D substrate (Au@Ag/3D-Si). By combining the SERS activity of Ag, the chemical stability of Au and the large field enhancement of 3D-Si, the Au@Ag/3D-Si substrate possesses perfect sensitivity, homogeneity, reproducibility and chemical stability. Using R6G as probe molecule, the SERS results imply that the Au@Ag/3D-Si substrate is superior to the 3D-Si, Ag/3D-Si and Au/3D-Si substrate. We also confirmed these excellent behaviors in theory via a commercial COMSOL software. The corresponding experimental and theoretical results indicate that our proposed Au@Ag/3D-Si substrate is expected to develop new opportunities for label-free SERS detections in biological sensors, biomedical diagnostics and food safety. PMID:27143507

  15. Gold@silver bimetal nanoparticles/pyramidal silicon 3D substrate with high reproducibility for high-performance SERS

    NASA Astrophysics Data System (ADS)

    Zhang, Chao; Jiang, Shou Zhen; Yang, Cheng; Li, Chong Hui; Huo, Yan Yan; Liu, Xiao Yun; Liu, Ai Hua; Wei, Qin; Gao, Sai Sai; Gao, Xing Guo; Man, Bao Yuan

    2016-05-01

    A novel and efficient surface enhanced Raman scattering (SERS) substrate has been presented based on Gold@silver/pyramidal silicon 3D substrate (Au@Ag/3D-Si). By combining the SERS activity of Ag, the chemical stability of Au and the large field enhancement of 3D-Si, the Au@Ag/3D-Si substrate possesses perfect sensitivity, homogeneity, reproducibility and chemical stability. Using R6G as probe molecule, the SERS results imply that the Au@Ag/3D-Si substrate is superior to the 3D-Si, Ag/3D-Si and Au/3D-Si substrate. We also confirmed these excellent behaviors in theory via a commercial COMSOL software. The corresponding experimental and theoretical results indicate that our proposed Au@Ag/3D-Si substrate is expected to develop new opportunities for label-free SERS detections in biological sensors, biomedical diagnostics and food safety.

  16. Tunable fluorescence enhancement based on bandgap-adjustable 3D Fe3O4 nanoparticles

    NASA Astrophysics Data System (ADS)

    Hu, Fei; Gao, Suning; Zhu, Lili; Liao, Fan; Yang, Lulu; Shao, Mingwang

    2016-06-01

    Great progress has been made in fluorescence-based detection utilizing solid state enhanced substrates in recent years. However, it is still difficult to achieve reliable substrates with tunable enhancement factors. The present work shows liquid fluorescence enhanced substrates consisting of suspensions of Fe3O4 nanoparticles (NPs), which can assemble 3D photonic crystal under the external magnetic field. The photonic bandgap induced by the equilibrium of attractive magnetic force and repulsive electrostatic force between adjacent Fe3O4 NPs is utilized to enhance fluorescence intensity of dye molecules (including R6G, RB, Cy5, DMTPS-DCV) in a reversible and controllable manner. The results show that a maximum of 12.3-fold fluorescence enhancement is realized in the 3D Fe3O4 NP substrates without the utilization of metal particles for PCs/DMTPS-DCV (1.0 × 10‑7 M, water fraction (f w) = 90%).

  17. Self-assembled dendrite Ag arrays with tunable morphologies for surface-enhanced Raman scattering

    NASA Astrophysics Data System (ADS)

    Huang, Pingping; Wang, Zhezhe; Lin, Lin; Feng, Zhuohong; Wen, Xin; Zheng, Zhiqiang

    2016-11-01

    Highly ordered dendrite Ag arrays are fabricated by using photosensitive sol-gel and electrochemical reaction self-assembly strategy to achieve large field enhancement for Surface-Enhanced Raman scattering (SERS) application. The effects of applied voltage, reaction time and KH550 have been investigated to tailor the growth of Ag dendrite. At an applied voltage of 25 V and reaction time of 30 min, orderly dendrite Ag arrays are obtained and show strong SERS effect. Meanwhile, the additive KH550 also shows a unique effect on the morphologies of Ag dendrite and contributes to increase the SERS. This kind of substrate can be used to detect R6G with the concentration of as low as 10-13 M obviously. Our results suggest that the dendrite Ag arrays as SERS substrate with strong SERS effect having vast potential applications in biosensors and nanodevices with molecule-level detection.

  18. Raman spectra and optical trapping of highly refractive and nontransparent particles

    NASA Astrophysics Data System (ADS)

    Xie, Changan; Li, Yong-qing

    2002-08-01

    We measured the Raman spectra of single optically trapped highly refractive and nontransparent microscopic particles suspended in a liquid using an inverted confocal laser-tweezers-Raman-spectroscopy system. A low-power diode-laser beam of TEM00 mode was used both for optical trapping and Raman excitation of refractive, absorptive, and reflective metal particles. To form a stable trap for a nontransparent particle, the beam focus was located near the top of the particle and the particle was pushed against a glass plate by the axial repulsive force. Raman spectra from single micron-sized crystals with high index of refraction including silicon, germanium, and KNbO3, and from absorptive particles of black and color paints were recorded. Surface-enhanced Raman scattering of R6G and phenylalanine molecules absorbed on the surface of a trapped cluster of silver particles was also demonstrated.

  19. Attachment of second harmonic-active moiety to molecules for detection of molecules at interfaces

    DOEpatents

    Salafsky, Joshua S.; Eisenthal, Kenneth B.

    2005-10-11

    This invention provides methods of detecting molecules at an interface, which comprise labeling the molecules with a second harmonic-active moiety and detecting the labeled molecules at the interface using a surface selective technique. The invention also provides methods for detecting a molecule in a medium and for determining the orientation of a molecular species within a planar surface using a second harmonic-active moiety and a surface selective technique.

  20. Molecules-in-molecules fragment-based method for the evaluation of Raman spectra of large molecules

    NASA Astrophysics Data System (ADS)

    Jovan Jose, K. V.; Raghavachari, Krishnan

    2015-10-01

    We present the first implementation of the evaluation Raman spectra of large molecules using the molecules-in-molecules (MIM) fragment-based method (MIM-Raman). Molecular fragments and associated overlapping subsystems are constructed by cutting the C-C bonds in the large molecule based on the connectivity information and a number-based fragmentation scheme. After saturating the dangling bonds with hydrogen link-atoms, independent energy and Raman frequency calculations are performed on each subsystem. Subsequently, link-atom-related forces, Hessian and polarisability derivative matrix elements are projected back onto the corresponding host and supporting atoms through the Jacobian projection method. In the two-layer model (MIM2), the long-range interactions, absent in the single layer model (MIM1), are taken into account through a second layer at a lower level of theory. The MIM-Raman method is benchmarked on a set of large linear and cage molecules. The MIM extrapolated energy and Raman spectra are compared with the full calculations at B3LYP/6-311G(d,p) or B3LYP/6-311+G(d,p) levels of theory. The benchmark analysis of 21 molecules at MIM2 show an accuracy improvement of 85% in energies, 74% in Raman frequencies and 66% in intensities over MIM1. The implementation and benchmark analysis validates the MIM-Raman model for exploring Raman spectra of large molecules in the future.

  1. Search for complex organic molecules in space

    NASA Astrophysics Data System (ADS)

    Ohishi, Masatoshi

    2016-07-01

    It was 1969 when the first organic molecule in space, H2CO, was discovered. Since then many organic molecules were discovered by using the NRAO 11 m (upgraded later to 12 m), Nobeyama 45 m, IRAM 30 m, and other highly sensitive radio telescopes as a result of close collaboration between radio astronomers and microwave spectroscopists. It is noteworthy that many famous organic molecules such as CH3OH, C2H5OH, (CH3)2O and CH3NH2 were detected by 1975. Organic molecules were found in so-called hot cores where molecules were thought to form on cold dust surfaces and then to evaporate by the UV photons emitted from the central star. These days organic molecules are known to exist not only in hot cores but in hot corinos (a warm, compact molecular clump found in the inner envelope of a class 0 protostar) and even protoplanetary disks. As was described above, major organic molecules were known since 1970s. It was very natural that astronomers considered a relationship between organic molecules in space and the origin of life. Several astronomers challenged to detect glycine and other prebiotic molecules without success. ALMA is expected to detect such important materials to further consider the gexogenous deliveryh hypothesis. In this paper I summarize the history in searching for complex organic molecules together with difficulties in observing very weak signals from larger species. The awfully long list of references at the end of this article may be the most useful part for readers who want to feel the exciting discovery stories.

  2. Detection of reactive oxygen species in mainstream cigarette smoke by a fluorescent probe

    NASA Astrophysics Data System (ADS)

    Liu, Li; Xu, Shi-jie; Li, Song-zhan

    2009-07-01

    A mass of reactive oxygen species(ROS) are produced in the process of smoking. Superfluous ROS can induce the oxidative stress in organism, which will cause irreversible damage to cells. Fluorescent probe is taken as a marker of oxidative stress in biology and has been applied to ROS detection in the field of biology and chemistry for high sensitivity, high simplicity of data collection and high resolution. As one type of fluorescent probe, dihydrorhodamine 6G (dR6G) will be oxidized to the fluorescent rhodamine 6G, which could be used to detect ROS in mainstream cigarette smoke. We investigated the action mechanism of ROS on dR6G, built up the standard curve of R6G fluorescence intensity with its content, achieved the variation pattern of R6G fluorescence intensity with ROS content in mainstream cigarette smoke and detected the contents of ROS from the 4 types of cigarettes purchased in market. The result shows that the amount of ROS has close relationship with the types of tobacco and cigarette production technology. Compared with other detecting methods such as electronic spin resonance(ESR), chromatography and mass spectrometry, this detection method by the fluorescent probe has higher efficiency and sensitivity and will have wide applications in the ROS detection field.

  3. Trapping and manipulating single molecules of DNA

    NASA Astrophysics Data System (ADS)

    Shon, Min Ju

    This thesis presents the development and application of nanoscale techniques to trap and manipulate biomolecules, with a focus on DNA. These methods combine single-molecule microscopy and nano- and micro-fabrication to study biophysical properties of DNA and proteins. The Dimple Machine is a lab-on-a-chip device that can isolate and confine a small number of molecules from a bulk solution. It traps molecules in nanofabricated chambers, or "dimples", and the trapped molecules are then studied on a fluorescence microscope at the single-molecule level. The sampling of bulk solution by dimples is representative, reproducible, and automated, enabling highthroughput single-molecule experiments. The device was applied to study hybridization of oligonucleotides, particularly in the context of reaction thermodynamics and kinetics in nanoconfinement. The DNA Pulley is a system to study protein binding and the local mechanical properties of DNA. A molecule of DNA is tethered to a surface on one end, and a superparamagnetic bead is attached to the other. A magnet pulls the DNA taut, and a silicon nitride knife with a nanoscale blade scans the DNA along its contour. Information on the local properties of the DNA is extracted by tracking the bead with nanometer precision in a white-light microscope. The system can detect proteins bound to DNA and localize their recognition sites, as shown with a model protein, EcoRI restriction enzyme. Progress on the measurements of nano-mechanical properties of DNA is included.

  4. Single-molecule junctions beyond electronic transport.

    PubMed

    Aradhya, Sriharsha V; Venkataraman, Latha

    2013-06-01

    The idea of using individual molecules as active electronic components provided the impetus to develop a variety of experimental platforms to probe their electronic transport properties. Among these, single-molecule junctions in a metal-molecule-metal motif have contributed significantly to our fundamental understanding of the principles required to realize molecular-scale electronic components from resistive wires to reversible switches. The success of these techniques and the growing interest of other disciplines in single-molecule-level characterization are prompting new approaches to investigate metal-molecule-metal junctions with multiple probes. Going beyond electronic transport characterization, these new studies are highlighting both the fundamental and applied aspects of mechanical, optical and thermoelectric properties at the atomic and molecular scales. Furthermore, experimental demonstrations of quantum interference and manipulation of electronic and nuclear spins in single-molecule circuits are heralding new device concepts with no classical analogues. In this Review, we present the emerging methods being used to interrogate multiple properties in single molecule-based devices, detail how these measurements have advanced our understanding of the structure-function relationships in molecular junctions, and discuss the potential for future research and applications.

  5. Stretched polyethylene films probed by single molecules.

    PubMed

    Wirtz, Alexander C; Hofmann, Clemens; Groenen, Edgar J J

    2011-06-01

    Stretched films of low-density polyethylene (LDPE) doped with 2.3,8.9-dibenzanthanthrene (DBATT) were studied using polarization-selective single-molecule spectroscopy at 1.8 K. By measuring the in-plane component of the electronic transition-dipole moments of individual chromophores, the alignment of dopant molecules is determined without averaging. The distributions of chromophore orientations reveal the presence of two fractions of dopant molecules: those oriented along the stretching direction and randomly oriented molecules. With increasing drawing ratio of the polyethylene films, the ratio of oriented to randomly oriented guest molecules increases, whereas the extent of chromophore orientation, that is, the width of the orientation distribution, remains the same. The results are consistent with the interpretation that oriented chromophores reside on the surfaces of polyethylene crystals, instead of in the amorphous polyethylene regions. Guest molecules in stretched polyethylene are oriented due to the alignment of the crystallites on which they are adsorbed. As such, the shape and width of the distributions of chromophore orientations are determined by the interaction of guest molecules with the crystal surfaces.

  6. Ultralong-range polyatomic Rydberg molecules

    NASA Astrophysics Data System (ADS)

    Gonzalez-Ferez, Rosario

    2016-05-01

    Ultralong-range polyatomic Rydberg molecules are formed when a ground-state atom is bound to a Rydberg atom. The binding mechanism of these Rydberg molecules is based on the low-energy collisions between a Rydberg electron and a ground-state atom and leads to the unusual oscillatory behavior of the adiabatic potential energy curves. If the ground-state atom immersed into the Rydberg wave function is replaced by a heteronuclear diatomic molecule another type of polyatomic Rydberg molecules can form. In this case, the Rydberg electron is coupled to the internal states of the polar ground-state molecule. In this talk, we will explore the electronic structure and rovibrational properties of these ultralong-range polyatomic Rydberg molecule. For the second type of Rydberg molecules, the polar dimer is allowed to rotate in the electric fields generated by the Rydberg electron and Rydberg core as well as an additional external field. We will investigate the metamorphosis of the Born-Oppenheimer potential curves, essential for the binding mechanism, with varying electric field and analyze the resulting properties such as the vibrational structure and the alignment and orientation of the polar dimer.

  7. Symmetry calculation for molecules and transition states.

    PubMed

    Vandewiele, Nick M; Van de Vijver, Ruben; Van Geem, Kevin M; Reyniers, Marie-Françoise; Marin, Guy B

    2015-01-30

    The symmetry of molecules and transition states of elementary reactions is an essential property with important implications for computational chemistry. The automated identification of symmetry by computers is a very useful tool for many applications, but often relies on the availability of three-dimensional coordinates of the atoms in the molecule and hence becomes less useful when these coordinates are a priori unavailable. This article presents a new algorithm that identifies symmetry of molecules and transition states based on an augmented graph representation of the corresponding structures, in which both topology and the presence of stereocenters are accounted for. The automorphism group order of the graph associated with the molecule or transition state is used as a starting point. A novel concept of label-stereoisomers, that is, stereoisomers that arise after labeling homomorph substituents in the original molecule so that they become distinguishable, is introduced and used to obtain the symmetry number. The algorithm is characterized by its generic nature and avoids the use of heuristic rules that would limit the applicability. The calculated symmetry numbers are in agreement with expected values for a large and diverse set of structures, ranging from asymmetric, small molecules such as fluorochlorobromomethane to highly symmetric structures found in drug discovery assays. The new algorithm opens up new possibilities for the fast screening of the degree of symmetry of large sets of molecules.

  8. Single Molecule Spectroscopy of Electron Transfer

    SciTech Connect

    Michael Holman; Ling Zang; Ruchuan Liu; David M. Adams

    2009-10-20

    The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

  9. Giant molecules composed of polar molecules and atoms in mixed dimensions

    NASA Astrophysics Data System (ADS)

    Qi, Ran; Tan, Shina

    2014-05-01

    Two or three polar molecules, confined to one or two dimensions, can form stable bound states with a single atom living in three dimensions, if the molecule and the atom can interact resonantly such that their mixed dimensional scattering length is large. We call these bound states ``giant molecules'' since it's a molecule composed of smaller molecules and atoms. We study their properties using techniques including exact numerical solution, exact qunatum diffusion Monte Carlo (QMC), Born-Oppenheimer approximation (BOA), and semiclassical approximation. These bound states have a hierarchical structure reminiscent of the celestial systems.

  10. Line broadening of confined CO gas: from molecule-wall to molecule-molecule collisions with pressure.

    PubMed

    Hartmann, J-M; Boulet, C; Auwera, J Vander; El Hamzaoui, H; Capoen, B; Bouazaoui, M

    2014-02-14

    The infrared absorption in the fundamental band of CO gas confined in porous silica xerogel has been recorded at room temperature for pressures between about 5 and 920 hPa using a high resolution Fourier transform spectrometer. The widths of individual lines are determined from fits of measured spectra and compared with ab initio predictions obtained from requantized classical molecular dynamics simulations. Good agreement is obtained from the low pressure regime where the line shapes are governed by molecule-wall collisions to high pressures where the influence of molecule-molecule interactions dominates. These results, together with those obtained with a simple analytical model, indicate that both mechanisms contribute in a practically additive way to the observed linewidths. They also confirm that a single collision of a molecule with a wall changes its rotational state. These results are of interest for the determination of some characteristics of the opened porosity of porous materials through optical soundings.

  11. Single molecule microscopy and spectroscopy: concluding remarks.

    PubMed

    van Hulst, Niek F

    2015-01-01

    Chemistry is all about molecules: control, synthesis, interaction and reaction of molecules. All too easily on a blackboard, one draws molecules, their structures and dynamics, to create an insightful picture. The dream is to see these molecules in reality. This is exactly what "Single Molecule Detection" provides: a look at molecules in action at ambient conditions; a breakthrough technology in chemistry, physics and biology. Within the realms of the Royal Society of Chemistry, the Faraday Discussion on "Single Molecule Microscopy and Spectroscopy" was a very appropriate topic for presentation, deliberation and debate. Undoubtedly, the Faraday Discussions have a splendid reputation in stimulating scientific debates along the traditions set by Michael Faraday. Interestingly, back in the 1830's, Faraday himself pursued an experiment that led to the idea that atoms in a compound were joined by an electrical component. He placed two opposite electrodes in a solution of water containing a dissolved compound, and observed that one of the elements of the compound accumulated on one electrode, while the other was deposited on the opposite electrode. Although Faraday was deeply opposed to atomism, he had to recognize that electrical forces were responsible for the joining of atoms. Probably a direct view on the atoms or molecules in his experiment would have convinced him. As such, Michael Faraday might have liked the gathering at Burlington House in September 2015 (). Surely, with the questioning eyes of his bust on the 1st floor corridor, the non-believer Michael Faraday has incited each passer-by to enter into discussion and search for deeper answers at the level of single molecules. In these concluding remarks, highlights of the presented papers and discussions are summarized, complemented by a conclusion on future perspectives. PMID:26606461

  12. Single molecule microscopy and spectroscopy: concluding remarks.

    PubMed

    van Hulst, Niek F

    2015-01-01

    Chemistry is all about molecules: control, synthesis, interaction and reaction of molecules. All too easily on a blackboard, one draws molecules, their structures and dynamics, to create an insightful picture. The dream is to see these molecules in reality. This is exactly what "Single Molecule Detection" provides: a look at molecules in action at ambient conditions; a breakthrough technology in chemistry, physics and biology. Within the realms of the Royal Society of Chemistry, the Faraday Discussion on "Single Molecule Microscopy and Spectroscopy" was a very appropriate topic for presentation, deliberation and debate. Undoubtedly, the Faraday Discussions have a splendid reputation in stimulating scientific debates along the traditions set by Michael Faraday. Interestingly, back in the 1830's, Faraday himself pursued an experiment that led to the idea that atoms in a compound were joined by an electrical component. He placed two opposite electrodes in a solution of water containing a dissolved compound, and observed that one of the elements of the compound accumulated on one electrode, while the other was deposited on the opposite electrode. Although Faraday was deeply opposed to atomism, he had to recognize that electrical forces were responsible for the joining of atoms. Probably a direct view on the atoms or molecules in his experiment would have convinced him. As such, Michael Faraday might have liked the gathering at Burlington House in September 2015 (). Surely, with the questioning eyes of his bust on the 1st floor corridor, the non-believer Michael Faraday has incited each passer-by to enter into discussion and search for deeper answers at the level of single molecules. In these concluding remarks, highlights of the presented papers and discussions are summarized, complemented by a conclusion on future perspectives.

  13. Detecting high-density ultracold molecules using atom-molecule collision

    NASA Astrophysics Data System (ADS)

    Chen, Jun-Ren; Kao, Cheng-Yang; Chen, Hung-Bin; Liu, Yi-Wei

    2013-04-01

    Utilizing single-photon photoassociation, we have achieved ultracold rubidium molecules with a high number density that provides a new efficient approach toward molecular quantum degeneracy. A new detection mechanism for ultracold molecules utilizing inelastic atom-molecule collision is demonstrated. The resonant coupling effect on the formation of the X1Σ+g ground state 85Rb2 allows for a sufficient number of more deeply bound ultracold molecules, which induced an additional trap loss and heating of the co-existing atoms owing to the inelastic atom-molecule collision. Therefore, after the photoassociation process, the ultracold molecules can be investigated using the absorption image of the ultracold rubidium atoms mixed with the molecules in a crossed optical dipole trap. The existence of the ultracold molecules was then verified, and the amount of accumulated molecules was measured. This method detects the final produced ultracold molecules, and hence is distinct from the conventional trap loss experiment, which is used to study the association resonance. It is composed of measurements of the time evolution of an atomic cloud and a decay model, by which the number density of the ultracold 85Rb2 molecules in the optical trap was estimated to be >5.2 × 1011 cm-3.

  14. Phononic Molecules Studied by Raman Scattering

    SciTech Connect

    Lanzillotti-Kimura, N. D.; Fainstein, A.; Jusserand, B.; Lemaitre, A.

    2010-01-04

    An acoustic nanocavity can confine phonons in such a way that they act like electrons in an atom. By combining two of these phononic-atoms, it is possible to form a phononic 'molecule', with acoustic modes that are similar to the electronic states in a hydrogen molecule. We report Raman scattering experiments performed in a monolithic structure formed by a phononic molecule embedded in an optical cavity. The acoustic mode splitting becomes evident through both the amplification and change of selection rules induced by the optical cavity confinement. The results are in perfect agreement with photoelastic model simulations.

  15. Life at the Single Molecule Level

    SciTech Connect

    Xie, Xiaoliang Sunny

    2011-03-04

    In a living cell, gene expression—the transcription of DNA to messenger RNA followed by translation to protein—occurs stochastically, as a consequence of the low copy number of DNA and mRNA molecules involved. Can one monitor these processes in a living cell in real time? How do cells with identical genes exhibit different phenotypes? Recent advances in single-molecule imaging in living bacterial cells allow these questions to be answered at the molecular level in a quantitative manner. It was found that rare events of single molecules can have important biological consequences.

  16. Chiral Isotropic Liquids from Achiral Molecules

    SciTech Connect

    L Hough; M Spannuth; M Nakata; D Coleman; C Jones; G Dantlgraber; C Tschierske; J Watanabe; N Clark; et al.

    2011-12-31

    A variety of simple bent-core molecules exhibit smectic liquid crystal phases of planar fluid layers that are spontaneously both polar and chiral in the absence of crystalline order. We found that because of intralayer structural mismatch, such layers are also only marginally stable against spontaneous saddle splay deformation, which is incompatible with long-range order. This results in macroscopically isotropic fluids that possess only short-range orientational and positional order, in which the only macroscopically broken symmetry is chirality - even though the phases are formed from achiral molecules. Their conglomerate domains exhibit optical rotatory powers comparable to the highest ever found for isotropic fluids of chiral molecules.

  17. Electron-impact-induced tryptophan molecule fragmentation

    NASA Astrophysics Data System (ADS)

    Tamuliene, Jelena; Romanova, Liudmila G.; Vukstich, Vasyl S.; Papp, Alexander V.; Snegursky, Alexander V.

    2015-01-01

    The fragmentation of a gas-phase tryptophan molecule by a low-energy (<70 eV) electron impact was studied both experimentally and theoretically. Various positively charged fragments were observed and analyzed. A special attention was paid to the energy characteristics of the ionic fragment yield. The geometrical parameters of the initial molecule rearrangement were also analyzed. The fragmentation observed was due to either a simple bond cleavage or more complex reactions involving molecular rearrangements. Contribution to the Topical Issue "Elementary Processes with Atoms and Molecules in Isolated and Aggregated States", edited by Friedrich Aumayr, Bratislav Marinkovic, Stefan Matejcik, John Tanis and Kurt H. Becker.

  18. Circularly Polarized Luminescence from Simple Organic Molecules

    PubMed Central

    Sánchez-Carnerero, Esther M.; Agarrabeitia, Antonia R.; Moreno, Florencio; Maroto, Beatriz L.; Muller, Gilles; Ortiz, María J.

    2015-01-01

    This article aims to show the identity of “CPL-active simple organic molecules” as a new concept in Organic Chemistry due to the potential interest of these molecules, as availed by the exponentially growing number of research articles related to them. In particular, it describes and highlights the interest and difficulty in developing chiral simple (small and nonaggregated) organic molecules able to emit left- or right-circularly polarized light efficiently, the efforts realized up to now to reach this challenging objective, and the most significant milestones achieved to date. General guidelines for the preparation of these interesting molecules are also presented. PMID:26136234

  19. Small Molecules from the Human Microbiota

    PubMed Central

    Donia, Mohamed S.; Fischbach, Michael A.

    2015-01-01

    Developments in the use of genomics to guide natural product discovery and a recent emphasis on understanding the molecular mechanisms of microbiota-host interactions have converged on the discovery of natural products from the human microbiome. Here, we review what is known about small molecules produced by the human microbiota. Numerous molecules representing each of the major metabolite classes have been found that have a variety of biological activities, including immune modulation and antibiosis. We discuss technologies that will affect how microbiota-derived molecules are discovered in the future, and consider the challenges inherent in finding specific molecules that are critical for driving microbe-host and microbe-microbe interactions and their biological relevance. PMID:26206939

  20. Single-Molecule Studies in Live Cells

    NASA Astrophysics Data System (ADS)

    Yu, Ji

    2016-05-01

    Live-cell single-molecule experiments are now widely used to study complex biological processes such as signal transduction, self-assembly, active trafficking, and gene regulation. These experiments' increased popularity results in part from rapid methodological developments that have significantly lowered the technical barriers to performing them. Another important advance is the development of novel statistical algorithms, which, by modeling the stochastic behaviors of single molecules, can be used to extract systemic parameters describing the in vivo biochemistry or super-resolution localization of biological molecules within their physiological environment. This review discusses recent advances in experimental and computational strategies for live-cell single-molecule studies, as well as a selected subset of biological studies that have utilized these new technologies.

  1. Synaptic Cell Adhesion Molecules in Alzheimer's Disease

    PubMed Central

    Leshchyns'ka, Iryna

    2016-01-01

    Alzheimer's disease (AD) is a neurodegenerative brain disorder associated with the loss of synapses between neurons in the brain. Synaptic cell adhesion molecules are cell surface glycoproteins which are expressed at the synaptic plasma membranes of neurons. These proteins play key roles in formation and maintenance of synapses and regulation of synaptic plasticity. Genetic studies and biochemical analysis of the human brain tissue, cerebrospinal fluid, and sera from AD patients indicate that levels and function of synaptic cell adhesion molecules are affected in AD. Synaptic cell adhesion molecules interact with Aβ, a peptide accumulating in AD brains, which affects their expression and synaptic localization. Synaptic cell adhesion molecules also regulate the production of Aβ via interaction with the key enzymes involved in Aβ formation. Aβ-dependent changes in synaptic adhesion affect the function and integrity of synapses suggesting that alterations in synaptic adhesion play key roles in the disruption of neuronal networks in AD. PMID:27242933

  2. Electronic Structure of Small Lanthanide Containing Molecules

    NASA Astrophysics Data System (ADS)

    Kafader, Jared O.; Ray, Manisha; Topolski, Josey E.; Chick Jarrold, Caroline

    2016-06-01

    Lanthanide-based materials have unusual electronic properties because of the high number of electronic degrees of freedom arising from partial occupation of 4f orbitals, which make these materials optimal for their utilization in many applications including electronics and catalysis. Electronic spectroscopy of small lanthanide molecules helps us understand the role of these 4f electrons, which are generally considered core-like because of orbital contraction, but are energetically similar to valence electrons. The spectroscopy of small lanthanide-containing molecules is relatively unexplored and to broaden this understanding we have completed the characterization of small cerium, praseodymium, and europium molecules using photoelectron spectroscopy coupled with DFT calculations. The characterization of PrO, EuH, EuO/EuOH, and CexOy molecules have allowed for the determination of their electron affinity, the assignment of numerous anion to neutral state transitions, modeling of anion/neutral structures and electron orbital occupation.

  3. Stochastic Models of Molecule Formation on Dust

    NASA Technical Reports Server (NTRS)

    Charnley, Steven; Wirstroem, Eva

    2011-01-01

    We will present new theoretical models for the formation of molecules on dust. The growth of ice mantles and their layered structure is accounted for and compared directly to observations through simulation of the expected ice absorption spectra

  4. Final Report: Cooling Molecules with Laser Light

    SciTech Connect

    Di Rosa, Michael D.

    2012-05-08

    Certain diatomic molecules are disposed to laser cooling in the way successfully applied to certain atoms and that ushered in a revolution in ultracold atomic physics, an identification first made at Los Alamos and which took root during this program. Despite their manipulation into numerous achievements, atoms are nonetheless mundane denizens of the quantum world. Molecules, on the other hand, with their internal degrees of freedom and rich dynamical interplay, provide considerably more complexity. Two main goals of this program were to demonstrate the feasibility of laser-cooling molecules to the same temperatures as laser-cooled atoms and introduce a means for collecting laser-cooled molecules into dense ensembles, a foundational start of studies and applications of ultracold matter without equivalence in atomic systems.

  5. Laser Spectroscopy of Atoms and Molecules.

    ERIC Educational Resources Information Center

    Schawlow, Arthur L.

    1978-01-01

    Surveys new laser techniques and a variety of spectroscopic experiments that can be used to detect, measure and study very small numbers of atoms on molecules. The range of applicability of these techniques is also included. (HM)

  6. Polyatomic molecules under intense femtosecond laser irradiation.

    PubMed

    Konar, Arkaprabha; Shu, Yinan; Lozovoy, Vadim V; Jackson, James E; Levine, Benjamin G; Dantus, Marcos

    2014-12-11

    Interaction of intense laser pulses with atoms and molecules is at the forefront of atomic, molecular, and optical physics. It is the gateway to powerful new tools that include above threshold ionization, high harmonic generation, electron diffraction, molecular tomography, and attosecond pulse generation. Intense laser pulses are ideal for probing and manipulating chemical bonding. Though the behavior of atoms in strong fields has been well studied, molecules under intense fields are not as well understood and current models have failed in certain important aspects. Molecules, as opposed to atoms, present confounding possibilities of nuclear and electronic motion upon excitation. The dynamics and fragmentation patterns in response to the laser field are structure sensitive; therefore, a molecule cannot simply be treated as a "bag of atoms" during field induced ionization. In this article we present a set of experiments and theoretical calculations exploring the behavior of a large collection of aryl alkyl ketones when irradiated with intense femtosecond pulses. Specifically, we consider to what extent molecules retain their molecular identity and properties under strong laser fields. Using time-of-flight mass spectrometry in conjunction with pump-probe techniques we study the dynamical behavior of these molecules, monitoring ion yield modulation caused by intramolecular motions post ionization. The set of molecules studied is further divided into smaller sets, sorted by type and position of functional groups. The pump-probe time-delay scans show that among positional isomers the variations in relative energies, which amount to only a few hundred millielectronvolts, influence the dynamical behavior of the molecules despite their having experienced such high fields (V/Å). High level ab initio quantum chemical calculations were performed to predict molecular dynamics along with single and multiphoton resonances in the neutral and ionic states. We propose the

  7. Intercellular adhesion molecule-1 in the heart.

    PubMed

    Niessen, Hans W M; Krijnen, Paul A J; Visser, Cees A; Meijer, Chris J L M; Hack, C Erik

    2002-11-01

    Intercellular adhesion molecule-1 (ICAM-1) belongs to the superfamily of immunoglobulin-like adhesion molecules. Up-regulation of ICAM-1 occurs in many different pathophysiological processes. Also, cardiomyocytes can express ICAM-1-for example, in acute myocardial infarction. Moreover, inhibition of ICAM-1 expression in the heart dramatically reduces infarct size. Hence, inhibitors of ICAM-1 may provide a novel therapeutic option for acute myocardial infarction.

  8. Recovery of tritium from tritiated molecules

    DOEpatents

    Swansiger, W.A.

    1984-10-17

    This invention relates to the recovery of tritium from various tritiated molecules by reaction with uranium. More particularly, the invention relates to the recovery of tritium from tritiated molecules by reaction with uranium wherein the reaction is conducted in a reactor which permits the reaction to occur as a moving front reaction from the point where the tritium enters the reactor charged with uranium down the reactor until the uranium is exhausted.

  9. Hadronic molecules in the heavy baryon spectrum

    NASA Astrophysics Data System (ADS)

    Entem, D. R.; Ortega, P. G.; Fernández, F.

    2016-01-01

    We study possible baryon molecules in the non-strange heavy baryon spectrum. We include configurations with a heavy-meson and a light baryon. We find several structures, in particular we can understand the Λc(2940) as a D*N molecule with JP = 3/2- quantum numbers. We also find D(*)Δ candidates for the recently discovered Xc(3250) resonance.

  10. Do triatomic molecules echo atomic periodicity?

    SciTech Connect

    Hefferlin, R. Barrow, J.

    2015-03-30

    Demonstrations of periodicity among triatomic-molecular spectroscopic constants underscore the role of the periodic law as a foundation of chemistry. The objective of this work is to prepare for another test using vibration frequencies ν{sub 1} of free, ground-state, main-group triatomic molecules. Using data from four data bases and from computation, we have collected ν{sub 1} data for molecules formed from second period atoms.

  11. Modelling water molecules inside cyclic peptide nanotubes

    NASA Astrophysics Data System (ADS)

    Tiangtrong, Prangsai; Thamwattana, Ngamta; Baowan, Duangkamon

    2016-03-01

    Cyclic peptide nanotubes occur during the self-assembly process of cyclic peptides. Due to the ease of synthesis and ability to control the properties of outer surface and inner diameter by manipulating the functional side chains and the number of amino acids, cyclic peptide nanotubes have attracted much interest from many research areas. A potential application of peptide nanotubes is their use as artificial transmembrane channels for transporting ions, biomolecules and waters into cells. Here, we use the Lennard-Jones potential and a continuum approach to study the interaction of a water molecule in a cyclo[(- D-Ala- L-Ala)_4-] peptide nanotube. Assuming that each unit of a nanotube comprises an inner and an outer tube and that a water molecule is made up of a sphere of two hydrogen atoms uniformly distributed over its surface and a single oxygen atom at the centre, we determine analytically the interaction energy of the water molecule and the peptide nanotube. Using this energy, we find that, independent of the number of peptide units, the water molecule will be accepted inside the nanotube. Once inside the nanotube, we show that a water molecule prefers to be off-axis, closer to the surface of the inner nanotube. Furthermore, our study of two water molecules inside the peptide nanotube supports the finding that water molecules form an array of a 1-2-1-2 file inside peptide nanotubes. The theoretical study presented here can facilitate thorough understanding of the behaviour of water molecules inside peptide nanotubes for applications, such as artificial transmembrane channels.

  12. Tests of Lorentz invariance using hydrogen molecules

    SciTech Connect

    Mueller, Holger; Herrmann, Sven; Saenz, Alejandro; Peters, Achim; Laemmerzahl, Claus

    2004-10-01

    We discuss the consequences of Lorentz violation (as expressed within the Lorentz-violating extension of the standard model) for the hydrogen molecule, which represents a generic model of a molecular binding. Lorentz-violating shifts of electronic, vibrational and rotational energy levels, and of the internuclear distance are calculated. This offers the possibility of obtaining improved bounds on Lorentz invariance by experiments using molecules.

  13. Auxin biology revealed by small molecules.

    PubMed

    Ma, Qian; Robert, Stéphanie

    2014-05-01

    The plant hormone auxin regulates virtually every aspect of plant growth and development and unraveling its molecular and cellular modes of action is fundamental for plant biology research. Chemical genomics is the use of small molecules to modify protein functions. This approach currently rises as a powerful technology for basic research. Small compounds with auxin-like activities or affecting auxin-mediated biological processes have been widely used in auxin research. They can serve as a tool complementary to genetic and genomic methods, facilitating the identification of an array of components modulating auxin metabolism, transport and signaling. The employment of high-throughput screening technologies combined with informatics-based chemical design and organic chemical synthesis has since yielded many novel small molecules with more instantaneous, precise and specific functionalities. By applying those small molecules, novel molecular targets can be isolated to further understand and dissect auxin-related pathways and networks that otherwise are too complex to be elucidated only by gene-based methods. Here, we will review examples of recently characterized molecules used in auxin research, highlight the strategies of unraveling the mechanisms of these small molecules and discuss future perspectives of small molecule applications in auxin biology. PMID:24252105

  14. A prototype storage ring for neutral molecules.

    PubMed

    Crompvoets, F M; Bethlem, H L; Jongma, R T; Meijer, G

    2001-05-10

    The ability to cool and manipulate atoms with light has yielded atom interferometry, precision spectroscopy, Bose-Einstein condensates and atom lasers. The extension of controlled manipulation to molecules is expected to be similarly rewarding, but molecules are not as amenable to manipulation by light owing to a far more complex energy-level spectrum. However, time-varying electric and magnetic fields have been successfully used to control the position and velocity of ions, suggesting that these schemes can also be used to manipulate neutral particles having an electric or magnetic dipole moment. Although the forces exerted on neutral species are many orders of magnitude smaller than those exerted on ions, beams of neutral dipolar molecules have been successfully slowed down in a series of pulsed electric fields and subsequently loaded into an electrostatic trap. Here we extend the scheme to include a prototype electrostatic storage ring made of a hexapole torus with a circumference of 80 cm. After injection, decelerated bunches of deuterated ammonia molecules, each containing about 106 molecules in a single quantum state and with a translational temperature of 10 mK, travel up to six times around the ring. Stochastic cooling might provide a means to increase the phase-space density of the stored molecules in the storage ring, and we expect this to open up new opportunities for molecular spectroscopy and studies of cold molecular collisions.

  15. Self-Assemblies of novel molecules, VECAR

    NASA Astrophysics Data System (ADS)

    Shrestha, Bijay; Kim, Hye-Young; Lee, Soojin; Novak, Brian; Moldovan, Dorel

    2015-03-01

    VECAR is a newly synthesized molecule, which is an amphiphilic antioxidant molecule that consists of two molecular groups, vitamin-E and Carnosine, linked by a hydrocarbon chain. The hydrocarbon chain is hydrophobic and both vitamin-E and Carnosine ends are hydrophilic. In the synthesis process, the length of the hydrophobic chain of VECAR molecules can vary from the shortest (n =0) to the longest (n =18), where n indicates the number of carbon atoms in the chain. We conducted MD simulation studies of self-assembly of VECAR molecules in water using GROMACS on LONI HPC resources. Our study shows that there is a strong correlation between the shape and atomistic structure of the self-assembled nano-structures (SANs) and the chain-length (n) of VECAR molecules. We will report the results of data analyses including the atomistic structure of each SANs and the dynamic and energetic mechanisms of their formation as function of time. In summary, both VECAR molecules of chain-length n =18 and 9 form worm-like micelles, which may be used as a drug delivery system. This research is supported by the Louisiana Board of Regents-RCS Grant (LEQSF(2012-15)-RD-A-19).

  16. Chemical Recycling of Molecules in Cometary Comae

    NASA Astrophysics Data System (ADS)

    Boice, Daniel C.; Kawakita, Hideyo; Shinnaka, Yoshiharu; Kobayashi, Hitomi

    2015-08-01

    Modeling is essential to understand the important physical and chemical processes that occur in cometary comae, especially the relationship between native and sibling molecules, such as, HCN and CN. Photochemistry is a major source of ions and electrons that further initiate key gas-phase reactions, leading to the plethora of molecules and atoms observed in comets. The effects of photoelectrons that react via impacts are important to the overall ionization in the inner coma. We have found that many molecules undergo protonation reactions with primarily water, followed by electron recombination resulting in the original molecules in a vibrationally excited state. These excited molecules spontaneously emit photons back to the ground state. We identify this series of reactions as chemical “recycling.” We discuss the importance of this mechanism for HCN, NH3, and water in comets. We also identify other relevant processes in the collision-dominated, inner coma of a comet within a global modeling framework to better understand observations and in situ measurements of cometary species, especially relationships between native and sibling molecules for the Rosetta Mission to Comet 67P/Churyumov-Gerasimenko.Acknowledgements: We appreciate support from the NSF Planetary Astronomy Program under Grant No. 0908529. This program is partially supported by the MEXT Supported Program for the Strategic Research Foundation at Private Universities, 2014-2018.

  17. Nonlinear Dynamics of Atom-Molecule Conversion

    NASA Astrophysics Data System (ADS)

    Fu, Li-Bin; Liu, Jie

    2014-03-01

    The creation of ultracold molecules has opened up new possibilities for studies on molecular matter waves, strongly interacting superfluids, high-precision molecular spectroscopy and coherent molecular optics. In an atomic Bose-Einstein condensate (BEC) and a degenerate Fermi-Fermi or Fermi-Bose mixture, magnetic Feshbach resonance or optical photoassociation (PA) technique has been used to create not only diatomic molecules but also more complex molecules. In this chapter, we focus on many issues of nonlinear dynamics of atom-molecule systems. In Sec. 1, on the basis of the two-channelmean-field approach, we study the manybody effects on the Landau-Zener(LZ) picture of two-body molecular production through dramatically distorting the energy levels near the Feshbach resonance. In Sec. 2, we investigate the Feshbach resonance with modulation of an oscillating magnetic field. In Sec. 3, we include the nonlinear interparticle collisions and focus on the linear instability induced by the collisions and the adiabatic fidelity of the atom-trimer dark state in a stimulated Raman adiabatic passage (STIRAP). In Sec. 4, we theoretically investigate conversion problem from atom to N-body polyatomic molecule in an ultracold bosonic system by implementing the generalized STIRAP. In the last section, we discuss role of two-body interactions in the Feshbach conversion of fermionic atoms to bosonic molecules.

  18. Vibrational Cooling of Photoassociated Homonuclear Cold Molecules

    NASA Astrophysics Data System (ADS)

    Passagem, Henry; Ventura, Paulo; Tallant, Jonathan; Marcassa, Luis

    2015-05-01

    In this work, we produce vibrationally cold homonuclear Rb molecules using spontaneous optical pumping. The vibrationally cooled molecules are produced in three steps. In the first step, we use a photoassociation laser to produce molecules in high vibrational levels of the singlet ground state. Then in a second step, a 50 W broadband laser at 1071 nm, which bandwidth is about 2 nm, is used to transfer the molecules to lower vibrational levels via optical pumping through the excited state. This process transfers the molecules from vibrational levels around ν ~= 113 to a distribution of levels below ν = 35 . The molecules can be further cooled using a broadband light source near 685 nm. In order to obtain such broadband source, we have used a 5 mW superluminescent diode, which is amplified in a tapered amplifier using a double pass configuration. After the amplification, the spectrum is properly shaped and we end up with about 90 mW distributed in the 682-689 nm range. The final vibrational distribution is probed using resonance-enhanced multiphoton ionization with a pulsed dye laser near 670 nm operating at 4KHz. The results are presented and compared with theoretical simulations. This work was supported by Fapesp and INCT-IQ.

  19. Sol-gel method for encapsulating molecules

    DOEpatents

    Brinker, C. Jeffrey; Ashley, Carol S.; Bhatia, Rimple; Singh, Anup K.

    2002-01-01

    A method for encapsulating organic molecules, and in particular, biomolecules using sol-gel chemistry. A silica sol is prepared from an aqueous alkali metal silicate solution, such as a mixture of silicon dioxide and sodium or potassium oxide in water. The pH is adjusted to a suitably low value to stabilize the sol by minimizing the rate of siloxane condensation, thereby allowing storage stability of the sol prior to gelation. The organic molecules, generally in solution, is then added with the organic molecules being encapsulated in the sol matrix. After aging, either a thin film can be prepared or a gel can be formed with the encapsulated molecules. Depending upon the acid used, pH, and other processing conditions, the gelation time can be from one minute up to several days. In the method of the present invention, no alcohols are generated as by-products during the sol-gel and encapsulation steps. The organic molecules can be added at any desired pH value, where the pH value is generally chosen to achieve the desired reactivity of the organic molecules. The method of the present invention thereby presents a sufficiently mild encapsulation method to retain a significant portion of the activity of the biomolecules, compared with the activity of the biomolecules in free solution.

  20. Single Molecule Conductance of Oligothiophene Derivatives

    NASA Astrophysics Data System (ADS)

    Dell, Emma J.

    This thesis studies the electronic properties of small organic molecules based on the thiophene motif. If we are to build next-generation devices, advanced materials must be designed which possess requisite electronic functionality. Molecules present attractive candidates for these ad- vanced materials since nanoscale devices are particularly sought after. However, selecting a molecule that is suited to a certain electronic function remains a challenge, and characterization of electronic behavior is therefore critical. Single molecule conductance measurements are a powerful tool to determine properties on the nanoscale and, as such, can be used to investigate novel building blocks that may fulfill the design requirements of next-generation devices. Combining these conductance results with strategic chemical synthesis allows for the development of new families of molecules that show attractive properties for future electronic devices. Since thiophene rings are the fruitflies of organic semiconductors on the bulk scale, they present an intriguing starting point for building functional materials on the nanoscale, and therefore form the structural basis of all molecules studied herein. First, the single-molecule conductance of a family of bithiophene derivatives was measured. A broad distribution in the single-molecule conductance of bithiophene was found compared with that of a biphenyl. This increased breadth in the conductance distribution was shown to be explained by the difference in 5-fold symmetry of thiophene rings as compared to the 6-fold symmetry of benzene rings. The reduced symmetry of thiophene rings results in a restriction on the torsion angle space available to these molecules when bound between two metal electrodes in a junction, causing each molecular junction to sample a different set of conformers in the conductance measurements. By contrast, the rotations of biphenyl are essentially unimpeded by junction binding, allowing each molecular junction

  1. Isomerization reactions on single adsorbed molecules.

    PubMed

    Morgenstern, Karina

    2009-02-17

    Molecular switches occur throughout nature. In one prominent example, light induces the isomerization of retinal from the compact 11-cis form to the elongated all-trans form, a conversion that triggers the transformation of light into a neural impulse in the eye. Applying these natural principles to synthetic systems offers a promising way to construct smaller and faster nanoelectronic devices. In such systems, electronic switches are essential components for storage and logical operations. The development of molecular switches on the single-molecule level would represent a major step toward incorporating molecules as building units into nanoelectronic circuits. Molecular switches must be both reversible and bistable. To meet these requirements, a molecule must have at least two different thermally stable forms and a way to repeatedly interconvert between those forms based on changes in light, heat, pressure, magnetic or electric fields, pH, mechanical forces, or electric currents. The conversion should be connected to a measurable change in electronic, optical, magnetic, or mechanical properties. Because isomers can differ significantly in physical and chemical properties, isomerization could serve as a molecular switching mechanism. Integration of molecular switches into larger circuits will probably require arranging them on surfaces, which will require a better understanding of isomerization reactions in these environments. In this Account, we describe our scanning tunneling microscopy studies of the isomerization of individual molecules adsorbed on metal surfaces. Investigating chlorobenzene and azobenzene derivatives on the fcc(111) faces of Ag, Cu, and Au, we explored the influence of substituents and the substrate on the excitation mechanism of the isomerization reaction induced by inelastically tunneling electrons. We achieved an irreversible configurational (cis-trans) isomerization of individual 4-dimethyl-amino-azobenzene-4-sulfonic acid molecules on Au

  2. Novel macrocyclic molecules based on 12a-N substituted 16-membered azalides and azalactams as potential antifungal agents.

    PubMed

    Wang, Xiaolei; Zhang, Shun; Pang, Yanlong; Yuan, Huihui; Liang, Xiaomei; Zhang, Jianjun; Wang, Daoquan; Wang, Mingan; Dong, Yanhong

    2014-02-12

    Novel macrocyclic molecules comprising sulfonyl and acyl moiety at the position N-12a of 16-membered azalides (6a-n) and azalactams (10a-r) scaffold were synthesized from cyclododecanone 1 as starting material via 5 steps and 4 steps, respectively. The antifungal activity of these compounds against Sclerotinia sclerotiorum, Pyricularia oryzae, Botrytis cinerea, Rhizoctonia solani and Phytophthora capsici were evaluated and found that compounds possessing α-exomethylene (6c, 6d, 6e and 6g) showed antifungal activity comparable to commercial fungicide Chlorothalonil against P. oryzae and compounds possessing p-chlorobenzoyl exhibited enhanced antifungal activity than those with other substituents against S. sclerotiorum, P. oryzae, and B. cinerea. These findings suggested that the α-exomethylene and p-chlorobenzoyl may be two potential pharmacological active groups with antifungal activities. PMID:24469079

  3. Mining for Molecules in the Milky Way

    NASA Astrophysics Data System (ADS)

    2008-06-01

    Scientists are using the giant Robert C. Byrd Green Bank Telescope (GBT) to go prospecting in a rich molecular cloud in our Milky Way Galaxy. They seek to discover new, complex molecules in interstellar space that may be precursors to life. The GBT and Molecules The Robert C. Byrd Green Bank Telescope and some molecules it has discovered. CREDIT: Bill Saxton, NRAO/AUI/NSF "Clouds like this one are the raw material for new stars and planets. We know that complex chemistry builds prebiotic molecules in such clouds long before the stars and planets are formed. There is a good chance that some of these interstellar molecules may find their way to the surface of young planets such as the early Earth, and provide a head start for the chemistry of life. For the first time, we now have the capability to make a very thorough and methodical search to find all the chemicals in the clouds," said Anthony Remijan, of the National Radio Astronomy Observatory (NRAO). In the past three years, Remijan and his colleagues have used the GBT to discover ten new interstellar molecules, a feat unequalled in such a short time by any other team or telescope. The scientists discovered those molecules by looking specifically for them. However, they now are changing their strategy and casting a wide net designed to find whatever molecules are present, without knowing in advance what they'll find. In addition, they are making their data available freely to other scientists, in hopes of speeding the discovery process. The research team presented its plan to the American Astronomical Society's meeting in St. Louis, MO. As molecules rotate and vibrate, they emit radio waves at specific frequencies. Each molecule has a unique pattern of such frequencies, called spectral lines, that constitutes a "fingerprint" identifying that molecule. Laboratory tests can determine the pattern of spectral lines that identifies a specific molecule. Most past discoveries came from identifying a molecule's pattern in

  4. What is the minimum number of water molecules required to dissolve a potassium chloride molecule?

    PubMed

    Sen, Anik; Ganguly, Bishwajit

    2010-12-01

    This work answers an unsolved question that consists of determining the least number of water molecules necessary to separate a potassium chloride molecule. The answer based on accurate quantum chemical calculations suggests that tetramers are the smallest clusters necessary to dissociate KCl molecules. The study was made with Møller-Plesset second-order perturbation theory modified with the cluster theory having single, double, and perturbative triple excitations. With this extensive study, the dissociation of KCl molecule in different water clusters was evaluated. The calculated results show that four water molecules stabilize a solvent separated K(+)/Cl(-) ion-pair in prismatic structure and with six water molecules further dissociation was observed. Attenuated total reflection infrared spectroscopy of KCl dissolved in water establishes that clusters are made of closely bound ions with a mean of five water molecules per ion-pair [K(+)(H(2)O)(5)Cl(-)]. (Max and Chapados, Appl Spectrosc 1999, 53, 1601; Max and Chapados, J Chem Phys 2001, 115, 2664.) The calculated results tend to support that five water molecules leads toward the formation of contact ion-pair. The structures, energies, and infrared spectra of KCl molecules in different water clusters are also discussed.

  5. Fluorescence Detection of Single DNA Molecules.

    PubMed

    Huang, Weidong; Wang, Yue; Wang, Zhimin

    2015-09-01

    Single-molecule detection (SMD) and single-molecule fluorescence resonance energy transfer (smFRET) were conducted using Cy3- and Cy5-labeled single-strand DNAs (ssDNAs) either immobilized on substrates or encapsulated in microdroplets. High-quality fluorescent images were obtained using a total internal reflection fluorescence microscope (TIRFM). In the substrate system, deposition of a low concentration of fluorescence molecules on substrates through electrostatic adsorption showed that most of the fluorescence spots were single molecules, and the mean value of signal to noise ratio (S/N) reached 6.9 ± 0.34. smFRET analysis was conducted through immobilization of donor- and acceptor-labeled oligonucleotides on substrates. In the droplet system, fluorophor-labeled oligonucleotides were injected into T-type microfluidics. Single and double fluorophor-labeled DNA molecules encapsulated in droplets were detected, the FRET efficiency and inter-dye distance of a single donor-acceptor pair were measured accurately. smFRET was conducted detailedly in the tortuous channel for the first time.

  6. Optimal Superpositioning of Flexible Molecule Ensembles

    PubMed Central

    Gapsys, Vytautas; de Groot, Bert L.

    2013-01-01

    Analysis of the internal dynamics of a biological molecule requires the successful removal of overall translation and rotation. Particularly for flexible or intrinsically disordered peptides, this is a challenging task due to the absence of a well-defined reference structure that could be used for superpositioning. In this work, we started the analysis with a widely known formulation of an objective for the problem of superimposing a set of multiple molecules as variance minimization over an ensemble. A negative effect of this superpositioning method is the introduction of ambiguous rotations, where different rotation matrices may be applied to structurally similar molecules. We developed two algorithms to resolve the suboptimal rotations. The first approach minimizes the variance together with the distance of a structure to a preceding molecule in the ensemble. The second algorithm seeks for minimal variance together with the distance to the nearest neighbors of each structure. The newly developed methods were applied to molecular-dynamics trajectories and normal-mode ensembles of the Aβ peptide, RS peptide, and lysozyme. These new (to our knowledge) superpositioning methods combine the benefits of variance and distance between nearest-neighbor(s) minimization, providing a solution for the analysis of intrinsic motions of flexible molecules and resolving ambiguous rotations. PMID:23332072

  7. Assembling Ultracold Polar Molecules From Single Atoms

    NASA Astrophysics Data System (ADS)

    Liu, Lee R.; Hutzler, Nicholas R.; Yu, Yichao; Zhang, Jessie T.; Ni, Kang-Kuen

    2016-05-01

    Ultracold polar molecules are promising candidates for studying quantum many-body phenomena and building quantum information systems, due to their long-range, anisotropic, and tunable interactions. This calls for a technique to create low entropy samples of ultracold polar molecules with a large dipole moment. The lowest entropy molecular gas to date was created from atomic quantum gases in bulk or in optical lattices. The entropy is limited by that of the constituent atomic gases. We propose a method that addresses this limitation by assembling sodium cesium (NaCs) molecules from individually manipulated atoms. First, we load single Na and Cs atoms in separate optical tweezers from MOTs. We will cool them to their motional ground state using Raman sideband cooling and then merge them into a single tweezer. The tweezer confinement provides enhanced wavefunction overlap between the atom pair and molecule states. Using coherent two-photon techniques, we will then transfer the atom pair into a molecule. Our method offers reduced apparatus complexity and cycle time, single-site manipulation and imaging resolution, and should be readily extended to different species.

  8. Figuration and detection of single molecules

    NASA Astrophysics Data System (ADS)

    Nevels, R.; Welch, G. R.; Cremer, P. S.; Hemmer, P.; Phillips, T.; Scully, S.; Sokolov, A. V.; Svidzinsky, A. A.; Xia, H.; Zheltikov, A.; Scully, M. O.

    2012-08-01

    Recent advances in the description of atoms and molecules based on Dimensional scaling analysis, developed by Dudley Herschbach and co-workers, provided new insights into visualization of molecular structure and chemical bonding. Prof. Herschbach is also a giant in the field of single molecule scattering. We here report on the engineering of molecular detectors. Such systems have a wide range of application from medical diagnostics to the monitoring of chemical, biological and environmental hazards. We discuss ways to identify preselected molecules, in particular, mycotoxin contaminants using coherent laser spectroscopy. Mycotoxin contaminants, e.g. aflatoxin B1 which is present in corn and peanuts, are usually analysed by time-consuming microscopic, chemical and biological assays. We present a new approach that derives from recent experiments in which molecules are prepared by one (or more) femtosecond laser(s) and probed by another set. We call this technique FAST CARS (femto second adaptive spectroscopic technique for coherent anti-Stokes Raman spectroscopy). We propose and analyse ways in which FAST CARS can be used to identify preselected molecules, e.g. aflatoxin, rapidly and economically.

  9. Small Molecule Immunosensing Using Surface Plasmon Resonance

    PubMed Central

    Mitchell, John

    2010-01-01

    Surface plasmon resonance (SPR) biosensors utilize refractive index changes to sensitively detect mass changes at noble metal sensor surface interfaces. As such, they have been extensively applied to immunoassays of large molecules, where their high mass and use of sandwich immunoassay formats can result in excellent sensitivity. Small molecule immunosensing using SPR is more challenging. It requires antibodies or high-mass or noble metal labels to provide the required signal for ultrasensitive assays. Also, it can suffer from steric hindrance between the small antigen and large antibodies. However, new studies are increasingly meeting these and other challenges to offer highly sensitive small molecule immunosensor technologies through careful consideration of sensor interface design and signal enhancement. This review examines the application of SPR transduction technologies to small molecule immunoassays directed to different classes of small molecule antigens, including the steroid hormones, toxins, drugs and explosives residues. Also considered are the matrix effects resulting from measurement in chemically complex samples, the construction of stable sensor surfaces and the development of multiplexed assays capable of detecting several compounds at once. Assay design approaches are discussed and related to the sensitivities obtained. PMID:22163605

  10. Modelling the spectroscopic behaviour of hot molecules

    NASA Astrophysics Data System (ADS)

    Tennyson, Jonathan

    2010-05-01

    At elevated temperatures the molecules absorb and emit light in a very complicated fashion which is hard to characterise on the basis of laboraroty measurement. Computed line lists of molecule transitions therefore provide a vital input for models of hot atmospheres. I will describe the calculation and use of such line lists including the BT2 water line list [1], which contains some 500 million distinct rotation-vibration transitions. This linelist proved crucial in the detection of water in extrasolar planet HD189733b and has been used extensively in atmospheric modelling. Illustrations will be given at the meeting. A new linelist for the ammonia molecule has just been completed [2] which shows that standard compilations for this molecule need to be improved. Progress on a more extensive linelist for hot ammonia and linelists for other molecules will be discussed at the meeting. [1] R.J. Barber, J. Tennyson, G.J. Harris and R.N. Tolchenov, Mon. Not. R. Astr. Soc., 368, 1087-1094 (2006) [2] S.N. Yurchenko, R.J. Barber, A. Yachmenev, W. Theil, P. Jensen and J. Tennyson, J. Phys. Chem. A, 113, 11845-11855 (2009).

  11. Feshbach molecule production in fermionic atomic gases

    NASA Astrophysics Data System (ADS)

    Gurarie, V.

    2009-08-01

    This paper examines the problem of molecule production in an atomic fermionic gas close to an s -wave Feshbach resonance by means of a magnetic field sweep through the resonance. In the solvable case of a narrow resonance, the density of molecules at the end of the process is derived for a slow sweep. It is shown that the density of the produced molecules is lower than what an application of a naive Landau-Zener formula for level crossing would imply. However, in the limit of a very slow sweep it is still possible to achieve full conversion of fermions into the molecules. It appears that the origin of the failure of the Landau-Zener picture of the molecule production is due to the fact that the sweep goes through a quantum phase transition in the limit of an infinitely narrow resonance, in agreement with general results recently discussed in the literature. However, the precise connection of this problem to other problems with this feature is not established.

  12. Medium Effects in Single Molecule Electronics

    NASA Astrophysics Data System (ADS)

    Higgins, Simon

    2010-03-01

    We use STM-based techniques for measuring the electrical properties of metal|molecule|metal junctions. For a family of molecules HS(CH2)6-Ar-(CH2)6SH (Ar = substituted benzene), we found that the single molecule conductances varied significantly with substituent, being higher for electron-donating substituents [1]. Later, we studied the effect of increasing conjugation on this system by examining oligothiophenes HS(CH2)6-[C4H4S]x-(CH2)6SH (x = 1, 2, 3, 5). We found that the conductances of junctions involving these molecules depended upon the medium in which the measurements were made. In fact, for x = 3, the conductance was two orders of magnitude higher in the presence of water than in anhydrous conditions [2]. This presentation will outline these studies, together with the results of transport calculations that rationalise these unusual findings, and will set the results in the context of existing literature on medium effects in single molecule conductance determinations. In collaboration with Edmund Leary and Richard Nichols, University of Liverpool; Colin Lambert, Iain Grace, and Chris Finch, University of Lancaster; and Wolfgang Haiss, University of Liverpool.

  13. Mining for Molecules in the Milky Way

    NASA Astrophysics Data System (ADS)

    2008-06-01

    Scientists are using the giant Robert C. Byrd Green Bank Telescope (GBT) to go prospecting in a rich molecular cloud in our Milky Way Galaxy. They seek to discover new, complex molecules in interstellar space that may be precursors to life. The GBT and Molecules The Robert C. Byrd Green Bank Telescope and some molecules it has discovered. CREDIT: Bill Saxton, NRAO/AUI/NSF "Clouds like this one are the raw material for new stars and planets. We know that complex chemistry builds prebiotic molecules in such clouds long before the stars and planets are formed. There is a good chance that some of these interstellar molecules may find their way to the surface of young planets such as the early Earth, and provide a head start for the chemistry of life. For the first time, we now have the capability to make a very thorough and methodical search to find all the chemicals in the clouds," said Anthony Remijan, of the National Radio Astronomy Observatory (NRAO). In the past three years, Remijan and his colleagues have used the GBT to discover ten new interstellar molecules, a feat unequalled in such a short time by any other team or telescope. The scientists discovered those molecules by looking specifically for them. However, they now are changing their strategy and casting a wide net designed to find whatever molecules are present, without knowing in advance what they'll find. In addition, they are making their data available freely to other scientists, in hopes of speeding the discovery process. The research team presented its plan to the American Astronomical Society's meeting in St. Louis, MO. As molecules rotate and vibrate, they emit radio waves at specific frequencies. Each molecule has a unique pattern of such frequencies, called spectral lines, that constitutes a "fingerprint" identifying that molecule. Laboratory tests can determine the pattern of spectral lines that identifies a specific molecule. Most past discoveries came from identifying a molecule's pattern in

  14. Ultracold molecules from the bottom-up

    NASA Astrophysics Data System (ADS)

    Zhang, Jessie T.; Hutzler, Nicholas R.; Liu, Lee R.; Yu, Yichao; Ni, Kang-Kuen

    2016-05-01

    Ultracold polar molecules exhibit strong, long-range, and tunable dipole-dipole interactions that may be utilized for a wide range of studies in quantum simulation and quantum information processing. To realize the full potential of these studies, it is desirable to have a low entropy sample of ultracold polar molecules with full control over both internal and external states, as well as inter-particle interactions. We work toward this goal with a new, bottom-up approach using the highly polar NaCs molecule. The key steps of our scheme are trapping single Na and Cs atoms in optical dipole traps, cooling the atoms to their motional ground state using Raman sideband cooling, and finally coherently transferring them to ground state NaCs molecules via a two-photon process. This approach should enable creation of low entropy samples with full control over all degrees of freedom, as well as realizing the possibility of single-site read-out and manipulation of molecules.

  15. Metastable States of small-molecule solutions.

    PubMed

    He, Guangwen; Tan, Reginald B H; Kenis, Paul J A; Zukoski, Charles F

    2007-12-27

    Metastable states such as gels and glasses that are commonly seen in nanoparticle suspensions have found application in a wide range of products including toothpaste, hand cream, paints, and car tires. The equilibrium and metastable state behavior of nanoparticle suspensions are often described by simple fluid models where particles are treated as having hard cores and interacting with short-range attractions. Here we explore similar models to describe the presence of metastable states of small-molecule solutions. We have recently shown that the equilibrium solubilities of small hydrogen-bonding molecules and nanoparticles fall onto a corresponding-states solubility curve suggesting that with similar average strengths of attraction these molecules have similar solubilities. This observation implies that metastable states in small-molecule solutions may be found under conditions similar to those where metastable states are observed in nanoparticle and colloidal suspensions. Here we seek confirmation of this concept by exploring the existence of metastable states in solutions of small molecules.

  16. Simple treatment of ultracold polar molecule collisions

    NASA Astrophysics Data System (ADS)

    Bohn, John; Quèmèner, Goulven; Idziaszek, Zbigniew; Julienne, Paul

    2010-03-01

    Collisions of polar molecules at ultracold (< μK) temperatures open the way for prospects of manipulating collision dynamics, including chemical reactions, by by varying an electric field. To understand such processes, one needs a scattering theory that accounts sufficiently accurately for the long-range van der Waals and dipolar forces acting between the molecules, but that also has a reasonable parametrization of the short-range physics when the molecules actually encounter one another. In this presentation we discuss a theory that marries a quantum-defect-theory parametrization of short-range physics, to a modified Langevin-like model that has successfully estimated the effect of electric fields. We discuss the character of the resulting scattering, including field-dependent chemical reaction rates and resonances.

  17. Electron Transport Through Single Fullerene Molecules (abstract)

    NASA Astrophysics Data System (ADS)

    Stróżecka, Anna; Muthukumar, Kaliappan; Larsson, J. Andreas; Voigtländer, Bert

    2009-04-01

    Fullerenes show potential for applications in nanotechnology due to the possibility of tuning their properties by doping or functionalization. In particular, the endohedral doping of the hollow carbon cage with metal atoms allows changing the electronic and magnetic properties of the molecule without distorting the geometry of the outer shell. Here we present a low temperature scanning tunneling microscopy (STM) and spectroscopy study of the vibrational and transport properties of Ce2atC80 metallofullerenes. We observe that electron transport through the endohedral fullerene is strongly mediated by excitation of molecular vibrations, especially the dynamics of encapsulated atoms. We measure the conductance of the single-molecule junction upon contact between the molecule and the STM tip. To determine the role of doping atoms we compare the results obtained for the endohedrally doped species with those for a hollow fullerene. Analysis shows that localization of electron density on encapsulated atoms hinders the conduction process through the fullerene.

  18. Conformational dynamics of peptide T molecule

    NASA Astrophysics Data System (ADS)

    Akverdieva, Gulnare; Godjayev, Niftali; Akyuz, Sevim

    2002-05-01

    Using a method of the theoretical conformational analysis, a conformational dynamics of the side chains of the amino acid residues of peptide T, a competitor of the human immuno-deficiency virus in the binding to human T cells, was investigated. For this purpose, the conformational maps of the potential surfaces were constructed over the angles of the side chains for the preferable conformations of peptide T molecule. Permissible deviations of these angles from the optimal values were determined. It has been found that the angles of the side chains of the amino acid residues involved in physiologically active fragment Thr4-Thr8 are more rigid than in the other segment of the molecule. This fact confirms the existence of such a regular structure as β-turn revealed previously in studies of the spatial structure of the peptide T molecule.

  19. Featured Molecules: Ascorbic Acid and Methylene Blue

    NASA Astrophysics Data System (ADS)

    Coleman, William F.; Wildman, Randall J.

    2003-05-01

    The WebWare molecules of the month for May are featured in several articles in this issue. "Arsenic: Not So Evil After All?" discusses the pharmaceutical uses of methylene blue and its development as the first synthetic drug used against a specific disease. The JCE Classroom Activity "Out of the Blue" and the article "Greening the Blue Bottle" feature methylene blue and ascorbic acid as two key ingredients in the formulation of the blue bottle. You can also see a colorful example of these two molecules in action on the cover. "Sailing on the 'C': A Vitamin Titration with a Twist" describes an experiment to determine the vitamin C (ascorbic acid) content of citrus fruits and challenges students, as eighteenth-century sea captains, to decide the best fruit to take on a long voyage. Fully manipulable (Chime) versions of these and other molecules are available at Only@JCE Online.

  20. Complex molecules in the galactic center

    NASA Astrophysics Data System (ADS)

    Requena-Torres, Miguel Angel; Martin-Pintado, Jesus; Martin, Sergio; Amo-Baladron, Arancha

    2007-04-01

    Recently the number of complex organic molecules observed in hot cores has been increased by observing the Sgr B2N hot core, located in the GC molecular clouds. But in the inner 200pc of the center of our Galaxy complex organic molecules seems to widespread distributed along the Galactic plane. Last year large aldehydes where observed in the cm range with the Green Bank Telescope. These molecules where detected not in the hot core, but in the envelope of the SgrB2 molecular clouds and in two different positions in SgrA molecular cloud. We have not reach the maximum in the chemical complexity that these molecular clouds can show up. The next step would be to detect the more complex esters and ethers observed in hot cores and to obtain a better estimation of the physical conditions of the aldehydes observing more transitions in the mm range.

  1. Protein Scaffolding for Small Molecule Catalysts

    SciTech Connect

    Baker, David

    2014-09-14

    We aim to design hybrid catalysts for energy production and storage that combine the high specificity, affinity, and tunability of proteins with the potent chemical reactivities of small organometallic molecules. The widely used Rosetta and RosettaDesign methodologies will be extended to model novel protein / small molecule catalysts in which one or many small molecule active centers are supported and coordinated by protein scaffolding. The promise of such hybrid molecular systems will be demonstrated with the nickel-phosphine hydrogenase of DuBois et. al.We will enhance the hydrogenase activity of the catalyst by designing protein scaffolds that incorporate proton relays and systematically modulate the local environment of the catalyticcenter. In collaboration with DuBois and Shaw, the designs will be experimentally synthesized and characterized.

  2. Ionization of glycerin molecule by electron impact

    NASA Astrophysics Data System (ADS)

    Zavilopulo, A. N.; Shpenik, O. B.; Markush, P. P.; Kontrosh, E. E.

    2015-07-01

    The methods and results of studying the yield of positive ions produced due to direct and dissociative electron impact ionization of the glycerin molecule are described. The experiment is carried out using two independent setups, namely, a setup with a monopole mass spectrometer employing the method of crossing electron and molecular beams and a setup with a hypocycloidal electron spectrometer with the gas-filled cell. The mass spectra of the glycerin molecule are studied in the range of mass numbers of 10-95 amu at various temperatures. The energy dependences of the effective cross sections of the glycerin molecular ions produced by a monoenergetic electron beam are obtained and analyzed; using these dependences, the appearance energies of fragment ions are determined. The dynamics of the glycerin molecule fragment ions formation is investigated in the temperature range of 300-340 K.

  3. Berry connection in atom-molecule systems

    SciTech Connect

    Cui Fucheng; Wu Biao

    2011-08-15

    In the mean-field theory of atom-molecule systems, where bosonic atoms combine to form molecules, there is no usual U(1) symmetry, presenting an apparent hurdle for defining the Berry phase and Berry curvature for these systems. We define a Berry connection for this system, with which the Berry phase and Berry curvature can be naturally computed. We use a three-level atom-molecule system to illustrate our results. In particular, we have computed the mean-field Berry curvature of this system analytically, and compared it to the Berry curvature computed with the second-quantized model of the same system. An excellent agreement is found, indicating the validity of our definition.

  4. Electrostatic trapping of metastable NH molecules

    SciTech Connect

    Hoekstra, Steven; Metsaelae, Markus; Zieger, Peter C.; Scharfenberg, Ludwig; Gilijamse, Joop J.; Meijer, Gerard; Meerakker, Sebastiaan Y. T. van de

    2007-12-15

    We report on the Stark deceleration and electrostatic trapping of {sup 14}NH (a{sup 1}{delta}) radicals. In the trap, the molecules are excited on the spin-forbidden A{sup 3}{pi}<-a{sup 1}{delta} transition and detected via their subsequent fluorescence to the X{sup 3}{sigma}{sup -} ground state. The 1/e trapping time is 1.4{+-}0.1 s, from which a lower limit of 2.7 s for the radiative lifetime of the a{sup 1}{delta}, v=0, J=2 state is deduced. The spectral profile of the molecules in the trapping field is measured to probe their spatial distribution. Electrostatic trapping of metastable NH followed by optical pumping of the trapped molecules to the electronic ground state is an important step toward accumulation of these radicals in a magnetic trap.

  5. Genetically engineered antibody molecules and their application.

    PubMed

    Morrison, S L; Wims, L; Wallick, S; Tan, L; Oi, V T

    1987-01-01

    Immunoglobulin genes can be efficiently expressed following transfection into myeloma cells. Using protoplast fusion, transfection frequencies greater than 10(-3) can be achieved. Compatible plasmids containing two different selectible markers are used to simultaneously deliver heavy and light chain genes to the same cell. To produce molecules with differing specificities the rearranged and expressed variable regions can be cloned from the appropriate hybridoma. In some cases, variable regions from cDNAs can be inserted into the expression vectors. It is possible to manipulate the immunoglobulin genes and produce novel antibody molecules. Antibodies have been produced in which the variable regions from mouse antibodies have been joined to human constant regions. In addition, antibodies with altered constant regions have been produced. These genetically engineered antibodies provide a unique set of reagents to study structure-function relationships within the molecule. They also can potentially be used in the diagnosis and therapy of human disease.

  6. Profiling protein function with small molecule microarrays

    PubMed Central

    Winssinger, Nicolas; Ficarro, Scott; Schultz, Peter G.; Harris, Jennifer L.

    2002-01-01

    The regulation of protein function through posttranslational modification, local environment, and protein–protein interaction is critical to cellular function. The ability to analyze on a genome-wide scale protein functional activity rather than changes in protein abundance or structure would provide important new insights into complex biological processes. Herein, we report the application of a spatially addressable small molecule microarray to an activity-based profile of proteases in crude cell lysates. The potential of this small molecule-based profiling technology is demonstrated by the detection of caspase activation upon induction of apoptosis, characterization of the activated caspase, and inhibition of the caspase-executed apoptotic phenotype using the small molecule inhibitor identified in the microarray-based profile. PMID:12167675

  7. Stochastic models for surface diffusion of molecules

    SciTech Connect

    Shea, Patrick Kreuzer, Hans Jürgen

    2014-07-28

    We derive a stochastic model for the surface diffusion of molecules, starting from the classical equations of motion for an N-atom molecule on a surface. The equation of motion becomes a generalized Langevin equation for the center of mass of the molecule, with a non-Markovian friction kernel. In the Markov approximation, a standard Langevin equation is recovered, and the effect of the molecular vibrations on the diffusion is seen to lead to an increase in the friction for center of mass motion. This effective friction has a simple form that depends on the curvature of the lowest energy diffusion path in the 3N-dimensional coordinate space. We also find that so long as the intramolecular forces are sufficiently strong, memory effects are usually not significant and the Markov approximation can be employed, resulting in a simple one-dimensional model that can account for the effect of the dynamics of the molecular vibrations on the diffusive motion.

  8. Hydrodynamic trapping of molecules in lipid bilayers

    PubMed Central

    Jönsson, Peter; McColl, James; Clarke, Richard W.; Ostanin, Victor P.; Jönsson, Bengt; Klenerman, David

    2012-01-01

    In this work we show how hydrodynamic forces can be used to locally trap molecules in a supported lipid bilayer (SLB). The method uses the hydrodynamic drag forces arising from a flow through a conical pipette with a tip radius of 1–1.5 μm, placed approximately 1 μm above the investigated SLB. This results in a localized forcefield that acts on molecules protruding from the SLB, yielding a hydrodynamic trap with a size approximately given by the size of the pipette tip. We demonstrate this concept by trapping the protein streptavidin, bound to biotin receptors in the SLB. It is also shown how static and kinetic information about the intermolecular interactions in the lipid bilayer can be obtained by relating how the magnitude of the hydrodynamic forces affects the accumulation of protein molecules in the trap. PMID:22699491

  9. Photostability of Organic Molecules in Circumstellar Environment

    NASA Astrophysics Data System (ADS)

    Monfredini, T.; Wolf, W.; Mendoza, E.; Rocco, M. L.; Lago, A.; Boechat-Roberty, H. M.

    2014-10-01

    Aromatic Infrared Bands, the footprint of molecules like neutral and ionic Polycyclic Aromatic Hydrocarbons (PAHs), have been observed in several astrophysical environments.We present the experimental results of the photoionization and photodissociation of the methyl-benzene (or toluene) molecule, a basic unit for the methylated PAHs, using synchrotron radiation at C1s resonance, ˜ 285 eV (soft X-ray) and time-of-flight mass-spectrometry. Absolute photoionization and photodissociation cross sections have been determined. Then the ionization and destruction rates and half-life of the toluene molecule were also obtained for the X-ray photon flux of the pre-planetary nebula CRL 618.

  10. Hydrogen sulfide and polysulfides as signaling molecules

    PubMed Central

    KIMURA, Hideo

    2015-01-01

    Hydrogen sulfide (H2S) is a familiar toxic gas that smells of rotten eggs. After the identification of endogenous H2S in the mammalian brain two decades ago, studies of this molecule uncovered physiological roles in processes such as neuromodulation, vascular tone regulation, cytoprotection against oxidative stress, angiogenesis, anti-inflammation, and oxygen sensing. Enzymes that produce H2S, such as cystathionine β-synthase, cystathionine γ-lyase, and 3-mercaptopyruvate sulfurtransferase have been studied intensively and well characterized. Polysulfides, which have a higher number of inner sulfur atoms than that in H2S, were recently identified as potential signaling molecules that can activate ion channels, transcription factors, and tumor suppressors with greater potency than that of H2S. This article focuses on our contribution to the discovery of these molecules and their metabolic pathways and mechanisms of action. PMID:25864468

  11. T Cell Cosignaling Molecules in Transplantation.

    PubMed

    Ford, Mandy L

    2016-05-17

    The ultimate outcome of alloreactivity versus tolerance following transplantation is potently influenced by the constellation of cosignaling molecules expressed by immune cells during priming with alloantigen, and the net sum of costimulatory and coinhibitory signals transmitted via ligation of these molecules. Intense investigation over the last two decades has yielded a detailed understanding of the kinetics, cellular distribution, and intracellular signaling networks of cosignaling molecules such as the CD28, TNF, and TIM families of receptors in alloimmunity. More recent work has better defined the cellular and molecular mechanisms by which engagement of cosignaling networks serve to either dampen or augment alloimmunity. These findings will likely aid in the rational development of novel immunomodulatory strategies to prolong graft survival and improve outcomes following transplantation.

  12. Chiral Molecules Revisited by Broadband Microwave Spectroscopy

    NASA Astrophysics Data System (ADS)

    Schnell, Melanie

    2014-06-01

    Chiral molecules have fascinated chemists for more than 150 years. While their physical properties are to a very good approximation identical, the two enantiomers of a chiral molecule can have completely different (bio)chemical activities. For example, the right-handed enantiomer of carvone smells of spearmint while the left-handed one smells of caraway. In addition, the active components of many drugs are of one specific handedness, such as in the case of ibuprofen. However, in nature as well as in pharmaceutical applications, chiral molecules often exist in mixtures with other chiral molecules. The analysis of these complex mixtures to identify the molecular components, to determine which enantiomers are present, and to measure the enantiomeric excesses (ee) remains a challenging task for analytical chemistry, despite its importance for modern drug development. We present here a new method of differentiating enantiomers of chiral molecules in the gas phase based on broadband rotational spectroscopy. The phase of the acquired signal bares the signature of the enantiomer, as it depends upon the combined quantity, μ_a μ_b μ_c, which is of opposite sign between enantiomers. It thus also provides information on the absolute configuration of the particular enantiomer. Furthermore, the signal amplitude is proportional to the ee. A significant advantage of our technique is its inherent mixture compatibility due to the fingerprint-like character of rotational spectra. In this contribution, we will introduce the technique and present our latest results on chiral molecule spectroscopy and enantiomer differentiation. D. Patterson, M. Schnell, J.M. Doyle, Nature 497 (2013) 475-477 V.A. Shubert, D. Schmitz, D. Patterson, J.M. Doyle, M. Schnell, Angewandte Chemie International Edition 53 (2014) 1152-1155

  13. Molecule capture by olfactory antennules: mantis shrimp.

    PubMed

    Stacey, Mark T; Mead, Kristina S; Koehl, Mimi A R

    2002-01-01

    A critical step in the process of olfaction is the movement of odorant molecules from the environment to the surface of a chemosensory structure. Many marine crustaceans capture odorant molecules with arrays of chemosensory sensilla (aesthetascs) on antennules that they flick through the water. We developed a model to calculate molecule flux to the surfaces of aesthetascs in order to study how the size, aesthetasc spacing, and flick kinematics of olfactory antennules affect their performance in capturing molecules from the surrounding water. Since the three-dimensional geometry of an aesthetasc-bearing antennule is complex, dynamically-scaled physical models can often provide an efficient method of determining the fluid velocity field through the array. Here we present a method to optimize the incorporation of such measured velocity vector fields into a numerical simulation of the advection and diffusion of odorants to aesthetasc surfaces. Furthermore, unlike earlier models of odorant interception by antennae, our model incorporates odorant concentration distributions that have been measured in turbulent ambient flows. By applying our model to the example of the olfactory antennules of mantis shrimp, we learned that flicking velocity can have profound effects on odorant flux to the aesthetascs if they operate in the speed range in which the leakiness of the gaps between the aesthetascs to fluid movement is sensitive to velocity. This sensitivity creates an asymmetry in molecule fluxes between outstroke and return stroke, which results in an antennule taking discrete samples in space and time, i.e. "sniffing". As stomatopods grow and their aesthetasc Reynolds number increases, the aesthetasc arrangement on the antennule changes in a way that maintains these asymmetries in leakiness and molecule flux between the outstroke and return stroke, allowing the individual to continue to take discrete samples as it develops. PMID:11942523

  14. Molecules and Clusters in Intense Laser Fields

    NASA Astrophysics Data System (ADS)

    Posthumus, Jan

    2001-06-01

    Preface; 1. Ultra-high intensity based on Ti:Sapphire Philip F. Taday and Andrew J. Langley; 2. Diatomic molecules in intense laser fields Jan H. Posthumus and James F. McCann; 3. Small polyatomic molecules in intense laser fields C. Cornaggia; 4. Coherent control in intense laser fields Eric Charron and Brian Sheehy; 5. Experimental studies of laser-heated rare gas clusters M. Lezius and M. Schmidt; 6. Single cluster explosions and high harmonic generation John W. G. Tisch and Emma Springate; 7. Intense laser interaction with extended cluster media Roland A. Smith and Todd Ditmire.

  15. Molecules and Clusters in Intense Laser Fields

    NASA Astrophysics Data System (ADS)

    Posthumus, Jan

    2009-09-01

    Preface; 1. Ultra-high intensity based on Ti:Sapphire Philip F. Taday and Andrew J. Langley; 2. Diatomic molecules in intense laser fields Jan H. Posthumus and James F. McCann; 3. Small polyatomic molecules in intense laser fields C. Cornaggia; 4. Coherent control in intense laser fields Eric Charron and Brian Sheehy; 5. Experimental studies of laser-heated rare gas clusters M. Lezius and M. Schmidt; 6. Single cluster explosions and high harmonic generation John W. G. Tisch and Emma Springate; 7. Intense laser interaction with extended cluster media Roland A. Smith and Todd Ditmire.

  16. Adsorption of polar molecules on krypton clusters.

    PubMed

    Rosso, A; Pokapanich, W; Ohrwall, G; Svensson, S; Björneholm, O; Tchaplyguine, M

    2007-08-28

    The formation process of binary clusters has been studied using synchrotron based core level photoelectron spectroscopy. Free neutral krypton clusters have been produced by adiabatic expansion and doped with chloromethane molecules using the pickup technique. The comparison between the integrated intensities, linewidths, and level shifts of the cluster features of pure krypton and of chloromethane-krypton clusters has been used to obtain information about the cluster geometry. We have shown that most of the chloromethane molecules remain on the surface of the clusters.

  17. Metastable feshbach molecules in high rotational states.

    PubMed

    Knoop, S; Mark, M; Ferlaino, F; Danzl, J G; Kraemer, T; Nägerl, H-C; Grimm, R

    2008-02-29

    We experimentally demonstrate Cs2 Feshbach molecules well above the dissociation threshold, which are stable against spontaneous decay on the time scale of 1 s. An optically trapped sample of ultracold dimers is prepared in a high rotational state and magnetically tuned into a region with a negative binding energy. The metastable character of these molecules arises from the large centrifugal barrier in combination with negligible coupling to states with low rotational angular momentum. A sharp onset of dissociation with increasing magnetic field is mediated by a crossing with a lower rotational dimer state and facilitates dissociation on demand with a well-defined energy. PMID:18352621

  18. Newly detected molecules in dense interstellar clouds.

    PubMed

    Irvine, W M; Avery, L W; Friberg, P; Matthews, H E; Ziurys, L M

    1988-01-01

    The last year or so has seen the identification of several new interstellar molecules, including C2S, C3S, C5H, C6H, and (probably) HC2CHO in the cold, dark cloud TMC-1; and the discovery of the first interstellar phosphorous-containing molecule, PN, in the Orion "plateau" source. Further interesting results include the observations of 13C3H2 and C3HD, and the first detection of HCOOH (formic acid) in a cold cloud.

  19. Nonadiabatic transitions in electrostatically trapped ammonia molecules

    SciTech Connect

    Kirste, Moritz; Schnell, Melanie; Meijer, Gerard; Sartakov, Boris G.

    2009-05-15

    Nonadiabatic transitions are known to be major loss channels for atoms in magnetic traps but have thus far not been experimentally reported upon for trapped molecules. We have observed and quantified losses due to nonadiabatic transitions for three isotopologues of ammonia in electrostatic traps by comparing the trapping times in traps with a zero and a nonzero electric field at the center. Nonadiabatic transitions are seen to dominate the overall loss rate even for the present samples that are at relatively high temperatures of 30 mK. It is anticipated that losses due to nonadiabatic transitions in electric fields are omnipresent in ongoing experiments on cold molecules.

  20. Electrostatic propulsion using C60 molecules

    NASA Technical Reports Server (NTRS)

    Leifer, Stephanie D.; Rapp, Donald; Saunders, Winston A.

    1992-01-01

    An evaluation is made of the potential benefits of C60 molecules as a basis for ion propulsion. Because C60 is storable, its use may result in a larger usable propellant fraction than previous methods of cluster ion propulsion. C60 may also relax such engineering constraints as grid spacing, which restrict the performance of noble gas ion propulsion. The behavior of C60 in a plasma discharge environment, as well as various electron impact cross sections of the molecule, will greatly afftect the feasibility of the concept.

  1. Accurate density functional thermochemistry for larger molecules.

    SciTech Connect

    Raghavachari, K.; Stefanov, B. B.; Curtiss, L. A.; Lucent Tech.

    1997-06-20

    Density functional methods are combined with isodesmic bond separation reaction energies to yield accurate thermochemistry for larger molecules. Seven different density functionals are assessed for the evaluation of heats of formation, Delta H 0 (298 K), for a test set of 40 molecules composed of H, C, O and N. The use of bond separation energies results in a dramatic improvement in the accuracy of all the density functionals. The B3-LYP functional has the smallest mean absolute deviation from experiment (1.5 kcal mol/f).

  2. Cold Light from Hot Atoms and Molecules

    SciTech Connect

    Lister, Graeme; Curry, John J.

    2011-05-11

    The introduction of rare earth atoms and molecules into lighting discharges led to great advances in efficacy of these lamps. Atoms such as Dy, Ho and Ce provide excellent radiation sources for lighting applications, with rich visible spectra, such that a suitable combination of these elements can provide high quality white light. Rare earth molecules have also proved important in enhancing the radiation spectrum from phosphors in fluorescent lamps. This paper reviews some of the current aspects of lighting research, particularly rare earth chemistry and radiation, and the associated fundamental atomic and molecular data.

  3. Molecular spintronics using single-molecule magnets.

    PubMed

    Bogani, Lapo; Wernsdorfer, Wolfgang

    2008-03-01

    A revolution in electronics is in view, with the contemporary evolution of the two novel disciplines of spintronics and molecular electronics. A fundamental link between these two fields can be established using molecular magnetic materials and, in particular, single-molecule magnets. Here, we review the first progress in the resulting field, molecular spintronics, which will enable the manipulation of spin and charges in electronic devices containing one or more molecules. We discuss the advantages over more conventional materials, and the potential applications in information storage and processing. We also outline current challenges in the field, and propose convenient schemes to overcome them.

  4. The origin of life. [genetically important molecules

    NASA Technical Reports Server (NTRS)

    Horowitz, N. H.; Hubbard, J. S.

    1974-01-01

    Research in the areas of precambrian paleontology, chemical evolution of genetically important monomers, prebiotic dehydration-condensation reactions, organic compounds in meteorites and interstellar space, and biological exploration of the planets is summarized. Fossils in precambrian cherts and findings of eukaryotic cells are described, and recent investigations of prebiotic conditions, energy sources, and starting materials for genetic molecules are outlined. Studies of homogeneous and heterogeneous dehydrations and of nonaqueous thermal dehydrations are described. The detection of amino acids, purines, and pyrimidines in meteorites and of biologically significant molecules in interstellar clouds is discussed, as well as the possibilities of life on Jupiter, Mars, and Titan.

  5. Photoassociative production of ultracold heteronuclear ytterbium molecules

    SciTech Connect

    Borkowski, Mateusz; Ciurylo, Roman; Yamazaki, Rekishu; Takahashi, Yoshiro; Hara, Hideaki; Taie, Shintaro; Sugawa, Seiji; Takasu, Yosuke; Enomoto, Katsunari

    2011-09-15

    We report observations of photoassociation (PA) spectra near the intercombination line in isotopic mixtures of ultracold ytterbium gases. Several heteronuclear bound states have been found for the excited {sup 170}Yb{sup 174}Yb and {sup 174}Yb{sup 176}Yb molecules. We develop a single-channel mass-scaled interaction model for the excited state molecule which well reproduces the measured bound state energies. This is an important step toward optical control of interactions in mixtures of ultracold ytterbium gases using heteronuclear optical Feshbach resonances. The model developed is applicable in collisions of other similar systems, such as cadmium and mercury.

  6. A toy model for a diatomic molecule

    NASA Astrophysics Data System (ADS)

    Hecker Denschlag, Johannes

    2016-08-01

    We introduce a toy model for a diatomic molecule which is based on coupling electronic and nuclear spins to a rigid rotor. Despite its simplicity, the model can be used scientifically to analyze and understand complex molecular hyperfine spectra. In addition, the model has educational value as a number of fundamental symmetries and conservation laws of the molecule can be studied. Because of its simple structure, the model can be readily implemented as a computer program with comparatively short computing times on the order of a few seconds.

  7. Evidence of water molecules--a statistical evaluation of water molecules based on electron density.

    PubMed

    Nittinger, Eva; Schneider, Nadine; Lange, Gudrun; Rarey, Matthias

    2015-04-27

    Water molecules play important roles in many biological processes, especially when mediating protein-ligand interactions. Dehydration and the hydrophobic effect are of central importance for estimating binding affinities. Due to the specific geometric characteristics of hydrogen bond functions of water molecules, meaning two acceptor and two donor functions in a tetrahedral arrangement, they have to be modeled accurately. Despite many attempts in the past years, accurate prediction of water molecules-structurally as well as energetically-remains a grand challenge. One reason is certainly the lack of experimental data, since energetic contributions of water molecules can only be measured indirectly. However, on the structural side, the electron density clearly shows the positions of stable water molecules. This information has the potential to improve models on water structure and energy in proteins and protein interfaces. On the basis of a high-resolution subset of the Protein Data Bank, we have conducted an extensive statistical analysis of 2.3 million water molecules, discriminating those water molecules that are well resolved and those without much evidence of electron density. In order to perform this classification, we introduce a new measurement of electron density around an individual atom enabling the automatic quantification of experimental support. On the basis of this measurement, we present an analysis of water molecules with a detailed profile of geometric and structural features. This data, which is freely available, can be applied to not only modeling and validation of new water models in structural biology but also in molecular design.

  8. Surface enhanced Raman scattering activity of TiN thin film prepared via nitridation of sol-gel derived TiO2 film

    NASA Astrophysics Data System (ADS)

    Dong, Zhanliang; Wei, Hengyong; Chen, Ying; Wang, Ruisheng; Zhao, Junhong; Lin, Jian; Bu, Jinglong; Wei, Yingna; Cui, Yi; Yu, Yun

    2015-10-01

    Surface-enhanced Raman scattering (SERS) is a powerful and non-destructive analytical technique tool for chemical and biological sensing applications. Metal-free SERS substrates have recently been developed by using semiconductor nanostructures. The optical property of TiN film is similar to that of gold. Besides that, its good chemical inertness and thermodynamic stability make TiN thin film an excellent candidate for SERS. In order to investigate its SERS activity, the TiN thin film was successfully prepared via direct nitridation of the sol-gel derived TiO2 thin film on the quartz substrate using ammonia gas as reducing agent. The crystallite structures and morphology of TiN thin film were determined by XRD, RAMAN and FE-SEM. The results show that the thin film obtained is cubic titanium nitride with a lattice parameter of 4.2349 Å. The surface of TiN thin film is rough and with the particles of 50 nm in average sizes. The thickness of TiN thin film is about 130 nm. The TiN thin film displays a surface Plasmon resonance absorption peak at around 476 nm, which can lead to a strong enhancement of the EM field on the interface. The Raman signal of the probe molecule R6G was greatly enhanced through TiN thin film substrates. The enhancement factor is about 4.1×103 and the detection limit achieves 10-6 M for R6G. The TiN thin film substrate also shows a good reproducibility of SERS performance. The results indicate that TiN thin film is an attractive material with potential application in SERS substrates.

  9. Strategy to discover diverse optimal molecules in the small molecule universe.

    PubMed

    Rupakheti, Chetan; Virshup, Aaron; Yang, Weitao; Beratan, David N

    2015-03-23

    The small molecule universe (SMU) is defined as a set of over 10(60) synthetically feasible organic molecules with molecular weight less than ∼500 Da. Exhaustive enumerations and evaluation of all SMU molecules for the purpose of discovering favorable structures is impossible. We take a stochastic approach and extend the ACSESS framework ( Virshup et al. J. Am. Chem. Soc. 2013 , 135 , 7296 - 7303 ) to develop diversity oriented molecular libraries that can generate a set of compounds that is representative of the small molecule universe and that also biases the library toward favorable physical property values. We show that the approach is efficient compared to exhaustive enumeration and to existing evolutionary algorithms for generating such libraries by testing in the NKp fitness landscape model and in the fully enumerated GDB-9 chemical universe containing 3 × 10(5) molecules.

  10. Strategy To Discover Diverse Optimal Molecules in the Small Molecule Universe

    PubMed Central

    2015-01-01

    The small molecule universe (SMU) is defined as a set of over 1060 synthetically feasible organic molecules with molecular weight less than ∼500 Da. Exhaustive enumerations and evaluation of all SMU molecules for the purpose of discovering favorable structures is impossible. We take a stochastic approach and extend the ACSESS framework (Virshup et al. J. Am. Chem. Soc.2013, 135, 7296–730323548177) to develop diversity oriented molecular libraries that can generate a set of compounds that is representative of the small molecule universe and that also biases the library toward favorable physical property values. We show that the approach is efficient compared to exhaustive enumeration and to existing evolutionary algorithms for generating such libraries by testing in the NKp fitness landscape model and in the fully enumerated GDB-9 chemical universe containing 3 × 105 molecules. PMID:25594586

  11. Polarization of excitation light influences molecule counting in single-molecule localization microscopy.

    PubMed

    Chen, Ye; Lin, Han; Ludford-Menting, Mandy J; Clayton, Andrew H; Gu, Min; Russell, Sarah M

    2015-01-01

    Single-molecule localization microscopy has been widely applied to count the number of biological molecules within a certain structure. The percentage of molecules that are detected significantly affects the interpretation of data. Among many factors that affect this percentage, the polarization state of the excitation light is often neglected or at least unstated in publications. We demonstrate by simulation and experiment that the number of molecules detected can be different from -40 up to 100% when using circularly or linearly polarized excitation light. This is determined mainly by the number of photons emitted by single fluorescent molecule, namely the choice of fluorescence proteins, and the background noise in the system, namely the illumination scheme. This difference can be further exaggerated or mitigated by various fixation methods, magnification, and camera settings We conclude that the final choice between circularly or linearly polarized excitation light should be made experimentally, based on the signal to noise ratio of the system.

  12. Making More-Complex Molecules Using Superthermal Atom/Molecule Collisions

    NASA Technical Reports Server (NTRS)

    Shortt, Brian; Chutjian, Ara; Orient, Otto

    2008-01-01

    A method of making more-complex molecules from simpler ones has emerged as a by-product of an experimental study in outer-space atom/surface collision physics. The subject of the study was the formation of CO2 molecules as a result of impingement of O atoms at controlled kinetic energies upon cold surfaces onto which CO molecules had been adsorbed. In this study, the O/CO system served as a laboratory model, not only for the formation of CO2 but also for the formation of other compounds through impingement of rapidly moving atoms upon molecules adsorbed on such cold interstellar surfaces as those of dust grains or comets. By contributing to the formation of increasingly complex molecules, including organic ones, this study and related other studies may eventually contribute to understanding of the origins of life.

  13. Thermoregulated formation and disintegration of cationic block copolymer vesicles: fluorescence resonance energy transfer study.

    PubMed

    Maiti, Chiranjit; Dey, Debabrata; Mandal, Sarthak; Dhara, Dibakar

    2014-02-27

    Formation and disintegration of self-assembled nanostructures in response to external stimuli are important phenomena that have been widely explored for a variety of biomedical applications. In this contribution, we report the thermally triggered assembly of block copolymer molecules in aqueous solution to form vesicles (polymersomes) and their disassembly on reduction of temperature. A new thermoresponsive diblock copolymer of poly(N-isopropylacrylamide) poly((3-methacrylamidopropyl)trimethylammonium chloride) (PNIPA-b-PMAPTAC) was synthesized by reversible addition-fragmentation chain transfer technique. The solution properties and self-assembling behavior of the block copolymer molecules were studied by turbidimetry, temperature-dependent proton nuclear magnetic resonance, fluorescence spectroscopy, dynamic light scattering, and transmission electron microscopy. Fluorescence resonance energy transfer studies between coumarin-153 (C-153, donor) and rhodamine 6G (R6G, acceptor) have been performed by steady-state and picosecond-resolved fluorescence spectroscopy to probe the structural and dynamic heterogeneity of the vesicles. The occurrence of efficient energy transfer was evident from the shortening of donor lifetime in the presence of the acceptor. The capability of the vesicles to encapsulate both hydrophobic and hydrophilic molecules and release them in response to decrease in temperature makes them potentially useful as drug delivery vehicles. PMID:24490812

  14. A Global Health Diagnostic for Personalized Medicine in Resource-Constrained World Settings: A Simple PCR-RFLP Method for Genotyping CYP2B6 g.15582C>T and Science and Policy Relevance for Optimal Use of Antiretroviral Drug Efavirenz.

    PubMed

    Evans, Jonathan; Swart, Marelize; Soko, Nyarai; Wonkam, Ambroise; Huzair, Farah; Dandara, Collet

    2015-06-01

    The use of pharmacogenomics (PGx) knowledge in treatment of individual patients is becoming a common phenomenon in the developed world. However, poorly resourced countries have thus far been constrained for three main reasons. First, the cost of whole genome sequencing is still considerably high in comparison to other (non-genomics) diagnostics in the developing world where both science and social dynamics create a dynamic and fragile healthcare ecosystem. Second, studies correlating genomic differences with drug pharmacokinetics and pharmacodynamics have not been consistent, and more importantly, often not indexed to impact on societal end-points, beyond clinical practice. Third, ethics regulatory frames over PGx testing require improvements based on nested accountability systems and in ways that address the user community needs. Thus, CYP2B6 is a crucial enzyme in the metabolism of antiretroviral drugs, efavirenz and nevirapine. More than 40 genetic variants have been reported, but only a few contribute to differences in plasma EFV and NVP concentrations. The most widely reported CYP2B6 variants affecting plasma drug levels include c.516G>T, c.983T>C, and to a lesser extent, g.15582C>T, which should be considered in future PGx tests. While the first two variants are easily characterized, the g.15582C>T detection has been performed primarily by sequencing, which is costly, labor intensive, and requires access to barely available expertise in the developing world. We report here on a simple, practical PCR-RFLP method with vast potentials for use in resource-constrained world regions to detect the g.15582C>T variation among South African and Cameroonian persons. The effects of CYP2B6 g.15582C>T on plasma EFV concentration were further evaluated among HIV/AIDS patients. We report no differences in the frequency of the g.15582T variant between the South African (0.08) and Cameroonian (0.06) groups, which are significantly lower than reported in Asians (0.39) and

  15. Complex organic molecules and star formation

    NASA Astrophysics Data System (ADS)

    Bacmann, A.; Faure, A.

    2014-12-01

    Star forming regions are characterised by the presence of a wealth of chemical species. For the past two to three decades, ever more complex organic species have been detected in the hot cores of protostars. The evolution of these molecules in the course of the star forming process is still uncertain, but it is likely that they are partially incorporated into protoplanetary disks and then into planetesimals and the small bodies of planetary systems. The complex organic molecules seen in star forming regions are particularly interesting since they probably make up building blocks for prebiotic chemistry. Recently we showed that these species were also present in the cold gas in prestellar cores, which represent the very first stages of star formation. These detections question the models which were until now accepted to account for the presence of complex organic molecules in star forming regions. In this article, we shortly review our current understanding of complex organic molecule formation in the early stages of star formation, in hot and cold cores alike and present new results on the formation of their likely precursor radicals.

  16. Molecules of significance in planetary aeronomy

    NASA Technical Reports Server (NTRS)

    Mohan, H.

    1979-01-01

    This monograph is basically devoted to spectroscopic information of the molecules of planetary interest. Only those molecules have been dealt with which have been confirmed spectroscopically to be present in the atmosphere of major planets of our solar system and play an important role in the aeronomy of the respective planets. An introduction giving the general conditions of planets and their atmospheres including the gaseous molecules is given. Some typical planetary spectra is presented and supported with a discussion on some basic concepts of optical absorption and molecular parameters that are important to the study of planetary atmospheres. Quantities like dipole moments, transition probabilities, Einstein coefficients and line strengths, radiative life times, absorption cross sections, oscillator strengths, line widths and profiles, equivalent widths, growth curves, bond strengths, electronic transition moments, Franck-Condon factors and r-centroids, etc., are discussed. Spectroscopic information and relevant data of 6 diatomic (HF, HCL, CO, H2, O2, N2) and 6 polyatomic (CO2, N2), O3, HeO, NH3, CH4) molecules are presented.

  17. Langmuir Films of Chiral Molecules on Mercury

    SciTech Connect

    Tamam, L.; Menahem, T; Mastai, Y; Sloutskin, E; Yefet, S; Deustch, M

    2009-01-01

    Homo- and heterochiral Langmuir films of a chiral derivative of stearic acid are studied in situ on the surface of liquid mercury as a function of surface coverage by surface tensiometry and surface-specific synchrotron X-ray diffraction and reflectivity. A transition from a phase of surface-parallel molecules to a phase of standing-up molecules is found. The former shows no surface-parallel long-range order. The standing-up phase of both homochiral and heterochiral compositions exhibit long-range order. However, the former has an oblique unit cell with parallel molecular planes, and the later has a centered rectangular unit cell with a herringbone molecular packing. For both cases, the standing-up molecules are tilted by 44 from the surface normal and pack at a density of 19.5 Angstroms2/molecule in the plane normal to the molecular long axis. Important differences are found, and discussed, between this behavior and that of a Langmuir film of the nonchiral stearic acid on mercury.

  18. Manipulation of fullerene molecules on graphene

    NASA Astrophysics Data System (ADS)

    Glukhova, O. E.; Mitrofanov, V. V.; Slepchenkov, M. M.; Shunaev, V. V.

    2015-03-01

    Due to the increasing demand for functionalization of graphene and its application as a functional element of real electronic and / or mechanical devices, as well as due to its unique adhesive and sensory abilities the actual problem is the use of graphene as a substrate on which the assembly of supramolecular structures. Elements of such structures can be different molecules driven by external factors, and can be easily transported on graphene. These molecules primarily include miniature spheroidal fullerenes easy to navigate on the surface of graphene, in particular icosahedral C60. The aim of this work was to find an effective method of manipulation of fullerene C60 on graphene. As such method we proposed to introduce in graphene sheet structural defect of the atomic framework namely defect Stone-Wales (pentagon-heptagon pairs). Another structural defect studied in this paper is adsorbed on the Stone-Wales defect hydrogen atom. Molecular dynamics and tight binding method were applied to calculate the location of the molecule C60 on graphene sheet and its movement. To identify the regulatities of behavior of fullerene on graphene sheet we carried out a series of numerical experiments at different temperatures. In this paper we calculated the energy profile of interaction between fullerene and graphene sheet. Obtained results showed that forming on the surface of the graphene sheet defects in a certain way, one can control the trajectory of molecules on graphene.

  19. Proteins Are the Body's Worker Molecules

    MedlinePlus

    ... Each "bead" is a small molecule called an amino acid. There are 20 standard amino acids, each with its own shape, size, and properties. Proteins typically contain from 50 to 2,000 amino acids hooked end-to-end in many combinations. Each ...

  20. Collisions of trapped molecules with slow beams

    SciTech Connect

    Tscherbul, T. V.; Dalgarno, A.; Pavlovic, Z.; Sadeghpour, H. R.; Cote, R.

    2010-08-15

    We present a theoretical study of molecular-trap loss induced by collisions with slow atomic beams based on an explicit analysis of collision kinematics in the laboratory frame and a rigorous quantum description of atom-molecule scattering in external fields. The theory is applied to elucidate the effects of nonuniform magnetic and optical trapping fields on low-temperature collisions of OH (J=3/2,M{sub J}=3/2,f) molecules with {sup 4}He atoms. Our calculations quantify the extent to which both elastic and inelastic cross sections are suppressed by external trapping fields, clarify the role of small-angle scattering in trap loss, and may benefit future experiments on collisional cooling of molecules in electromagnetic traps. The calculated cross sections for trap loss in {sup 4}He + OH collisions are consistent with recent experimental observations at low beam energies [B. C. Sawyer et al., Phys. Rev. Lett. 101, 203203 (2008)], demonstrating the importance of including the effects of nonuniform trapping fields in theoretical simulations of cold collision experiments with trapped molecules and slow atomic beams.