Heme and non-heme iron transporters in non-polarized and polarized cells

Directory of Open Access Journals (Sweden)

Yasui Yumiko

2010-06-01

Full Text Available Abstract Background Heme and non-heme iron from diet, and recycled iron from hemoglobin are important products of the synthesis of iron-containing molecules. In excess, iron is potentially toxic because it can produce reactive oxygen species through the Fenton reaction. Humans can absorb, transport, store, and recycle iron without an excretory system to remove excess iron. Two candidate heme transporters and two iron transporters have been reported thus far. Heme incorporated into cells is degraded by heme oxygenases (HOs, and the iron product is reutilized by the body. To specify the processes of heme uptake and degradation, and the reutilization of iron, we determined the subcellular localizations of these transporters and HOs. Results In this study, we analyzed the subcellular localizations of 2 isoenzymes of HOs, 4 isoforms of divalent metal transporter 1 (DMT1, and 2 candidate heme transporters--heme carrier protein 1 (HCP1 and heme responsive gene-1 (HRG-1--in non-polarized and polarized cells. In non-polarized cells, HCP1, HRG-1, and DMT1A-I are located in the plasma membrane. In polarized cells, they show distinct localizations: HCP1 and DMT1A-I are located in the apical membrane, whereas HRG-1 is located in the basolateral membrane and lysosome. 16Leu at DMT1A-I N-terminal cytosolic domain was found to be crucial for plasma membrane localization. HOs are located in smooth endoplasmic reticulum and colocalize with NADPH-cytochrome P450 reductase. Conclusions HCP1 and DMT1A-I are localized to the apical membrane, and HRG-1 to the basolateral membrane and lysosome. These findings suggest that HCP1 and DMT1A-I have functions in the uptake of dietary heme and non-heme iron. HRG-1 can transport endocytosed heme from the lysosome into the cytosol. These localization studies support a model in which cytosolic heme can be degraded by HOs, and the resulting iron is exported into tissue fluids via the iron transporter ferroportin 1, which is

Alternating gradient focusing and deceleration of polar molecules

NARCIS (Netherlands)

Bethlem, H.L.; Tarbutt, M.R.; Kupper, J.; Carty, D.; Wohlfart, K.; Hinds, E.A.; Meijer, G.

2006-01-01

Beams of polar molecules can be focused using an array of electrostatic lenses in alternating gradient (AG) configuration. They can also be accelerated or decelerated by applying an appropriate high-voltage switching sequence to the lenses. AG focusing is applicable to molecules in both low-field-

Polarization properties of below-threshold harmonics from aligned molecules H2+ in linearly polarized laser fields.

Science.gov (United States)

Dong, Fulong; Tian, Yiqun; Yu, Shujuan; Wang, Shang; Yang, Shiping; Chen, Yanjun

2015-07-13

We investigate the polarization properties of below-threshold harmonics from aligned molecules in linearly polarized laser fields numerically and analytically. We focus on lower-order harmonics (LOHs). Our simulations show that the ellipticity of below-threshold LOHs depends strongly on the orientation angle and differs significantly for different harmonic orders. Our analysis reveals that this LOH ellipticity is closely associated with resonance effects and the axis symmetry of the molecule. These results shed light on the complex generation mechanism of below-threshold harmonics from aligned molecules.

Design and fabrication of a piezoelectric mode 2 sensor based on optical modulated liquid crystal and spiropyran

International Nuclear Information System (INIS)

Chen, Kuan-Ting; Lee, Chih-Kung; Chang, Chin-Kai; Kuo, Hui-Lung

2011-01-01

In this paper, we propose an innovative photoelectric material made of a mixture of liquid crystal and spiropyran which can be used to tailor the performance of piezoelectric sensors. The impedance variation of this photoelectric material can be controlled using different ultraviolet (UV) irradiation times. We found that the impedance of the liquid crystal–spiropyran mixture remains stable after the UV irradiation. Results showed that UV irradiation at 180 s resulted in the lowest mixture impedance. It appears that the electrical properties of the mixture have great potential to modulate a piezoelectric system since UV irradiation can be used to tailor the impedance of a photosensitive electrode made of a liquid crystal–spiropyran sensor for PZT (i.e. lead zirconate titanate) modal actuator/sensor applications. The main innovation of this paper is the demonstration of a new approach towards producing a positive and negative bias voltage in different regions of a sensor by using UV illumination for different time periods. A one-dimensional mode 2 sensor for a cantilever beam was designed and tested to verify the validity of this innovative approach. Since UV illumination can be changed in situ or in real time, this research also represents the creation of an optically defined/tailored modal sensor. In the future, a two-dimensional optical modal control could also be obtained using the method demonstrated

An electrostatic elliptical mirror for neutral polar molecules.

Science.gov (United States)

González Flórez, A Isabel; Meek, Samuel A; Haak, Henrik; Conrad, Horst; Santambrogio, Gabriele; Meijer, Gerard

2011-11-14

Focusing optics for neutral molecules finds application in shaping and steering molecular beams. Here we present an electrostatic elliptical mirror for polar molecules consisting of an array of microstructured gold electrodes deposited on a glass substrate. Alternating positive and negative voltages applied to the electrodes create a repulsive potential for molecules in low-field-seeking states. The equipotential lines are parallel to the substrate surface, which is bent in an elliptical shape. The mirror is characterized by focusing a beam of metastable CO molecules and the results are compared to the outcome of trajectory simulations.

Evidence for Nuclear Tensor Polarization of Deuterium Molecules in Storage Cells

International Nuclear Information System (INIS)

van den Brand, J.; Bulten, H.; Zhou, Z.; Unal, O.; van den Brand, J.; Ferro-Luzzi, M.; Botto, T.; Bouwhuis, M.; Heimberg, P.; de Jager, C.; de Lange, D.; Nooren, G.; Papadakis, N.; Passchier, I.; Poolman, H.; Steijger, J.; Vodinas, N.; de Vries, H.; van den Brand, J.; Ferro-Luzzi, M.; Lang, J.; Alarcon, R.; Dolfini, S.; Ent, R.; Higinbotham, D.

1997-01-01

Deuterium molecules were obtained by recombination, on a copper surface, of deuterium atoms prepared in specific hyperfine states. The molecules were stored for about 5ms in an open-ended cylindrical cell, placed in a 23mT magnetic field, and their tensor polarization was measured by elastic scattering of 704MeV electrons. The results of the measurements are consistent with the deuterium molecules retaining the tensor polarization of the initial atoms. copyright 1997 The American Physical Society

FRET structure with non-radiative acceptor provided by dye-linker-glass surface complex and single-molecule photodynamics by TIRFM-polarized imaging

International Nuclear Information System (INIS)

Tani, Toshiro; Mashimo, Kei; Suzuki, Tetsu; Horiuchi, Hiromi; Oda, Masaru

2008-01-01

We present our recent study of microscopic single-molecule imaging on the artificial complex of tetramethylrhodamine linked with a propyl chain onto silica glass surface, i.e. an asymmetric fluorescence resonance energy transfer (FRET) structure with non-radiative acceptor. In the synthesis of the complex, we used a mixture of two kinds of isomers to introduce rather small photodynamic difference among them. This isomeric structure change will provide more or less a distinctive photophysical change in e.g. non-radiative relaxation rate. Our recent observation at room temperatures, so far, shows that such contributions can be discriminated in the histograms of the fluorescent spot intensities; broad but distinctive multi-components appear. To identify the isomeric difference as a cause of structures, some configurational assumptions are necessary. One such basic prerequisite is that the transition dipoles of the chromophores should be oriented almost parallel to the glass surface. In order to make clear the modeling, we also provide preliminary experiments on the polarization dependence of the imaging under rotating polarization in epi-illumination

Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses

DEFF Research Database (Denmark)

Dimitrovski, Darko; Abu-Samha, Mahmoud; Madsen, Lars Bojer

2011-01-01

We present combined experimental and theoretical results on strong-field ionization of oriented carbonyl sulfide molecules by circularly polarized laser pulses. The obtained molecular frame photoelectron angular distributions show pronounced asymmetries perpendicular to the direction of the molec......We present combined experimental and theoretical results on strong-field ionization of oriented carbonyl sulfide molecules by circularly polarized laser pulses. The obtained molecular frame photoelectron angular distributions show pronounced asymmetries perpendicular to the direction......-dimensionally-oriented polar molecules, in particular asymmetries in the emission direction of the photoelectrons. In the following article [Phys. Rev. A 83, 023406 (2011)] the focus is to understand strong-field ionization from three-dimensionally-oriented asymmetric top molecules, in particular the suppression of electron...

Entanglement of polar symmetric top molecules as candidate qubits.

Science.gov (United States)

Wei, Qi; Kais, Sabre; Friedrich, Bretislav; Herschbach, Dudley

2011-10-21

Proposals for quantum computing using rotational states of polar molecules as qubits have previously considered only diatomic molecules. For these the Stark effect is second-order, so a sizable external electric field is required to produce the requisite dipole moments in the laboratory frame. Here we consider use of polar symmetric top molecules. These offer advantages resulting from a first-order Stark effect, which renders the effective dipole moments nearly independent of the field strength. That permits use of much lower external field strengths for addressing sites. Moreover, for a particular choice of qubits, the electric dipole interactions become isomorphous with NMR systems for which many techniques enhancing logic gate operations have been developed. Also inviting is the wider chemical scope, since many symmetric top organic molecules provide options for auxiliary storage qubits in spin and hyperfine structure or in internal rotation states. © 2011 American Institute of Physics

Electron interactions with polar molecules

International Nuclear Information System (INIS)

Garrett, W.R.

1981-01-01

A description is given of a number of the features of discrete and continuous spectra of electrons interacting with polar molecules. Attention is focused on the extent to which theoretical predictions concerning cross sections, resonances, and bound states are strongly influenced by the various approximations that are so ubiquitous in the treatment of such problems. Similarly, threshold scattering and photodetachment processes are examined for the case of weakly bound dipole states whose higher members overlap the continuum

studies dielectric behaviour of some long chain alcohols and their mixtures with a non-polar solvent at various concentration

International Nuclear Information System (INIS)

Yaqub, M.; Ahmed, S.S.; Hussain, A.

2006-01-01

Dielectric constant, refractive index and the Kirkwood linear correlation factor of 1-propanol, 1-butanol and 1-pentanol in mixtures with carbon tetrachloride at various concentration have been measured at fixed frequency (100 KHz) at 303.15 K. For the study of dielectric properties of polar molecules in a non-polar solvent at different concentrations, polarization per unit volume and excess free-energy of mixing were evaluated at this temperature. In order to study the association of polar molecules in such a non-polar solvent, the Kirkwood correlation factor (g) between molecular pairs, which exists due to the hydrogen bond association suggesting the presence of some dimension in the liquid phase with a number of dimmers, was determined. The refractive index and dielectric constant measurements are expected to shed some light on the configuration of molecules in various mixtures, and give some idea about the specific interactions between components, which decrese with the increase in the concentration of alcohol. All the three mixtures showed different behaviour for the value of correlation factor (g) as a function of concentration. The response of 1-pentanol was broadly identical to that of small chain alcohols. The different behaviour of the correlation factor (g) was interpreted in terms of the Kirkwood-Frohlich theory, as it takes into account, explicitly, such type of short and long range interactions of a mixture of polar molecules with non-polar solvents. (author)

EDITORIAL: Non-polar and semipolar nitride semiconductors Non-polar and semipolar nitride semiconductors

Science.gov (United States)

Han, Jung; Kneissl, Michael

2012-02-01

Throughout the history of group-III-nitride materials and devices, scientific breakthroughs and technological advances have gone hand-in-hand. In the late 1980s and early 1990s, the discovery of the nucleation of smooth (0001) GaN films on c-plane sapphire and the activation of p-dopants in GaN led very quickly to the realization of high-brightness blue and green LEDs, followed by the first demonstration of GaN-based violet laser diodes in the mid 1990s. Today, blue InGaN LEDs boast record external quantum efficiencies exceeding 80% and the emission wavelength of the InGaN-based laser diode has been pushed into the green spectral range. Although these tremenduous advances have already spurred multi-billion dollar industries, there are still a number of scientific questions and technological issues that are unanswered. One key challenge is related to the polar nature of the III-nitride wurtzite crystal. Until a decade ago all research activities had almost exclusively concentrated on (0001)-oriented polar GaN layers and heterostructures. Although the device characteristics seem excellent, the strong polarization fields at GaN heterointerfaces can lead to a significant deterioration of the device performance. Triggered by the first demonstration non-polar GaN quantum wells grown on LiAlO2 by Waltereit and colleagues in 2000, impressive advances in the area of non-polar and semipolar nitride semiconductors and devices have been achieved. Today, a large variety of heterostructures free of polarization fields and exhibiting exceptional electronic and optical properties have been demonstrated, and the fundamental understanding of polar, semipolar and non-polar nitrides has made significant leaps forward. The contributions in this Semiconductor Science and Technology special issue on non-polar and semipolar nitride semiconductors provide an impressive and up-to-date cross-section of all areas of research and device physics in this field. The articles cover a wide range of

Spin-orbit-coupled Bose-Einstein condensates of rotating polar molecules

Science.gov (United States)

Deng, Y.; You, L.; Yi, S.

2018-05-01

An experimental proposal for realizing spin-orbit (SO) coupling of pseudospin 1 in the ground manifold 1Σ (υ =0 ) of (bosonic) bialkali polar molecules is presented. The three spin components are composed of the ground rotational state and two substates from the first excited rotational level. Using hyperfine resolved Raman processes through two select excited states resonantly coupled by a microwave, an effective coupling between the spin tensor and linear momentum is realized. The properties of Bose-Einstein condensates for such SO-coupled molecules exhibiting dipolar interactions are further explored. In addition to the SO-coupling-induced stripe structures, the singly and doubly quantized vortex phases are found to appear, implicating exciting opportunities for exploring novel quantum physics using SO-coupled rotating polar molecules with dipolar interactions.

Spin-polarized transport through single-molecule magnet Mn6 complexes

KAUST Repository

Cremades, Eduard; Pemmaraju, C. D.; Sanvito, Stefano; Ruiz, Eliseo

2013-01-01

The coherent transport properties of a device, constructed by sandwiching a Mn6 single-molecule magnet between two gold surfaces, are studied theoretically by using the non-equilibrium Green's function approach combined with density functional theory. Two spin states of such Mn6 complexes are explored, namely the ferromagnetically coupled configuration of the six MnIII cations, leading to the S = 12 ground state, and the low S = 4 spin state. For voltages up to 1 volt the S = 12 ground state shows a current one order of magnitude larger than that of the S = 4 state. Furthermore this is almost completely spin-polarized, since the Mn6 frontier molecular orbitals for S = 12 belong to the same spin manifold. As such the high-anisotropy Mn6 molecule appears as a promising candidate for implementing, at the single molecular level, both spin-switches and low-temperature spin-valves. © 2013 The Royal Society of Chemistry.

Spin-polarized transport through single-molecule magnet Mn6 complexes

KAUST Repository

Cremades, Eduard

2013-01-01

The coherent transport properties of a device, constructed by sandwiching a Mn6 single-molecule magnet between two gold surfaces, are studied theoretically by using the non-equilibrium Green\\'s function approach combined with density functional theory. Two spin states of such Mn6 complexes are explored, namely the ferromagnetically coupled configuration of the six MnIII cations, leading to the S = 12 ground state, and the low S = 4 spin state. For voltages up to 1 volt the S = 12 ground state shows a current one order of magnitude larger than that of the S = 4 state. Furthermore this is almost completely spin-polarized, since the Mn6 frontier molecular orbitals for S = 12 belong to the same spin manifold. As such the high-anisotropy Mn6 molecule appears as a promising candidate for implementing, at the single molecular level, both spin-switches and low-temperature spin-valves. © 2013 The Royal Society of Chemistry.

Spectroscopy analysis of spiropyran-merocyanine molecular transformation

International Nuclear Information System (INIS)

Delgado Macuil, R; Rojas Lopez, M; Orduna Diaz, A; Camacho Pernas, V

2009-01-01

Spiropyrans materials are very studied for their application in transduction systems for biosensors. In this work the protocol of generation of multi and mono layers films and the efficiency of the transduction system are analyzed. The analyses were based on UV/Vis and Infrared vibracional spectroscopy in Attenuated Total Reflexion mode (ATR). The films were deposited in glass substrates, using (3-Aminopropyl) trimethoxysilano like linker. The UV/Vis spectra show that the deposition protocol allows the generation of a homogenous film from the first layer. Similar results were observed in ATR. The efficiency of the films, when analyzing them after light UV irradiation, is greater in the samples with two and three layers of deposit, since its absorption peaks are most intense in UV as in ATR. The efficiency falls from the fourth deposit layer. In ATR the efficiency is assumed by the vibration of the NO bond at 1338 cm -1 .

Spectroscopy analysis of spiropyran-merocyanine molecular transformation

Energy Technology Data Exchange (ETDEWEB)

Delgado Macuil, R; Rojas Lopez, M; Orduna Diaz, A [Centro de Investigacion en BiotecnologIa Aplicada Del IPN, Tepetitla Tlaxcala Mexico C.P. 90700 (Mexico); Camacho Pernas, V, E-mail: rdmacuil@yahoo.com.m [Universidad Politecnica de Puebla, Puebla Mexico (Mexico)

2009-05-01

Spiropyrans materials are very studied for their application in transduction systems for biosensors. In this work the protocol of generation of multi and mono layers films and the efficiency of the transduction system are analyzed. The analyses were based on UV/Vis and Infrared vibracional spectroscopy in Attenuated Total Reflexion mode (ATR). The films were deposited in glass substrates, using (3-Aminopropyl) trimethoxysilano like linker. The UV/Vis spectra show that the deposition protocol allows the generation of a homogenous film from the first layer. Similar results were observed in ATR. The efficiency of the films, when analyzing them after light UV irradiation, is greater in the samples with two and three layers of deposit, since its absorption peaks are most intense in UV as in ATR. The efficiency falls from the fourth deposit layer. In ATR the efficiency is assumed by the vibration of the NO bond at 1338 cm{sup -1}.

Chip-based microtrap arrays for cold polar molecules

Science.gov (United States)

Hou, Shunyong; Wei, Bin; Deng, Lianzhong; Yin, Jianping

2017-12-01

Compared to the atomic chip, which has been a powerful platform to perform an astonishing range of applications from rapid Bose-Einstein condensate (BEC) production to the atomic clock, the molecular chip is only in its infant stages. Recently a one-dimensional electric lattice was demonstrated to trap polar molecules on a chip. This excellent work opens up the way to building a molecular chip laboratory. Here we propose a two-dimensional (2D) electric lattice on a chip with concise and robust structure, which is formed by arrays of squared gold wires. Arrays of microtraps that originate in the microsize electrodes offer a steep gradient and thus allow for confining both light and heavy polar molecules. Theoretical analysis and numerical calculations are performed using two types of sample molecules, N D3 and SrF, to justify the possibility of our proposal. The height of the minima of the potential wells is about 10 μm above the surface of the chip and can be easily adjusted in a wide range by changing the voltages applied on the electrodes. These microtraps offer intriguing perspectives for investigating cold molecules in periodic potentials, such as quantum computing science, low-dimensional physics, and some other possible applications amenable to magnetic or optical lattice. The 2D adjustable electric lattice is expected to act as a building block for a future gas-phase molecular chip laboratory.

[Progress in sample preparation and analytical methods for trace polar small molecules in complex samples].

Science.gov (United States)

Zhang, Qianchun; Luo, Xialin; Li, Gongke; Xiao, Xiaohua

2015-09-01

Small polar molecules such as nucleosides, amines, amino acids are important analytes in biological, food, environmental, and other fields. It is necessary to develop efficient sample preparation and sensitive analytical methods for rapid analysis of these polar small molecules in complex matrices. Some typical materials in sample preparation, including silica, polymer, carbon, boric acid and so on, are introduced in this paper. Meanwhile, the applications and developments of analytical methods of polar small molecules, such as reversed-phase liquid chromatography, hydrophilic interaction chromatography, etc., are also reviewed.

Unconventional superfluids of fermionic polar molecules in a bilayer system

Energy Technology Data Exchange (ETDEWEB)

Boudjemâa, Abdelâali, E-mail: a.boudjemaa@univhb-chlef.dz

2017-05-25

We study unconventional superfluids of fermionic polar molecules in a two-dimensional bilayer system with dipoles are head-to-tail across the layers. We analyze the critical temperature of several unconventional pairings as a function of different system parameters. The peculiar competition between the d- and the s-wave pairings is discussed. We show that the experimental observation of such unconventional superfluids requires ultralow temperatures, which opens up new possibilities to realize several topological phases. - Highlights: • Investigation of novel superfluids of fermionic polar molecules in a bilayer geometry. • Solving the gap equation and the l-wave interlayer scattering problem. • Calculation of the critical temperature of several competing pairings using the BCS approach.

Polarization dependent effects in photo-fragmentation dynamics of free molecules

International Nuclear Information System (INIS)

Mocellin, A.; Marinho, R.R.T.; Coutinho, L.H.; Burmeister, F.; Wiesner, K.; Naves de Brito, A.

2003-01-01

We present multicoincidence spectra of nitrogen, formic acid and methyl methacrylate. We demonstrate how to probe the local symmetry of molecular orbitals from molecules core excited with linearly polarized synchrotron radiation. The intensity distribution of the photoelectron photo-ion photo-ion coincidence (PEPIPICO) spectrum reflects the selectivity and localization of core excitation by polarized light. By simulating the spectra the angular dependence of the fragmentation is determined

Polarization dependent effects in photo-fragmentation dynamics of free molecules

Energy Technology Data Exchange (ETDEWEB)

Mocellin, A.; Marinho, R.R.T.; Coutinho, L.H.; Burmeister, F.; Wiesner, K.; Naves de Brito, A

2003-04-01

We present multicoincidence spectra of nitrogen, formic acid and methyl methacrylate. We demonstrate how to probe the local symmetry of molecular orbitals from molecules core excited with linearly polarized synchrotron radiation. The intensity distribution of the photoelectron photo-ion photo-ion coincidence (PEPIPICO) spectrum reflects the selectivity and localization of core excitation by polarized light. By simulating the spectra the angular dependence of the fragmentation is determined.

Spiropyran-Isoquinoline Dyad as a Dual Chemosensor for Co(II and In(III Detection

Directory of Open Access Journals (Sweden)

Yong-Min Kho

2017-09-01

Full Text Available Spiropyran derivatives have been studied as light-regulated chemosensors for a variety of metal cations and anions, but there is little research on chemosensors that simultaneously detect multiple metal cations. In this study, a spiropyran derivative with isoquinoline, SP-IQ, was prepared and it functions investigated as a light-regulated sensor for both Co2+ and In3+ cations. A colorless nonfluorescent SP-IQ converts to a pink-colored fluorescent MC-IQ by UV irradiation or standing in the dark, and MC-IQ returns to SP-IQ with visible light. Upon UV irradiation with the Co2+ cation for 7 min, the stronger absorption at 540 nm and the similar fluorescence intensity at 640 nm are observed, compared to when no metal cation is added, due to the formation of a Co2+ complex with pink color and pink fluorescence. When placed in the dark with the In3+ cation for 7 h, the colorless solution of SP-IQ changes to the In3+ complex with yellow color and pink fluorescence, which shows strong absorption at 410 nm and strong fluorescence at 640 nm. Selective detection of the Co2+ cation with UV irradiation and the In3+ cation in the dark could be possible with SP-IQ by both absorption and fluorescence spectroscopy or by the naked eye.

Enhancement of molecular NMR signal induced by polarization transfer from laser-polarized 129Xe

International Nuclear Information System (INIS)

Sun Xianping

2001-01-01

There is a large non-equilibrium nuclear polarization and a longer relaxation time in the laser-polarized 129 Xe produced by means of optical pumping and spin exchange. The characteristics of the laser-polarized 129 Xe permit the transfer of the polarization to enhance the atomic nuclear spin in liquid, solid and surface of solid molecules. Therefore, the sensitivity in nuclear magnetic resonance measurements for the molecules is enhanced and applications in the investigations of materials and surface sciences are expanded. The progress in the investigations of materials and surface sciences are expanded. The progress in the investigations of the polarization transfer between laser-polarized 129 Xe and the atomic nuclei in the molecules, the relative physics and the measurement of some parameters are introduced

Engineering and control of cold molecules. Making manipulating and exploiting ultra-cold polar molecules

International Nuclear Information System (INIS)

Bigelow, N.P.; Haimberger, C.; Kleinert, J.; Tscherneck, M.; Holmes, M.E.

2005-01-01

In the last 12 months several groups have demonstrated the use of photo association to create cold heteronuclear (polar) molecules. We report on the formation of translationally cold NaCs molecules starting from a laser-cooled atomic vapor of Na and Cs atoms. Colliding atoms are transferred into bound molecular states in a two-step photoactivated process. We find a translational temperature of T ≅ 260 mK. To increase the density and number of trapped atoms, dark-spot techniques are used on the MOT and a Zeeman slowed sodium beam is used to load the sodium atoms into the trap. Spectroscopy of these molecules is underway using time-of-flight ion detection and trap-loss. Initial REMPI measurements indicate that both singlet and triplet states are being populated by the spontaneous-decay driven process. We measure a rate constant for molecule formation of K NaCs = 7.43 · 10 15 cm 3 s -1 . (author)

Prospects for quantum computing with an array of ultracold polar paramagnetic molecules.

Science.gov (United States)

Karra, Mallikarjun; Sharma, Ketan; Friedrich, Bretislav; Kais, Sabre; Herschbach, Dudley

2016-03-07

Arrays of trapped ultracold molecules represent a promising platform for implementing a universal quantum computer. DeMille [Phys. Rev. Lett. 88, 067901 (2002)] has detailed a prototype design based on Stark states of polar (1)Σ molecules as qubits. Herein, we consider an array of polar (2)Σ molecules which are, in addition, inherently paramagnetic and whose Hund's case (b) free-rotor pair-eigenstates are Bell states. We show that by subjecting the array to combinations of concurrent homogeneous and inhomogeneous electric and magnetic fields, the entanglement of the array's Stark and Zeeman states can be tuned and the qubit sites addressed. Two schemes for implementing an optically controlled CNOT gate are proposed and their feasibility discussed in the face of the broadening of spectral lines due to dipole-dipole coupling and the inhomogeneity of the electric and magnetic fields.

Charge transport in non-polar and semi-polar III-V nitride heterostructures

International Nuclear Information System (INIS)

Konar, Aniruddha; Verma, Amit; Fang, Tian; Zhao, Pei; Jana, Raj; Jena, Debdeep

2012-01-01

Compared to the intense research focus on the optical properties, the transport properties in non-polar and semi-polar III-nitride semiconductors remain relatively unexplored to date. The purpose of this paper is to discuss charge-transport properties in non-polar and semi-polar orientations of GaN in a comparative fashion to what is known for transport in polar orientations. A comprehensive approach is adopted, starting from an investigation of the differences in the electronic bandstructure along different polar orientations of GaN. The polarization fields along various orientations are then discussed, followed by the low-field electron and hole mobilities. A number of scattering mechanisms that are specific to non-polar and semi-polar GaN heterostructures are identified, and their effects are evaluated. Many of these scattering mechanisms originate due to the coupling of polarization with disorder and defects in various incarnations depending on the crystal orientation. The effect of polarization orientation on carrier injection into quantum-well light-emitting diodes is discussed. This paper ends with a discussion of orientation-dependent high-field charge-transport properties including velocity saturation, instabilities and tunneling transport. Possible open problems and opportunities are also discussed. (paper)

Three dimensional alignment of molecules using elliptically polarized laser fields

DEFF Research Database (Denmark)

Larsen, J.J.; Bjerre, N.; Hald, K.

2000-01-01

We demonstrate, theoretically and experimentally, that an intense, elliptically polarized, nonresonant laser field can simultaneously force all three axes of a molecule to align along given axes fixed in space, thus inhibiting the free rotation in all three Euler angles. Theoretically, the effect...

3D-Printed Beam Splitter for Polar Neutral Molecules

Science.gov (United States)

Gordon, Sean D. S.; Osterwalder, Andreas

2017-04-01

We describe a macroscopic beam splitter for polar neutral molecules. A complex electrode structure is required for the beam splitter which would be very difficult to produce with traditional manufacturing methods. Instead, we make use of a nascent manufacturing technique: 3D printing of a plastic piece, followed by electroplating. This fabrication method opens a plethora of avenues for research, since 3D printing imposes practically no limitations on possible shapes, and the plating produces chemically robust, conductive construction elements with an almost free choice of surface material. It has the added advantage of dramatically reduced production cost and time. Our beam splitter is an electrostatic hexapole guide that smoothly transforms into two bent quadrupoles. We demonstrate the correct functioning of this device by separating a supersonic molecular beam of ND3 into two correlated fractions. It is shown that this device can be used to implement experiments with differential detection wherein one of the fractions serves as a probe and the other as a reference. Reverse operation would allow the merging of two beams of polar neutral molecules.

Adsorption of polar organic molecules on sediments: Case-study on Callovian-Oxfordian claystone.

Science.gov (United States)

Rasamimanana, S; Lefèvre, G; Dagnelie, R V H

2017-08-01

The release and transport of anthropogenic organic matter through the geosphere is often an environmental criterion of safety. Sedimentary rocks are widely studied in this context as geological barriers for waste management. It is the case of Callovian-Oxfordian claystone (COx), for which several studies report adsorption of anthropogenic organic molecules. In this study, we evaluated and reviewed adsorption data of polar organic molecules on COx claystone. Experiments were performed on raw claystone, decarbonated and clay fractions. Adsorption isotherms were measured with adsorbates of various polarities: adipate, benzoate, ortho-phthalate, succinate, gluconate, oxalate, EDTA, citrate. A significant adsorption was observed for multidentate polycarboxylic acids as evidenced with phthalate, succinate, oxalate, gluconate, EDTA and citrate (R d  = 1.53, 3.52, 8.4, 8.8, 12.4, 54.7 L kg -1 respectively). Multiple linear regression were performed as a statistical analysis to determine the predictors from these adsorption data. A linear correlation between adsorption data (R d ) and dipole moment (μ) of adsorbates was evidenced (R 2  = 0.91). Molecules with a high dipole moment, μ(D) > 2.5, displayed a significant adsorption, R d ≫1 L kg -1 . A qualitative correlation can be easily estimated using the water/octanol partition coefficient, P ow , of adsorbates (R 2  = 0.77). In this case, two opposite trends were distinguished for polar and apolar molecules. The use of organic carbon content in sediments is relevant for predicting adsorption of apolar compounds, log (P ow )>+1. The oxides/clays contents may be relevant regarding polar molecules, log ( apparent P ow )<-1. The proposed scheme offers a general methodology for investigation of geo-barriers towards heterogeneous organic plumes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Spectral and holographic characterization of new photochromic compounds based on substituted spiropyrans

Science.gov (United States)

Ciapurin, Igor V.; Robu, Stephan V.; Vlad, Lyudmila A.; Lessard, Roger A.; Tork, Amir; Lafond, Christophe; Bolte, Michel

2001-06-01

We report a new photochromic composite polymer consisting of poly-N-epoxypropylcarbazole (PEPC) polymeric matrix with a nitro-brome-substituted spiropyran (BNSP) photochromic dye. The PEPC + BNSP films can be considered as negative photochromic recording media. They are colored in the initial state and bleached upon irradiation within the visible spectra. When we placed the bleached samples to the darkness, they slowly revert to the colored form. This process has strong temperature dependence, so one can either 'freeze'' or accelerate changing of the current coloration state in the PEPC + BNSP. The experimental measurements are evaluated in conjunction with its potential applications for optical holographic recording in the visible spectral range. The real-time holographic recording procedure in PEPC + BNSP films was studied. The diffraction efficiency values reached the maximum of 23 percent at spatial frequency of 1600 line pairs per mm, during direct hologram recording with the 532 nm Coherent VERDI laser irradiation. Light exposures were ranged from 70 to 280 mJ/cm2. The investigated compounds have good perspectives for use in holography, two-photon optical data storage, electro-optics, and optical-limiting applications due to coupling of some unique properties such as high optical non-linearity, well charge transport, short response times, no-limiting resolution ability, etc.

Ground state of the polar alkali-metal-atom-strontium molecules: Potential energy curve and permanent dipole moment

International Nuclear Information System (INIS)

Guerout, R.; Aymar, M.; Dulieu, O.

2010-01-01

In this study, we investigate the structure of the polar alkali-metal-atom-strontium diatomic molecules as possible candidates for the realization of samples of ultracold polar molecular species not yet investigated experimentally. Using a quantum chemistry approach based on effective core potentials and core polarization potentials, we model these systems as effective three-valence-electron systems, allowing for calculation of electronic properties with full configuration interaction. The potential curve and the permanent dipole moment of the 2 Σ + ground state are determined as functions of the internuclear distance for LiSr, NaSr, KSr, RbSr, and CsSr molecules. These molecules are found to exhibit a significant permanent dipole moment, though smaller than those of the alkali-metal-atom-Rb molecules.

Rate coefficients for the reactions of ions with polar molecules at interstellar temperatures

International Nuclear Information System (INIS)

Adams, N.G.; Smith, D.; Clary, D.C.

1985-01-01

A theory has been developed recently which predicts that the rate coefficients, k, for the reactions of ions with polar molecules at low temperatures will be much greater than the canonical value of 10 -9 cm 3 s -1 . The new theory indicates that k is greatest for low-lying rotational sates and increases rapidly with decreasing temperature. We refer to recent laboratory measurements which validate the theory, present calculated values of k for the reactions of H + 3 ions with several polar molecules, and discuss their significance to interstellar chemistry. For the reactions of ions with molecules having large dipole moments, we recommend that k values as large as 10 -7 cm 3 s -1 should be used in ion-chemical models of low-temperature interstellar clouds

Cross sections and spin polarizations of electrons elastically scattered from oriented molecules (CH3I)

International Nuclear Information System (INIS)

Fink, M.; Ross, A.W.; Fink, R.J.

1989-01-01

Elastic differential cross sections and spin polarizations for electrons elastically scattered from CH 3 I are calculated using the independent atom model. Three molecular orientations with respect to the incident electron wavevector are considered - first, the molecule is oriented randomly, second, the electron wave front and molecular bond are parallel, and third, the wavefront and the bond axis are perpendicular. It will be seen to what extent orientational averaging weakens features of the cross section and spin polarization. The calculations show that cross section and spin polarization measurements are a possible tool for determining the degree of molecular orientation. There is no degeneracy between I-C and C-I in cross section and spin polarization measurements. The results presented here for 200 eV and 600 eV electrons scattered by CH 3 I should be considered as a case study and it should be possible to find molecules and electron energies for which even more dramatic differences between the various orientations between the molecules and the electrons can be expected. (orig.)

Importance of the alignment of polar π conjugated molecules inside carbon nanotubes in determining second-order non-linear optical properties.

Science.gov (United States)

Yumura, Takashi; Yamamoto, Wataru

2017-09-20

We employed density functional theory (DFT) calculations with dispersion corrections to investigate energetically preferred alignments of certain p,p'-dimethylaminonitrostilbene (DANS) molecules inside an armchair (m,m) carbon nanotube (n × DANS@(m,m)), where the number of inner molecules (n) is no greater than 3. Here, three types of alignments of DANS are considered: a linear alignment in a parallel fashion and stacking alignments in parallel and antiparallel fashions. According to DFT calculations, a threshold tube diameter for containing DANS molecules in linear or stacking alignments was found to be approximately 1.0 nm. Nanotubes with diameters smaller than 1.0 nm result in the selective formation of linearly aligned DANS molecules due to strong confinement effects within the nanotubes. By contrast, larger diameter nanotubes allow DANS molecules to align in a stacking and linear fashion. The type of alignment adopted by the DANS molecules inside a nanotube is responsible for their second-order non-linear optical properties represented by their static hyperpolarizability (β 0 values). In fact, we computed β 0 values of DANS assemblies taken from optimized n × DANS@(m,m) structures, and their values were compared with those of a single DANS molecule. DFT calculations showed that β 0 values of DANS molecules depend on their alignment, which decrease in the following order: linear alignment > parallel stacking alignment > antiparallel stacking alignment. In particular, a linear alignment has a β 0 value more significant than that of the same number of isolated molecules. Therefore, the linear alignment of DANS molecules, which is only allowed inside smaller diameter nanotubes, can strongly enhance their second-order non-linear optical properties. Since the nanotube confinement determines the alignment of DANS molecules, a restricted nanospace can be utilized to control their second-order non-linear optical properties. These DFT findings can assist in the

Permanent and induced dipole requirements in ab initio calculations of electron affinities of polar molecules

International Nuclear Information System (INIS)

Garrett, W.R.

1979-01-01

Through the use of a molecular pseudopotential method, we determine the a approximate magnitudes of errors that result when electron affinity determinations of polar negative ions are made through ab initio calculations in which the use of a given basis set yields inappropriate values for permanent and induced dipole moments of the neutral molecule. These results should prove useful in assessing the adequacy of basis sets in ab initio calculations of molecular electron affinities for simple linear polar molecules

Investigation of light-induced conformation changes in spiropyran-modified succinylated poly(L-lysine).

Science.gov (United States)

Cooper, T M; Stone, M O; Natarajan, L V; Crane, R L

1995-08-01

To determine the maximum range of coupling between side-chain photochromism and polypeptide conformation change, we modified the carboxylate side chains of succinylated poly(L-lysine) with a spiropyran to form polypeptide I. The extent of modification was determined to be 35.5%. The spacer group length between the polypeptide alpha-carbon and the dye was 12 atoms, providing minimum polypeptide-dye interaction. Conformation changes were monitored by circular dichroism as a function of light adaptation and solvent composition (hexafluoroisopropanol [HFIP] vs trifluoroethanol [TFE]). Under all solvent compositions, the dark-adapted dye was in the merocyanine form. Light adaptation by visible light converted the dye to the spiropyran form. When dissolved in TFE, I adopted a helical conformation insensitive to light adaptation. With increasing percentage HFIP, a solvent-induced helix-to-coil transition was observed around 80% (vol/vol) HFIP. At 100% HFIP, both light- and dark-adapted forms of I were in the coil state. Near the midpoint of the solvent-induced helix-to-coil transition, light adaptation caused conformation changes. Applying helix-to-coil transition theory, we measured a statistically significant difference in coil segment-HFIP binding constant for light- vs dark-adapted solutions (6.38 +/- 0.03 M-1 vs 6.56 +/- 0.03 M-1), but not for the nucleation parameter sigma (1.2 +/- 0.4 10(-3) vs 1.3 +/- 0.3 x 10(-3). The small binding constant difference translated to a light-induced binding energy difference of 17 cal/mol/monomer. Near the midpoint of the helix-to-coil transition, collective interactions between monomer units made possible the translation of a small energy difference (less than RT) into large macromolecular conformation changes.(ABSTRACT TRUNCATED AT 250 WORDS)

Study of excess carrier dynamics in polar, semi-polar, and non-polar (In,Ga)N epilayers and QWs

Energy Technology Data Exchange (ETDEWEB)

Aleksiejunas, R. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Lubys, L.; Jarasiunas, K. [Institute of Applied Research, Vilnius University, Sauletekio Ave. 9-III, 10222 Vilnius (Lithuania); Vengris, M. [Laser Research Center, Vilnius University, Sauletekio Ave. 10, 10222 Vilnius (Lithuania); Wernicke, T.; Hoffmann, V.; Netzel, C.; Knauer, A.; Weyers, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Kneissl, M. [Ferdinand-Braun-Institut, Leibniz-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Str. 4, 12498 Berlin (Germany); Institute of Solid State Physics, Technische Universitaet Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)

2011-07-15

We studied carrier recombination and diffusion in GaN/sapphire templates, (In,Ga)N layers, and (In,Ga)N quantum well structures oriented along the polar [0001], semi-polar [11-22], and non-polar [11-20] orientations by means of light induced transient grating, differential transmission, and photoluminescence optical techniques. We show that the lifetime of excess carriers drops by orders of magnitude when changing the orientation from polar to non-polar, both in GaN templates and (In,Ga)N layers. We attribute the shorter lifetime to carrier trapping by extended structural defects that are more abundant in non-polar grown samples. In addition, we observe pronounced carrier localization effects in the semi- and non-polar layers. We show that thick (In,Ga)N layers inherit the properties of the GaN templates. However, the thin quantum well structures show a lower carrier trapping activity. So, a better electrical quality can be assumed as compared to the thick (In,Ga)N layers. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Design of reproducible polarized and non-polarized edge filters using genetic algorithm

International Nuclear Information System (INIS)

Ejigu, Efrem Kebede; Lacquet, B M

2010-01-01

Recent advancement in optical fibre communications technology is partly due to the advancement of optical thin film technology. The advancement of optical thin film technology includes the development of new and existing optical filter design methods. The genetic algorithm is one of the new design methods that show promising results in designing a number of complicated design specifications. It is the finding of this study that the genetic algorithm design method, through its optimization capability, can give more reliable and reproducible designs of any specifications. The design method in this study optimizes the thickness of each layer to get to the best possible solution. Its capability and unavoidable limitations in designing polarized and non-polarized edge filters from absorptive and dispersive materials is well demonstrated. It is also demonstrated that polarized and non-polarized designs from the genetic algorithm are reproducible with great success. This research has accomplished the great task of formulating a computer program using the genetic algorithm in a Matlab environment for the design of a reproducible polarized and non-polarized filters of any sort from any kind of materials

"On-off-on" switchable sensor: a fluorescent spiropyran responds to extreme pH conditions and its bioimaging applications.

Science.gov (United States)

Wan, Shulin; Zheng, Yang; Shen, Jie; Yang, Wantai; Yin, Meizhen

2014-11-26

A novel spiropyran that responds to both extreme acid and extreme alkali and has an "on-off-on" switch is reported. Benzoic acid at the indole N-position and carboxyl group at the indole 6-position contribute to the extreme acid response. The ionizations of carboxyl and phenolic hydroxyl groups cause the extreme alkali response. Moreover, the fluorescent imaging in bacterial cells under extreme pH conditions supports the mechanism of pH response.

Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

Directory of Open Access Journals (Sweden)

A. C. Vutha

2018-01-01

Full Text Available We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the z ^ -direction by an applied electric field, as has recently been demonstrated by Park et al. The trapped molecules are prepared into a state that has its electron spin perpendicular to z ^ , and a magnetic field along z ^ causes precession of this spin. An electron electric dipole moment d e would affect this precession due to the up to 100 GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring d e to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

Influence of intrinsic decoherence on tripartite entanglement and bipartite fidelity of polar molecules in pendular states

Energy Technology Data Exchange (ETDEWEB)

Han, Jia-Xing; Hu, Yuan; Jin, Yu [Key Laboratory of Micro-Nano Measurement-Manipulation and Physics (Ministry of Education), School of Physics and Nuclear Energy Engineering, Beihang University, Xueyuan Road No. 37, Beijing 100191 (China); Zhang, Guo-Feng, E-mail: gf1978zhang@buaa.edu.cn [Key Laboratory of Micro-Nano Measurement-Manipulation and Physics (Ministry of Education), School of Physics and Nuclear Energy Engineering, Beihang University, Xueyuan Road No. 37, Beijing 100191 (China); State Key Laboratory of Software Development Environment, Beihang University, Xueyuan Road No. 37, Beijing 100191 (China); State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084 (China); Key Laboratory of Quantum Information, University of Science and Technology of China, Chinese Academy of Sciences, Hefei 230026 (China)

2016-04-07

An array of ultracold polar molecules trapped in an external electric field is regarded as a promising carrier of quantum information. Under the action of this field, molecules are compelled to undergo pendular oscillations by the Stark effect. Particular attention has been paid to the influence of intrinsic decoherence on the model of linear polar molecular pendular states, thereby we evaluate the tripartite entanglement with negativity, as well as fidelity of bipartite quantum systems for input and output signals using electric dipole moments of polar molecules as qubits. According to this study, we consider three typical initial states for both systems, respectively, and investigate the temporal evolution with variable values of the external field intensity, the intrinsic decoherence factor, and the dipole-dipole interaction. Thus, we demonstrate the sound selection of these three main parameters to obtain the best entanglement degree and fidelity.

Dispersing surface-modified imogolite nanotubes in polar and non-polar solvents

Science.gov (United States)

Li, Ming; Brant, Jonathan A.

2018-02-01

Furthering the development of nanocomposite structures, namely membranes for water treatment applications, requires that methods be developed to ensure nanoparticle dispersion in polar and non-polar solvents, as both are widely used in associated synthesis techniques. Here, we report on a two-step method to graft polyvinylpyrrolidone (PVP), and a one-step method for octadecylphosphonic acid (OPA), onto the outer surfaces of imogolite nanotubes. The goal of these approaches was to improve and maintain nanotube dispersion in polymer compatible polar and non-polar solvents. The PVP coating modified the imogolite surface charge from positive to weakly negative at pH ≤ 9; the OPA made it weakly positive at acidic pH values to negative at pH ≥ 7. The PVP surface coating stabilized the nanotubes through steric hindrance in polar protic, dipolar aprotic, and chloroform. In difference to the PVP, the OPA surface coating allowed the nanotubes to be dispersed in n-hexane and chloroform, but not in the polar solvents. The lack of miscibility in the polar solvents, as well as the better dispersion in n-hexane, was attributed to the stronger hydrophobicity of the OPA polymer relative to the PVP. [Figure not available: see fulltext.

Photon beam polarization and non-dipolar angular distributions

International Nuclear Information System (INIS)

Peshkin, M.

1996-01-01

Angular distributions of ejecta from unoriented atoms and molecules depend upon the polarization state of the incident x-rays as well as upon the dynamics of the physical systems being studied. I recommend a simple geometrical way of looking at the polarization and its effects upon angular distributions. The polarization is represented as a vector in a parameter space that faithfully represents the polarization of the beam. The simple dependence of the angular dependence of the angular distributions on the polarization vector enables easy extraction of the dynamical information contained in those angular distributions. No new physical results emerge from this geometrical approach, but known consequences of the symmetries appear in an easily visualized form that I find pleasing and that has proved to be useful for planning experiments and for analyzing data

Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

International Nuclear Information System (INIS)

Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

2008-01-01

A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

Electric moments in molecule interferometry

International Nuclear Information System (INIS)

Eibenberger, Sandra; Gerlich, Stefan; Arndt, Markus; Tuexen, Jens; Mayor, Marcel

2011-01-01

We investigate the influence of different electric moments on the shift and dephasing of molecules in a matter wave interferometer. Firstly, we provide a quantitative comparison of two molecules that are non-polar yet polarizable in their thermal ground state and that differ in their stiffness and response to thermal excitations. While C 25 H 20 is rather rigid, its larger derivative C 49 H 16 F 52 is additionally equipped with floppy side chains and vibrationally activated dipole moment variations. Secondly, we elucidate the role of a permanent electric dipole momentby contrasting the quantum interference pattern of a (nearly) non-polar and a polar porphyrin derivative. We find that a high molecular polarizability and even sizeable dipole moment fluctuations are still well compatible with high-contrast quantum interference fringes. The presence of permanent electric dipole moments, however, can lead to a dephasing and rapid degradation of the quantum fringe pattern already at moderate electric fields. This finding is of high relevance for coherence experiments with large organic molecules, which are generally equipped with strong electric moments.

Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

Science.gov (United States)

Vutha, A.; Horbatsch, M.; Hessels, E.

2018-01-01

We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the $\\hat{\\rm{z}}$ direction by an applied electric field, as has recently been demonstrated by Park, et al. [Angewandte Chemie {\\bf 129}, 1066 (2017)]. The trapped molecules are prepared into a state which has its electron spin perpendicular to $\\hat{\\rm{z}}$, and a magnetic field along $\\hat{\\rm{z}}$ causes precession of this spin. An electron electric dipole moment $d_e$ would affect this precession due to the up to 100~GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring $d_e$ to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

Hydration of non-polar anti-parallel β-sheets

International Nuclear Information System (INIS)

Urbic, Tomaz; Dias, Cristiano L.

2014-01-01

In this work we focus on anti-parallel β-sheets to study hydration of side chains and polar groups of the backbone using all-atom molecular dynamics simulations. We show that: (i) water distribution around the backbone does not depend significantly on amino acid sequence, (ii) more water molecules are found around oxygen than nitrogen atoms of the backbone, and (iii) water molecules around nitrogen are highly localized in the planed formed by peptide backbones. To study hydration around side chains we note that anti-parallel β-sheets exhibit two types of cross-strand pairing: Hydrogen-Bond (HB) and Non-Hydrogen-Bond (NHB) pairing. We show that distributions of water around alanine, leucine, and valine side chains are very different at HB compared to NHB faces. For alanine pairs, the space between side chains has a higher concentration of water if residues are located in the NHB face of the β-sheet as opposed to the HB face. For leucine residues, the HB face is found to be dry while the space between side chains at the NHB face alternates between being occupied and non-occupied by water. Surprisingly, for valine residues the NHB face is dry, whereas the HB face is occupied by water. We postulate that these differences in water distribution are related to context dependent propensities observed for β-sheets

A molecular beam machine for the measurement of the scattering of polar diatomic molecules

International Nuclear Information System (INIS)

Everdij, J.J.

1976-01-01

This thesis describes an experimental method to determine the long range, angular dependent part of the intermolecular potential between a polar diatomic molecule and a spherical symmetric partner. The method contains the study of the scattering behaviour of the molecules in a crossed beam experiment. The primary beam consisting of polar diatomic molecules at thermal velocities (approximately 0.1 eV), is selected in a specified rotational state by means of an electrostatic, inhomogeneous field before the scattering center, where it crosses the (supersonic) secondary beam under an angle of 90 0 . By means of a second state selector, followed by a velocity selector and a particle detector, the consequences are studied of the scattering process on the primary beam, i.e. the behaviour of the total and differential elastic cross sections plus the transition probability of a collision induced transition to another rotational state. (Auth.)

Polarization measurement for internal polarized gaseous targets

International Nuclear Information System (INIS)

Ye Zhenyu; Ye Yunxiu; Lv Haijiang; Mao Yajun

2004-01-01

The authors present an introduction to internal polarized gaseous targets, polarization method, polarization measurement method and procedure. To get the total nuclear polarization of hydrogen atoms (including the polarization of the recombined hydrogen molecules) in the target cell, authors have measured the parameters relating to atomic polarization and polarized hydrogen atoms and molecules. The total polarization of the target during our measurement is P T =0.853 ± 0.036. (authors)

Solvation study of the non-specific lipid transfer protein from wheat by intermolecular NOEs with water and small organic molecules

International Nuclear Information System (INIS)

Liepinsh, Edvards; Sodano, Patrick; Tassin, Severine; Marion, Didier; Vovelle, Francoise; Otting, Gottfried

1999-01-01

Intermolecular nuclear Overhauser effects (NOEs) were measured between the protons of various small solvent or gas molecules and the non-specific lipid transfer protein (ns-LTP) from wheat. Intermolecular NOEs were observed with the hydrophobic pocket in the interior of wheat ns-LTP, which grew in intensity in the order cyclopropane (saturated solution) < methane (140 bar) < ethane (40 bar) < acetonitrile (5% in water) < cyclohexane (saturated solution) < benzene (saturated solution). No intermolecular NOEs were observed with dioxane (5% in water). The intermolecular NOEs were negative for all of the organic molecules tested. Intermolecular NOEs between wheat ns-LTP and water were weak or could not be distinguished from exchange-relayed NOEs. As illustrated by the NOEs with cyclohexane versus dioxane, the hydrophobic pocket in wheat ns-LTP preferably binds non-polar molecules. Yet, polar molecules like acetonitrile can also be accommodated. The pressure dependence of the NOEs between methane and wheat ns-LTP indicated incomplete occupancy, even at 190 bar methane pressure. In general, NOE intensities increased with the size of the ligand molecule and its vapor pressure. NMR of the vapor phase showed excellent resolution between the signals from the gas phase and those from the liquid phase. The vapor concentration of cyclohexane was fivefold higher than that of the dioxane solution, supporting the binding of cyclohexane versus uptake of dioxane

Material and device studies for the development of ultra-violet light emitting diodes (UV-LEDS) along polar, non-polar and semi-polar directions

Science.gov (United States)

Chandrasekaran, Ramya

Over the past few years, significant effort was dedicated to the development of ultraviolet light emitting diodes (UV-LEDs) for a variety of applications. Such applications include chemical and biological detection, water purification and solid-state lighting. III-Nitride LEDs based on multiple quantum wells (MQWs) grown along the conventional [0001] (polar) direction suffer from the quantum confined Stark effect (QCSE), due to the existence of strong electric fields that arise from spontaneous and piezoelectric polarization. Thus, there is strong motivation to develop MQW-based III-nitride LED structures grown along non-polar and semi-polar directions. The goal of this dissertation is to develop UV-LEDs along the [0001] polar and [11 2¯ 0] non-polar directions by the method of Molecular Beam Epitaxy (MBE). The polar and non-polar LEDs were grown on the C-plane and R-plane sapphire substrates respectively. This work is a combination of materials science studies related to the nucleation, growth and n- and p-type doping of III-nitride films on these two substrates, as well as device studies related to fabrication and characterization of UV-LEDs. It was observed that the crystallographic orientation of the III-nitride films grown on R-plane sapphire depends strongly on the kinetic conditions of growth of the Aluminum Nitride (AIN) buffer. Specifically, growth of the AIN buffer under group III-rich conditions leads to nitride films having the (11 2¯ 0) non polar planes parallel to the sapphire surface, while growth of the buffer under nitrogen rich conditions leads to nitride films with the (11 2¯ 6) semi-polar planes parallel to the sapphire surface. The electron concentration and mobility for the films grown along the polar, non-polar and semi-polar directions were investigated. P-type doping of Gallium Nitride (GaN) films grown on the nonpolar (11 2¯ 0) plane do not suffer from polarity inversion and thus the material was doped p-type with a hole concentration

The influence of non-polar lipids on tear film dynamics

KAUST Repository

Bruna, M.

2014-04-04

© 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non-polar lipid layer, the thickness of the aqueous layer and the concentration of polar lipids which reside at the interface between the two. We also utilise a force balance in the non-polar lipid layer in order to determine its velocity. We show how to obtain previous models in the literature from our model by making particular choices of the parameters. We see the formation of boundary layers in some of these submodels, across which the concentration of polar lipid and the non-polar lipid velocity and film thickness vary. We solve our model numerically for physically realistic parameter values, and we find that the evolution of the aqueous layer and the polar lipid layer are similar to that described by previous authors. However, there are interesting dynamics for the non-polar lipid layer. The effects of altering the key parameters are highlighted and discussed. In particular, we see that the Marangoni number plays a key role in determining how far over the eye the non-polar lipid spreads.

Spectrally Resolved and Functional Super-resolution Microscopy via Ultrahigh-Throughput Single-Molecule Spectroscopy.

Science.gov (United States)

Yan, Rui; Moon, Seonah; Kenny, Samuel J; Xu, Ke

2018-03-20

SMLM was next utilized to achieve f-SRM. By encoding functional information into the spectral responses of environment-sensing fluorescent probes, f-SRM transcends the structural information provided by typical SRM techniques and reveals the spatiotemporal distribution of physicochemical parameters with single-molecule sensitivity and nanoscale spatial resolution. As one example, by employing the solvatochromic dye Nile Red to sense local chemical polarity, we revealed nanoscale heterogeneity in the membranes of live mammalian cells. This enabled us to unveil substantial polarity differences between the plasma membrane and the membranes of nanoscale intracellular organelles, a result we determined to be due to differences in local cholesterol levels. With the addition of cholesterol or cholera toxin, we further observed the formation of low-polarity, raftlike nanodomains in the plasma membrane. In another study, we generalized SR-SMLM to fluorogenic single-molecule reactions. As a wide-field technique, SR-SMLM readily captures the emission spectra of individual product fluorescent molecules that are stochastically produced from nonfluorescent reactants at random locations over large sample areas, and therefore, it provides the unique possibility to spectrally identify and characterize single product molecules in a high-throughput fashion. Using the ring-opening reaction of a photochromic spiropyran as an example, we demonstrated that the capability to resolve the emission spectra of single product molecules could unveil rich, multipath reaction pathways. In summary, by integrating the spatial, temporal, and spectral dimensions of single-molecule fluorescence, SR-SMLM and f-SRM add rich spectral and functional dimensions to SRM and thus open up new ways of probing biological and chemical systems at the single-molecule and nanoscale levels.

Quantum coherent π-electron rotations in a non-planar chiral molecule induced by using a linearly polarized UV laser pulse

Science.gov (United States)

Mineo, Hirobumi; Fujimura, Yuichi

2015-06-01

We propose an ultrafast quantum switching method of π-electron rotations, which are switched among four rotational patterns in a nonplanar chiral aromatic molecule (P)-2,2’- biphenol and perform the sequential switching among four rotational patterns which are performed by the overlapped pump-dump laser pulses. Coherent π-electron dynamics are generated by applying the linearly polarized UV pulse laser to create a pair of coherent quasidegenerated excited states. We also plot the time-dependent π-electron ring current, and discussed ring current transfer between two aromatic rings.

Spectral simulations of polar diatomic molecules immersed in He clusters: application to the ICl (X) molecule

International Nuclear Information System (INIS)

Villarreal, P; Lara-Castells, M P de; Prosmiti, R; Delgado-Barrio, G; Lopez-Duran, D; Gianturco, F A; Jellinek, J

2007-01-01

A recently developed quantum-chemistry-like methodology to study molecules solvated in atomic clusters is applied to the ICl (iodine chloride) polar diatomic molecule immersed in clusters of He atoms. The atoms of the solvent clusters are treated as the 'electrons' and the solvated molecule as a structured 'nucleus' of the combined solvent-solute system. The helium-helium and helium-dopant interactions are represented by parametrized two-body and ab initio three-body potentials, respectively. The ground-state wavefunctions are used to compute the infrared (IR) spectra of the solvated molecule. In agreement with the experimental observations, the computed spectra exhibit considerable differences depending on whether the solvent cluster is comprised of bosonic ( 4 He) or fermionic ( 3 He) atoms. The source of these differences is attributed to the different spin-statistics of the solvent clusters. The bosonic versus fermionic nature of the solvent is reflected in the IR absorption selection rules. Only P and R branches with single state transitions appear in the spectrum when the molecule is solvated in a bosonic cluster. On the other hand, when the solvent represents a fermionic environment, quasi-degenerate multiplets of spin states contribute to each branch and, in addition, the Q-branch becomes also allowed. Combined, these two factors explain the more congested nature of the spectrum in the fermionic case

Non-commutativity in polar coordinates

Energy Technology Data Exchange (ETDEWEB)

Edwards, James P. [Universidad Michoacana de San Nicolas de Hidalgo, Ciudad Universitaria, Instituto de Fisica y Matematicas, Morelia, Michoacan (Mexico)

2017-05-15

We reconsider the fundamental commutation relations for non-commutative R{sup 2} described in polar coordinates with non-commutativity parameter θ. Previous analysis found that the natural transition from Cartesian coordinates to the traditional polar system led to a representation of [r, φ] as an everywhere diverging series. In this article we compute the Borel resummation of this series, showing that it can subsequently be extended throughout parameter space and hence provide an interpretation of this commutator. Our analysis provides a complete solution for arbitrary r and θ that reproduces the earlier calculations at lowest order and benefits from being generally applicable to problems in a two-dimensional non-commutative space. We compare our results to previous literature in the (pseudo-)commuting limit, finding a surprising spatial dependence for the coordinate commutator when θ >> r{sup 2}. Finally, we raise some questions for future study in light of this progress. (orig.)

Electric Charge Accumulation in Polar and Non-Polar Polymers under Electron Beam Irradiation

Science.gov (United States)

Nagasawa, Kenichiro; Honjoh, Masato; Takada, Tatsuo; Miyake, Hiroaki; Tanaka, Yasuhiro

The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula.

Electric charge accumulation in polar and non-polar polymers under electron beam irradiation

International Nuclear Information System (INIS)

Nagasawa, Kenichiro; Honjoh, Masato; Takada, Tatsuo; Miyake, Hiroaki; Tanaka, Yasuhiro

2010-01-01

The electric charge accumulation under an electron beam irradiation (40 keV and 60 keV) was measured by using the pressure wave propagation (PWP) method in the dielectric insulation materials, such as polar polymeric films (polycarbonate (PC), polyethylene-naphthalate (PEN), polyimide (PI), and polyethylene-terephthalate (PET)) and non-polar polymeric films (polystyrene (PS), polypropylene (PP), polyethylene (PE) and polytetrafluoroethylene (PTFE)). The PE and PTFE (non-polar polymers) showed the properties of large amount of electric charge accumulation over 50 C/m 3 and long saturation time over 80 minutes. The PP and PS (non-polar polymer) showed the properties of middle amount of charge accumulation about 20 C/m 3 and middle saturation time about 1 to 20 minutes. The PC, PEN, PI and PET (polar polymers) showed the properties of small amount of charge accumulation about 5 to 20 C/m 3 and within short saturation time about 1.0 minutes. This paper summarizes the relationship between the properties of charge accumulation and chemical structural formula, and compares between the electro static potential distribution with negative charged polymer and its chemical structural formula. (author)

Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds

DEFF Research Database (Denmark)

Medvedev, Oleg; Shapiro, Alexander

2005-01-01

The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only f...

Implementation of quantum logic gates using polar molecules in pendular states.

Science.gov (United States)

Zhu, Jing; Kais, Sabre; Wei, Qi; Herschbach, Dudley; Friedrich, Bretislav

2013-01-14

We present a systematic approach to implementation of basic quantum logic gates operating on polar molecules in pendular states as qubits for a quantum computer. A static electric field prevents quenching of the dipole moments by rotation, thereby creating the pendular states; also, the field gradient enables distinguishing among qubit sites. Multi-target optimal control theory is used as a means of optimizing the initial-to-target transition probability via a laser field. We give detailed calculations for the SrO molecule, a favorite candidate for proposed quantum computers. Our simulation results indicate that NOT, Hadamard and CNOT gates can be realized with high fidelity, as high as 0.985, for such pendular qubit states.

Optically Defined Modal Sensors Incorporating Spiropyran-Doped Liquid Crystals with Piezoelectric Sensors

Directory of Open Access Journals (Sweden)

Hui-Lung Kuo

2011-01-01

Full Text Available We integrated a piezoelectric sensing layer lamina containing liquid crystals (LC and spiropyran (SP in a LC/SP mixture to create an optically reconfigurable modal sensor for a cantilever beam. The impedance of this LC/SP lamina was decreased by UV irradiation which constituted the underlying mechanism to modulate the voltage externally applied to the piezoelectric actuating layer. Illuminating a specific pattern onto the LC/SP lamina provided us with a way to spatially modulate the piezoelectric vibration signal. We showed that if an UV illuminated pattern matches the strain distribution of a specific mode, a piezoelectric modal sensor can be created. Since UV illumination can be changed in situ in real-time, our results confirm for the first time since the inception of smart sensors, that an optically tailored modal sensor can be created. Some potential applications of this type of sensor include energy harvesting devices, bio-chips, vibration sensing and actuating devices.

POLARIZED LINE FORMATION IN NON-MONOTONIC VELOCITY FIELDS

Energy Technology Data Exchange (ETDEWEB)

Sampoorna, M.; Nagendra, K. N., E-mail: sampoorna@iiap.res.in, E-mail: knn@iiap.res.in [Indian Institute of Astrophysics, Koramangala, Bengaluru 560034 (India)

2016-12-10

For a correct interpretation of the observed spectro-polarimetric data from astrophysical objects such as the Sun, it is necessary to solve the polarized line transfer problems taking into account a realistic temperature structure, the dynamical state of the atmosphere, a realistic scattering mechanism (namely, the partial frequency redistribution—PRD), and the magnetic fields. In a recent paper, we studied the effects of monotonic vertical velocity fields on linearly polarized line profiles formed in isothermal atmospheres with and without magnetic fields. However, in general the velocity fields that prevail in dynamical atmospheres of astrophysical objects are non-monotonic. Stellar atmospheres with shocks, multi-component supernova atmospheres, and various kinds of wave motions in solar and stellar atmospheres are examples of non-monotonic velocity fields. Here we present studies on the effect of non-relativistic non-monotonic vertical velocity fields on the linearly polarized line profiles formed in semi-empirical atmospheres. We consider a two-level atom model and PRD scattering mechanism. We solve the polarized transfer equation in the comoving frame (CMF) of the fluid using a polarized accelerated lambda iteration method that has been appropriately modified for the problem at hand. We present numerical tests to validate the CMF method and also discuss the accuracy and numerical instabilities associated with it.

Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

Directory of Open Access Journals (Sweden)

Nicolas P. Tambellini

2013-07-01

Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

Non-polar InGaN quantum dot emission with crystal-axis oriented linear polarization

Energy Technology Data Exchange (ETDEWEB)

Reid, Benjamin P. L., E-mail: benjamin.reid@physics.ox.ac.uk; Chan, Christopher C. S.; Taylor, Robert A. [Clarendon Laboratory, Department of Physics, University of Oxford, Oxford OX1 3PU (United Kingdom); Kocher, Claudius [Department of Physics, University of Konstanz, Konstanz 78457 (Germany); Zhu, Tongtong; Oehler, Fabrice; Oliver, Rachel A. [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

2015-04-27

Polarization sensitive photoluminescence is performed on single non-polar InGaN quantum dots. The studied InGaN quantum dots are found to have linearly polarized emission with a common polarization direction defined by the [0001] crystal axis. Around half of ∼40 studied dots have a polarization degree of 1. For those lines with a polarization degree less than 1, we can resolve fine structure splittings between −800 μeV and +800 μeV, with no clear correlation between fine structure splitting and emission energy.

Non-sky polarization-based dehazing algorithm for non-specular objects using polarization difference and global scene feature.

Science.gov (United States)

Qu, Yufu; Zou, Zhaofan

2017-10-16

Photographic images taken in foggy or hazy weather (hazy images) exhibit poor visibility and detail because of scattering and attenuation of light caused by suspended particles, and therefore, image dehazing has attracted considerable research attention. The current polarization-based dehazing algorithms strongly rely on the presence of a "sky area", and thus, the selection of model parameters is susceptible to external interference of high-brightness objects and strong light sources. In addition, the noise of the restored image is large. In order to solve these problems, we propose a polarization-based dehazing algorithm that does not rely on the sky area ("non-sky"). First, a linear polarizer is used to collect three polarized images. The maximum- and minimum-intensity images are then obtained by calculation, assuming the polarization of light emanating from objects is negligible in most scenarios involving non-specular objects. Subsequently, the polarization difference of the two images is used to determine a sky area and calculate the infinite atmospheric light value. Next, using the global features of the image, and based on the assumption that the airlight and object radiance are irrelevant, the degree of polarization of the airlight (DPA) is calculated by solving for the optimal solution of the correlation coefficient equation between airlight and object radiance; the optimal solution is obtained by setting the right-hand side of the equation to zero. Then, the hazy image is subjected to dehazing. Subsequently, a filtering denoising algorithm, which combines the polarization difference information and block-matching and 3D (BM3D) filtering, is designed to filter the image smoothly. Our experimental results show that the proposed polarization-based dehazing algorithm does not depend on whether the image includes a sky area and does not require complex models. Moreover, the dehazing image except specular object scenarios is superior to those obtained by Tarel

The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem

Energy Technology Data Exchange (ETDEWEB)

Humphreys, C.J., E-mail: colin.humphreys@msm.cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Griffiths, J.T., E-mail: jg641@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Tang, F., E-mail: ft274@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Oehler, F., E-mail: fabrice.oehler@lpn.cnrs.fr [CNRS/C2N, Paris Sud University, Route de Nozay, 91460 Marcoussis (France); Findlay, S.D., E-mail: scott.findlay@monash.edu [School of Physics and Astronomy, Monash University, Victoria 3800 (Australia); Zheng, C., E-mail: changlin.zheng@monash.edu [Monash Centre for Electron Microscopy, Monash University, Victoria 3800 (Australia); Etheridge, J., E-mail: joanne.etheridge@mcem.monash.edu [Department of Materials Science and Engineering, Monash University, Victoria 3800 (Australia); Martin, T.L., E-mail: tomas.martin@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Bagot, P.A.J., E-mail: paul.bagot@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Moody, M.P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Sutherland, D., E-mail: danny.sutherland@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Dawson, P., E-mail: philip.dawson@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S., E-mail: stefan.schulz@tyndall.ie [Tyndall National Institute, Lee Maltings Complex, Dyke Parade, Cork (Ireland); and others

2017-05-15

Highlights: • We have studied the atomic structure of polar and non-polar InGaN quantum wells. • The non-polar (11-20) InGaN quantum wells contain indium-rich clusters, unlike the polar (0001) quantum wells. • The electrons and holes in the quantum wells are localised by different mechanisms. - Abstract: We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20 meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60 meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

Polarization-Independent Electrically Tunable Holographic Polymer Dispersed Liquid Crystals Grating Doped with Chiral Molecules

Directory of Open Access Journals (Sweden)

Hui LI

2017-08-01

Full Text Available This study proposes a holographic grating made of polymer dispersed liquid crystal (PDLC, with a small amount of chiral molecules doped into PDLC material. The major advantage of this grating is that it is independent of light polarization. This characteristic was verified by applying the interference beam intensity of a He-Cd laser at 150 mW/cm2, with an incidence angle between the two interference beams of 24°, for an irradiation curing duration of 120 s. The observed periodic structure of the grating is consistent with the theoretical value. As chiral molecules are doped, nematic-LC experiences a phase-change in the grating. However, the electro-optical features are only slightly affected. This proposed grating has greatly potential in 3D imaging because of its polarization-independent feature.DOI: http://dx.doi.org/10.5755/j01.ms.23.2.16312

Non-uniformity calibration for MWIR polarization imagery obtained with integrated microgrid polarimeters

Science.gov (United States)

Liu, Hai-Zheng; Shi, Ze-Lin; Feng, Bin; Hui, Bin; Zhao, Yao-Hong

2016-03-01

Integrating microgrid polarimeters on focal plane array (FPA) of an infrared detector causes non-uniformity of polarization response. In order to reduce the effect of polarization non-uniformity, this paper constructs an experimental setup for capturing raw flat-field images and proposes a procedure for acquiring non-uniform calibration (NUC) matrix and calibrating raw polarization images. The proposed procedure takes the incident radiation as a polarization vector and offers a calibration matrix for each pixel. Both our matrix calibration and two-point calibration are applied to our mid-wavelength infrared (MWIR) polarization imaging system with integrated microgrid polarimeters. Compared with two point calibration, our matrix calibration reduces non-uniformity by 30 40% under condition of flat-field data test with polarization. The ourdoor scene observation experiment indicates that our calibration can effectively reduce polarization non-uniformity and improve the image quality of our MWIR polarization imaging system.

Smart photovoltaics based on dye-sensitized solar cells using photochromic spiropyran derivatives as photosensitizers

International Nuclear Information System (INIS)

Ma, Shengbo; Ting, Hungkit; Ma, Yingzhuang; Zheng, Lingling; Zhang, Miwei; Xiao, Lixin; Chen, Zhijian

2015-01-01

In this paper, smart photovoltaic (SPV) devices, integrating both functions of solar cells and smart windows, was fabricated based on dye-sensitized solar cells using photochromic spiropyran derivatives SIBT as photosensitizers. SPV devices have self-regulated power conversion efficiency (PCE) and light transmission responding to the incident spectra due to the photoisomerization of SIBT. SIBT isomerize from closed-ring form to open-ring form under UV illumination, accompanied with enhanced visible light absorption and electron delocalization. Therefore, increased PCE and absorption in SPV devices were observed under UV treatment and the devices can be restored gradually to the initial status when kept in dark. The SPV devices have self-regulation of PCE and sunlight transmission responding to the changing sun spectra in different times of a day, providing a proper energy usage and a better sun-shading

Smart photovoltaics based on dye-sensitized solar cells using photochromic spiropyran derivatives as photosensitizers

Energy Technology Data Exchange (ETDEWEB)

Ma, Shengbo; Ting, Hungkit; Ma, Yingzhuang; Zheng, Lingling; Zhang, Miwei [State Key Laboratory for Artificial Microstructures and Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Xiao, Lixin, E-mail: zjchen@pku.edu.cn, E-mail: lxxiao@pku.edu.cn; Chen, Zhijian, E-mail: zjchen@pku.edu.cn, E-mail: lxxiao@pku.edu.cn [State Key Laboratory for Artificial Microstructures and Mesoscopic Physics, Department of Physics, Peking University, Beijing 100871 (China); Haixi Collaborative Innovation Center for New Display Devices and Systems Integration, Fuzhou University, Fuzhou 350002 (China)

2015-05-15

In this paper, smart photovoltaic (SPV) devices, integrating both functions of solar cells and smart windows, was fabricated based on dye-sensitized solar cells using photochromic spiropyran derivatives SIBT as photosensitizers. SPV devices have self-regulated power conversion efficiency (PCE) and light transmission responding to the incident spectra due to the photoisomerization of SIBT. SIBT isomerize from closed-ring form to open-ring form under UV illumination, accompanied with enhanced visible light absorption and electron delocalization. Therefore, increased PCE and absorption in SPV devices were observed under UV treatment and the devices can be restored gradually to the initial status when kept in dark. The SPV devices have self-regulation of PCE and sunlight transmission responding to the changing sun spectra in different times of a day, providing a proper energy usage and a better sun-shading.

NMR-Based Identification of Metabolites in Polar and Non-Polar Extracts of Avian Liver.

Science.gov (United States)

Fathi, Fariba; Brun, Antonio; Rott, Katherine H; Falco Cobra, Paulo; Tonelli, Marco; Eghbalnia, Hamid R; Caviedes-Vidal, Enrique; Karasov, William H; Markley, John L

2017-11-16

Metabolites present in liver provide important clues regarding the physiological state of an organism. The aim of this work was to evaluate a protocol for high-throughput NMR-based analysis of polar and non-polar metabolites from a small quantity of liver tissue. We extracted the tissue with a methanol/chloroform/water mixture and isolated the polar metabolites from the methanol/water layer and the non-polar metabolites from the chloroform layer. Following drying, we re-solubilized the fractions for analysis with a 600 MHz NMR spectrometer equipped with a 1.7 mm cryogenic probe. In order to evaluate the feasibility of this protocol for metabolomics studies, we analyzed the metabolic profile of livers from house sparrow ( Passer domesticus ) nestlings raised on two different diets: livers from 10 nestlings raised on a high protein diet (HP) for 4 d and livers from 12 nestlings raised on the HP diet for 3 d and then switched to a high carbohydrate diet (HC) for 1 d. The protocol enabled the detection of 52 polar and nine non-polar metabolites in ¹H NMR spectra of the extracts. We analyzed the lipophilic metabolites by one-way ANOVA to assess statistically significant concentration differences between the two groups. The results of our studies demonstrate that the protocol described here can be exploited for high-throughput screening of small quantities of liver tissue (approx. 100 mg wet mass) obtainable from small animals.

Polar order in nanostructured organic materials

Science.gov (United States)

Sayar, M.; Olvera de la Cruz, M.; Stupp, S. I.

2003-02-01

Achiral multi-block liquid crystals are not expected to form polar domains. Recently, however, films of nanoaggregates formed by multi-block rodcoil molecules were identified as the first example of achiral single-component materials with macroscopic polar properties. By solving an Ising-like model with dipolar and asymmetric short-range interactions, we show here that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a approx 8 nm), leading to a reduction in the repulsive dipolar interactions which oppose polar order within layers. In finite-thickness films of nanostructures, this effect enables the formation of polar domains. We compute exactly the energies of the possible structures consistent with the experiments as a function of film thickness at zero temperature (T). We also provide Monte Carlo simulations at non-zero T for a disordered hexagonal lattice that resembles the smectic-like packing in these nanofilms.

Polarization effects on the electric properties of urea and thiourea molecules in solid phase

International Nuclear Information System (INIS)

Santos, O. L.; Fonseca, T. L.; Sabino, J. R.; Georg, H. C.; Castro, M. A.

2015-01-01

We present theoretical results for the dipole moment, linear polarizability, and first hyperpolarizability of the urea and thiourea molecules in solid phase. The in-crystal electric properties were determined by applying a supermolecule approach in combination with an iterative electrostatic scheme, in which the surrounding molecules are represented by point charges. It is found for both urea and thiourea molecules that the influence of the polarization effects is mild for the linear polarizability, but it is marked for the dipole moment and first hyperpolarizability. The replacement of oxygen atoms by sulfur atoms increases, in general, the electric responses. Our second-order Møller–Plesset perturbation theory based iterative scheme predicts for the in-crystal dipole moment of urea and thiourea the values of 7.54 and 9.19 D which are, respectively, increased by 61% and 58%, in comparison with the corresponding isolated values. The result for urea is in agreement with the available experimental result of 6.56 D. In addition, we present an estimate of macroscopic quantities considering explicit unit cells of urea and thiourea crystals including environment polarization effects. These supermolecule calculations take into account partially the exchange and dispersion effects. The results illustrate the role played by the electrostatic interactions on the static second-order nonlinear susceptibility of the urea crystal

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

International Nuclear Information System (INIS)

Davies, M. J.; Dawson, P.; Hammersley, S.; Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A.

2016-01-01

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10 11  cm −2  pulse −1 per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

Experimental and theoretical data on ion-molecule-reactions relevant for plasma modelling

International Nuclear Information System (INIS)

Hansel, A.; Praxmarer, C.; Lindinger, W.

1995-01-01

Despite the fact that the rate coefficients of hundreds of ion-molecule-reactions have been published in the literature, much more data are required for the purpose of plasma modelling. Many ion molecule reactions have rate coefficients, k, as large as the collisional limiting value, k c , i.e. the rate coefficients k c at which ion-neutral collision complexes are formed are close to the actual rate coefficients observed. In the case of the interaction of an ion with a non polar molecule, k c , is determined by the Langevin limiting value k L being typically 10 -9 cm 3 s -1 . However, when ions react with polar molecules k c is predicted by the average dipole orientation (ADO) theory. These classical theories yield accurate rate coefficients at thermal and elevated temperatures for practically all proton transfer as well as for many charge transfer and hydrogen abstraction reactions. The agreement between experimental and calculated values is usually better than ±20% and in the case of proton transfer reactions the agreement seems to be even better as recent investigations have shown. Even the interaction of the permanent ion dipole with non polar and polar neutrals can be taken into account to predict reaction rate coefficients as has been shown very recently in reactions of the highly polar ion ArH 3 + with various neutrals

Comparative studies of efficiency droop in polar and non-polar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Davies, M. J.; Dawson, P.; Hammersley, S. [School of Physics and Astronomy, Photon Science Institute, University of Manchester, M13 9PL Manchester (United Kingdom); Zhu, T.; Kappers, M. J.; Humphreys, C. J.; Oliver, R. A. [Department of Material Science and Metallurgy, 27 Charles Babbage Road, University of Cambridge, Cambridge CB3 0FS (United Kingdom)

2016-06-20

We report on a comparative study of efficiency droop in polar and non-polar InGaN quantum well structures at T = 10 K. To ensure that the experiments were carried out with identical carrier densities for any particular excitation power density, we used laser pulses of duration ∼100 fs at a repetition rate of 400 kHz. For both types of structures, efficiency droop was observed to occur for carrier densities of above 7 × 10{sup 11 }cm{sup −2 }pulse{sup −1} per quantum well; also both structures exhibited similar spectral broadening in the droop regime. These results show that efficiency droop is intrinsic in InGaN quantum wells, whether polar or non-polar, and is a function, specifically, of carrier density.

Design technique for all-dielectric non-polarizing beam splitter plate

Science.gov (United States)

Rizea, A.

2012-03-01

There are many situations when, for the proper working, an opto-electronic device requiring optical components does not change the polarization state of light after a reflection, splitting or filtering. In this paper, a design for a non-polarizing beam splitter plate is proposed. Based on certain optical properties of homogeneous dielectric materials we will establish a reliable thin film package formula, excellent for the start of optimization to obtain a 20-nm bandwidth non-polarizing beam splitter.

Optically stimulated slowing of polar heavy-atom molecules with a constant beat phase

Science.gov (United States)

Yin, Yanning; Xu, Supeng; Xia, Meng; Xia, Yong; Yin, Jianping

2018-04-01

Polar heavy-atom molecules have been well recognized as promising candidates for precision measurements and tests of fundamental physics. A much slower molecular beam to increase the interaction time should lead to a more sensitive measurement. Here we theoretically demonstrate the possibility of the stimulated longitudinal slowing of heavy-atom molecules by the coherent optical bichromatic force with a constant beat phase. Taking the YbF meolecule as an example, we show that a rapid and short-distance deceleration of heavy molecules by a phase-compensation method is feasible with moderate conditions. A molecular beam of YbF with a forward velocity of 120 m/s can be decelerated below 10 m/s within a distance of 3.5 cm and with a laser irradiance for each traveling wave of 107.2 W/cm 2 . Our proposed slowing method could be a promising approach to break through the space constraint or the limited capture efficiency of molecules loadable into a magneto-optical trap in traditional deceleration schemes, opening the possibility for a significant improvement of the precision measurement sensitivity.

Classical study of the rovibrational dynamics of a polar diatomic molecule in static electric fields

Energy Technology Data Exchange (ETDEWEB)

Inarrea, Manuel, E-mail: manuel.inarrea@unirioja.e [Area de Fisica, Universidad de la Rioja, E-26006 Logrono (Spain); Salas, J. Pablo [Area de Fisica, Universidad de la Rioja, E-26006 Logrono (Spain); Gonzalez-Ferez, Rosario [Instituto ' Carlos I' de Fisica Teorica y Computacional, Universidad de Granada, E-18071 Granada (Spain); Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, E-18071 Granada (Spain); Schmelcher, Peter [Theoretische Chemie, Physikalisch-Chemisches Institut, D-69120 Heidelberg (Germany); Physikalisches Institut, Universitaet Heidelberg, D-69120 Heidelberg (Germany)

2010-01-04

We study the classical dynamics of a polar diatomic molecule in the presence of a strong static homogeneous electric field. Our full rovibrational investigation includes the interaction with the field due to the permanent electric dipole moment and the polarizability of the molecule. Using the LiCs molecule as a prototype, we explore the stability of the equilibrium points and their bifurcations as the field strength is increased. The phase space structure and its dependence on the energy and field strength are analyzed in detail. We demonstrate that depending on the field strength and on the energy, the phase space is characterized either by regular features or by small stochastic layers of chaotic motion.

Polarization in free electron lasers

Energy Technology Data Exchange (ETDEWEB)

Papadichev, V.A. [Lebedev Physical Institute, Moscow (Russian Federation)

1995-12-31

Polarization of electromagnetic radiation is required very often in numerous scientific and industrial applications: studying of crystals, molecules and intermolecular interaction high-temperature superconductivity, semiconductors and their transitions, polymers and liquid crystals. Using polarized radiation allows to obtain important data (otherwise inaccessible) in astrophysics, meteorology and oceanology. It is promising in chemistry and biology for selective influence on definite parts of molecules in chain synthesis reactions, precise control of various processes at cell and subcell levels, genetic engineering etc. Though polarization methods are well elaborated in optics, they can fail in far-infrared, vacuum-ultraviolet and X-ray regions because of lack of suitable non-absorbing materials and damaging of optical elements at high specific power levels. Therefore, it is of some interest to analyse polarization of untreated FEL radiation obtained with various types of undulators, with and without axial magnetic field. The polarization is studied using solutions for electron orbits in various cases: plane or helical undulator with or without axial magnetic field, two plane undulators, a combination of right- and left-handed helical undulators with equal periods, but different field amplitudes. Some examples of how a desired polarization (elliptical circular or linear) can be obtained or changed quickly, which is necessary in many experiments, are given.

The influence of polarity of additive molecules on micelle structures of polystyrene-block-poly(4-vinylpyridine) in the fabrication of nano-porous templates.

Science.gov (United States)

Chua, Kee Sze; Koh, Ai Peng; Lam, Yeng Ming

2010-11-01

Block copolymers are useful for in situ synthesis of nanoparticles as well as producing nanoporous templates. As such, the effects of precursors on the block copolymer micelle structure is important. In this study, we investigate the effects of polarity of molecules introduced into block copolymer micelle cores on the micelle structure. The molecular dipole moment of the additive molecules has been evaluated and their effects on the block copolymer micelles investigated using light scattering spectroscopy, small-angle X-ray scattering, transmission electron microscopy and atomic force microscopy. The molecule with the largest dipole moment resulted in spherical structures with a polydispersity of less than 0.06 in a fully translational diffusion system. Surprisingly, the less polar additive molecules produced elongated micelles and the aspect ratio increases with decreasing polarity. The change in structure from spherical to elongated structure was attributed to P4VP chain extension, where compounds with polarity most similar to P4VP induce the most chain extension. The second virial coefficients of the solutions with elongated micelles are lower than that for spherical micelle systems by up to one order in magnitude, indicating a strong tendency for micelles to coalesce. On rinsing the spin-cast films, pores were obtained from spherical micelles and ridges from elongated micelles, suggesting a viable alternative for morphology modification using mild conditions where external annealing treatments to the film are not preferred. The knowledge of polarity effects of additive molecules on micelle structure has wider implications for supramolecular block copolymer systems where, depending on the application requirements, changes to the shape of the micelle structure can be induced or avoided. Copyright 2010 Elsevier Inc. All rights reserved.

Non-volatile polarization switch of magnetic domain wall velocity

Energy Technology Data Exchange (ETDEWEB)

Huang, Z.; Stolichnov, I.; Setter, N. [Ceramics Laboratory, EPFL-Swiss Federal Institute of Technology, Lausanne 1015 (Switzerland); Bernand-Mantel, A.; Schott, Marine; Pizzini, S.; Ranno, L. [University of Grenoble Alpes, Institut Néel, F-38042 Grenoble (France); CNRS, Institut Néel, F-38042 Grenoble (France); Auffret, S.; Gaudin, G. [SPINTEC, UMR-8191, CEA/CNRS/UJF/GINP, INAC, F-38054 Grenoble (France)

2015-12-21

Controlled propagation speed of individual magnetic domains in metal channels at the room temperature is obtained via the non-volatile field effect associated with the switchable polarization of P(VDF-TrFE) (polyvinylidene fluoride-trifluoroethylene) ferroelectric polymer. Polarization domains directly written using conducting atomic force microscope probe locally accelerate/decelerate the magnetic domains in the 0.6 nm thick Co film. The change of the magnetic domain wall velocity is consistent with the magnetic anisotropy energy modulation through the polarization upward/downward orientation. Excellent retention is observed. The demonstrated local non-destructive and reversible change of magnetic properties via rewritable patterning of ferroelectric domains could be attractive for exploring the ultimate limit of miniaturization in devices based on ferromagnetic/ferroelectric bilayers.

Influence of vibrations and rotations of diatomic molecules on their physical properties: II. Refractive index, reactivity and diffusion coefficients

International Nuclear Information System (INIS)

Sharipov, Alexander S; Loukhovitski, Boris I; Starik, Alexander M

2016-01-01

The influence of the excitation of vibrational and rotational states of diatomic molecules (H 2 , N 2 , O 2 , NO, OH, CO, CH, HF and HCl) on refractive index, reactivity and transport coefficients was analyzed by using ab initio calculated data on the effective state-specific dipole moment and static polarizability obtained in the preceding paper of the present series. It has been revealed that, for non-polar molecules, the excitation both of vibrational and rotational degrees of freedom increases the averaged polarizability and, as a consequence, the refractive index. Meanwhile, for polar molecules, the effect of molecule excitation is more complex: it can either increase or decrease the refractive index. It was also shown that the excitation of molecules slightly influences the rate constants of barrierless chemical reactions between neutral particles; whereas, for ion–molecule reactions, this effect can be more pronounced. Analysis of the variation of diffusion coefficients, taking into account the effect of molecule excitation both on the collision diameter and on the well depth of intermolecular potential, exhibited that, for non-polar molecules, the effect associated with the change of collision diameter prevails. However, for polar molecules, the effect of the excitation of vibrational states on the well depth of intermolecular potential can compensate or even exceed the decrease of diffusion coefficient due to the averaged collision diameter rise. (paper)

A density-dependent switch drives stochastic clustering and polarization of signaling molecules.

Directory of Open Access Journals (Sweden)

Alexandra Jilkine

2011-11-01

Full Text Available Positive feedback plays a key role in the ability of signaling molecules to form highly localized clusters in the membrane or cytosol of cells. Such clustering can occur in the absence of localizing mechanisms such as pre-existing spatial cues, diffusional barriers, or molecular cross-linking. What prevents positive feedback from amplifying inevitable biological noise when an un-clustered "off" state is desired? And, what limits the spread of clusters when an "on" state is desired? Here, we show that a minimal positive feedback circuit provides the general principle for both suppressing and amplifying noise: below a critical density of signaling molecules, clustering switches off; above this threshold, highly localized clusters are recurrently generated. Clustering occurs only in the stochastic regime, suggesting that finite sizes of molecular populations cannot be ignored in signal transduction networks. The emergence of a dominant cluster for finite numbers of molecules is partly a phenomenon of random sampling, analogous to the fixation or loss of neutral mutations in finite populations. We refer to our model as the "neutral drift polarity model." Regulating the density of signaling molecules provides a simple mechanism for a positive feedback circuit to robustly switch between clustered and un-clustered states. The intrinsic ability of positive feedback both to create and suppress clustering is a general mechanism that could operate within diverse biological networks to create dynamic spatial organization.

Measuring polarization dependent dispersion of non-polarizing beam splitter cubes with spectrally resolved white light interferometry

Science.gov (United States)

Csonti, K.; Hanyecz, V.; Mészáros, G.; Kovács, A. P.

2017-06-01

In this work we have measured the group-delay dispersion of an empty Michelson interferometer for s- and p-polarized light beams applying two different non-polarizing beam splitter cubes. The interference pattern appearing at the output of the interferometer was resolved with two different spectrometers. It was found that the group-delay dispersion of the empty interferometer depended on the polarization directions in case of both beam splitter cubes. The results were checked by inserting a glass plate in the sample arm of the interferometer and similar difference was obtained for the two polarization directions. These results show that to reach high precision, linearly polarized white light beam should be used and the residual dispersion of the empty interferometer should be measured at both polarization directions.

Beam broadening of polar molecules and clusters in deflection experiments.

Science.gov (United States)

Bulthuis, J; Kresin, V V

2012-01-07

A beam of rotating dipolar particles (molecules or clusters) will broaden when passed through an electric or magnetic field gradient region. This broadening, which is a common experimental observable, can be expressed in terms of the variance of the distribution of the resulting polarization orientation (the direction cosine). Here, the broadening for symmetric-top and linear rotors is discussed. These two types of rotors have qualitatively different low-field orientation distribution functions, but behave similarly in a strong field. While analytical expressions for the polarization variance can be derived from first-order perturbation theory, for experimental guidance it is important to identify the applicability and limitations of these expressions, and the general dependence of the broadening on the experimental parameters. For this purpose, the analytical results are compared with the full diagonalization of the rotational Stark-effect matrices. Conveniently for experimental estimations, it is found that for symmetric tops, the dependence of the broadening parameter on the rotational constant, the axial ratio, and the field strength remains similar to the analytical expression even outside of the perturbative regime. Also, it is observed that the shape envelope, the centroid, and the width of the orientation distribution function for a symmetric top are quite insensitive to the value of its rotational constant (except at low rotational temperatures).

Fluorescence Polarization Screening Assays for Small Molecule Allosteric Modulators of ABL Kinase Function.

Science.gov (United States)

Grover, Prerna; Shi, Haibin; Baumgartner, Matthew; Camacho, Carlos J; Smithgall, Thomas E

2015-01-01

The ABL protein-tyrosine kinase regulates intracellular signaling pathways controlling diverse cellular processes and contributes to several forms of cancer. The kinase activity of ABL is repressed by intramolecular interactions involving its regulatory Ncap, SH3 and SH2 domains. Small molecules that allosterically regulate ABL kinase activity through its non-catalytic domains may represent selective probes of ABL function. Here we report a screening assay for chemical modulators of ABL kinase activity that target the regulatory interaction of the SH3 domain with the SH2-kinase linker. This fluorescence polarization (FP) assay is based on a purified recombinant ABL protein consisting of the N-cap, SH3 and SH2 domains plus the SH2-kinase linker (N32L protein) and a short fluorescein-labeled probe peptide that binds to the SH3 domain. In assay development experiments, we found that the probe peptide binds to the recombinant ABL N32L protein in vitro, producing a robust FP signal that can be competed with an excess of unlabeled peptide. The FP signal is not observed with control N32L proteins bearing either an inactivating mutation in the SH3 domain or enhanced SH3:linker interaction. A pilot screen of 1200 FDA-approved drugs identified four compounds that specifically reduced the FP signal by at least three standard deviations from the untreated controls. Secondary assays showed that one of these hit compounds, the antithrombotic drug dipyridamole, enhances ABL kinase activity in vitro to a greater extent than the previously described ABL agonist, DPH. Docking studies predicted that this compound binds to a pocket formed at the interface of the SH3 domain and the linker, suggesting that it activates ABL by disrupting this regulatory interaction. These results show that screening assays based on the non-catalytic domains of ABL can identify allosteric small molecule regulators of kinase function, providing a new approach to selective drug discovery for this important

Fluorescence Polarization Screening Assays for Small Molecule Allosteric Modulators of ABL Kinase Function.

Directory of Open Access Journals (Sweden)

Prerna Grover

Full Text Available The ABL protein-tyrosine kinase regulates intracellular signaling pathways controlling diverse cellular processes and contributes to several forms of cancer. The kinase activity of ABL is repressed by intramolecular interactions involving its regulatory Ncap, SH3 and SH2 domains. Small molecules that allosterically regulate ABL kinase activity through its non-catalytic domains may represent selective probes of ABL function. Here we report a screening assay for chemical modulators of ABL kinase activity that target the regulatory interaction of the SH3 domain with the SH2-kinase linker. This fluorescence polarization (FP assay is based on a purified recombinant ABL protein consisting of the N-cap, SH3 and SH2 domains plus the SH2-kinase linker (N32L protein and a short fluorescein-labeled probe peptide that binds to the SH3 domain. In assay development experiments, we found that the probe peptide binds to the recombinant ABL N32L protein in vitro, producing a robust FP signal that can be competed with an excess of unlabeled peptide. The FP signal is not observed with control N32L proteins bearing either an inactivating mutation in the SH3 domain or enhanced SH3:linker interaction. A pilot screen of 1200 FDA-approved drugs identified four compounds that specifically reduced the FP signal by at least three standard deviations from the untreated controls. Secondary assays showed that one of these hit compounds, the antithrombotic drug dipyridamole, enhances ABL kinase activity in vitro to a greater extent than the previously described ABL agonist, DPH. Docking studies predicted that this compound binds to a pocket formed at the interface of the SH3 domain and the linker, suggesting that it activates ABL by disrupting this regulatory interaction. These results show that screening assays based on the non-catalytic domains of ABL can identify allosteric small molecule regulators of kinase function, providing a new approach to selective drug discovery

Globally Polarized Quark-gluon Plasma in Non-central A+ACollisions

Energy Technology Data Exchange (ETDEWEB)

Liang, Zuo-tang; Wang, Xin-Nian

2004-10-01

Produced partons have large local relative orbital angular momentum along the direction opposite to the reaction plane in the early stage of non-central heavy-ion collisions. Parton scattering is shown to polarize quarks along the same direction due to spin-orbital coupling.Such global quark polarization will lead to many observable consequences,such as left-right asymmetry of hadron spectra, global transverse polarization of thermal photons, dileptons and hadrons. Hadrons from the decay of polarized resonances will have azimuthal asymmetry similar to the elliptic flow. Global hyperon polarization is predicted with indifferent hadronization scenarios and can be easily tested.

Photoinduced electric currents in ring-shaped molecules by circularly polarized laser pulses

International Nuclear Information System (INIS)

Nobusada, Katsuyuki; Yabana, Kazuhiro

2007-01-01

We have theoretically demonstrated that circularly polarized laser pulses induce electric currents and magnetic moments in ring-shaped molecules Na 10 and benzene. The time-dependent adiabatic local density approximation is employed for this purpose, solving the time-dependent Kohn-Sham equation in real space and real time. It has been found that the electric currents are induced efficiently and persist continuously even after the laser pulses were switched off provided the frequency of the applied laser pulse is in tune with the excitation energy of the electronic excited state with the dipole strength for each molecular system. The electric currents are definitely revealed to be a second-order nonlinear optical response to the magnitude of the electric field. The magnetic dipole moments inevitably accompany the ring currents, so that the molecules are magnetized. The production of the electric currents and the magnetic moments in the present procedure is found to be much more efficient than that utilizing static magnetic fields

Multiorbital effects in strong-field ionization and dissociation of aligned polar molecules CH3I and CH3Br

Science.gov (United States)

Luo, Sizuo; Zhou, Shushan; Hu, Wenhui; Li, Xiaokai; Ma, Pan; Yu, Jiaqi; Zhu, Ruihan; Wang, Chuncheng; Liu, Fuchun; Yan, Bing; Liu, Aihua; Yang, Yujun; Guo, Fuming; Ding, Dajun

2017-12-01

Controlling the molecular axis offers additional ways to study molecular ionization and dissociation in strong laser fields. We measure the ionization and dissociation yields of aligned polar CH3X (X =I , Br) molecules in a linearly polarized femtosecond laser field. The current data show that maximum ionization occurs when the laser polarization is perpendicular to the molecular C -X axis, and dissociation prefers to occur at the laser polarization parallel to the C -X axis. The observed angular distributions suggest that the parent ions are generated by ionization from the HOMO. The angular distribution of fragment ions indicates that dissociation occurs mainly from an ionic excited state produced by ionization from the HOMO-1.

Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

Energy Technology Data Exchange (ETDEWEB)

Goodson, Boyd McLean [Univ. of California, Berkeley, CA (United States)

1999-12-01

Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permit a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI.

Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

International Nuclear Information System (INIS)

Goodson, Boyd M.

1999-01-01

Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permit a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI

A rapid and sensitive method for the simultaneous analysis of aliphatic and polar molecules containing free carboxyl groups in plant extracts by LC-MS/MS

Directory of Open Access Journals (Sweden)

Bonaventure Gustavo

2009-11-01

Full Text Available Abstract Background Aliphatic molecules containing free carboxyl groups are important intermediates in many metabolic and signalling reactions, however, they accumulate to low levels in tissues and are not efficiently ionized by electrospray ionization (ESI compared to more polar substances. Quantification of aliphatic molecules becomes therefore difficult when small amounts of tissue are available for analysis. Traditional methods for analysis of these molecules require purification or enrichment steps, which are onerous when multiple samples need to be analyzed. In contrast to aliphatic molecules, more polar substances containing free carboxyl groups such as some phytohormones are efficiently ionized by ESI and suitable for analysis by LC-MS/MS. Thus, the development of a method with which aliphatic and polar molecules -which their unmodified forms differ dramatically in their efficiencies of ionization by ESI- can be simultaneously detected with similar sensitivities would substantially simplify the analysis of complex biological matrices. Results A simple, rapid, specific and sensitive method for the simultaneous detection and quantification of free aliphatic molecules (e.g., free fatty acids (FFA and small polar molecules (e.g., jasmonic acid (JA, salicylic acid (SA containing free carboxyl groups by direct derivatization of leaf extracts with Picolinyl reagent followed by LC-MS/MS analysis is presented. The presence of the N atom in the esterified pyridine moiety allowed the efficient ionization of 25 compounds tested irrespective of their chemical structure. The method was validated by comparing the results obtained after analysis of Nicotiana attenuata leaf material with previously described analytical methods. Conclusion The method presented was used to detect 16 compounds in leaf extracts of N. attenuata plants. Importantly, the method can be adapted based on the specific analytes of interest with the only consideration that the

Collective phenomena in a quasi-two-dimensional system of fermionic polar molecules: Band renormalization and excitons

International Nuclear Information System (INIS)

Babadi, Mehrtash; Demler, Eugene

2011-01-01

We theoretically analyze a quasi-two-dimensional system of fermionic polar molecules trapped in a harmonic transverse confining potential. The renormalized energy bands are calculated by solving the Hartree-Fock equation numerically for various trap and dipolar interaction strengths. The intersubband excitations of the system are studied in the conserving time-dependent Hartree-Fock (TDHF) approximation from the perspective of lattice modulation spectroscopy experiments. We find that the excitation spectrum consists of both intersubband particle-hole excitation continua and antibound excitons whose antibinding behavior is associated to the anisotropic nature of dipolar interactions. The excitonic modes are shown to capture the majority of the spectral weight. We evaluate the intersubband transition rates in order to investigate the nature of the excitonic modes and find that they are antibound states formed from particle-hole excitations arising from several subbands. We discuss the sum rules in the context of lattice modulation spectroscopy experiments and utilize them to check the consistency of the obtained results. Our results indicate that the excitonic effects persist for interaction strengths and temperatures accessible in the current experiments with polar molecules.

Preparation of translationally cold neutral molecules.

Science.gov (United States)

Di Domenicantonio, Giulia; Bertsche, Benjamin; Osterwalder, Andreas

2011-01-01

Efforts at EPFL to obtain translationally cold neutral molecules are described. Active deceleration of polar molecules is performed by confining the molecules in moving three-dimensional electrostatic traps, and by appropriately choosing the velocity of those traps. Alternatively, cold molecules can be obtained by velocity filtering. Here, the velocity of the molecules is not changed, but instead the cold molecules are extracted from a thermal sample by using the competition between the electrostatic force and the centrifugal force inside a bent electrostatic guide for polar molecules.

Conversion of polar and non-polar algae oil lipids to fatty acid methyl esters with solid acid catalysts--A model compound study.

Science.gov (United States)

Asikainen, Martta; Munter, Tony; Linnekoski, Juha

2015-09-01

Bio-based fuels are becoming more and more important due to the depleting fossil resources. The production of biodiesel from algae oil is challenging compared to terrestrial vegetable oils, as algae oil consists of polar fatty acids, such as phospholipids and glycolipids, as well as non-polar triglycerides and free fatty acids common in vegetable oils. It is shown that a single sulphonated solid acid catalyst can perform the esterification and transesterification reactions of both polar and non-polar lipids. In mild reaction conditions (60-70 °C) Nafion NR50 catalyst produces methyl palmitate (FAME) from the palmitic acid derivatives of di-, and tri-glyceride, free fatty acid, and phospholipid with over 80% yields, with the glycolipid derivative giving nearly 40% yields of FAME. These results demonstrate how the polar and non-polar lipid derivatives of algal oil can be utilised as feedstocks for biodiesel production with a single catalyst in one reaction step. Copyright © 2015 Elsevier Ltd. All rights reserved.

Polarized nuclear target based on parahydrogen induced polarization

OpenAIRE

Budker, D.; Ledbetter, M. P.; Appelt, S.; Bouchard, L. S.; Wojtsekhowski, B.

2012-01-01

We discuss a novel concept of a polarized nuclear target for accelerator fixed-target scattering experiments, which is based on parahydrogen induced polarization (PHIP). One may be able to reach a 33% free-proton polarization in the ethane molecule. The potential advantages of such a target include operation at zero magnetic field, fast ($\\sim$100 Hz) polarization reversal, and operation with large intensity of an electron beam.

Rotational state dependence of ion-polar molecule reactions at very low temperature

International Nuclear Information System (INIS)

Dubernet, M.L.; McCarroll, R.

1989-01-01

The adiabatic rotational state method is used to investigate the rotational state dependence of the rate coefficients for ion-polar molecule reactions in the very low temperature regime characteristic of interstellar molecular clouds. Results obtained for the systems H 3 + +HCl and H 3 + +HCN indicate that all the methods based on the adiabatic separation of the rotational and radial motion of the collision complex - adiabatic capture centrifugal sudden approximation (ACCSA), statistical adiabatic channel model, classical adiabatic invariance method - agree very satisfactorily in the low temperature limit. Discrepancies observed between some of the published data would appear to arise from numerical inaccuracies rather than from any defect of the theory. (orig.)

Effect of asymmetrical transfer coefficients of a non-polarizing beam splitter on the nonlinear error of the polarization interferometer

Science.gov (United States)

Zhao, Chen-Guang; Tan, Jiu-Bin; Liu, Tao

2010-09-01

The mechanism of a non-polarizing beam splitter (NPBS) with asymmetrical transfer coefficients causing the rotation of polarization direction is explained in principle, and the measurement nonlinear error caused by NPBS is analyzed based on Jones matrix theory. Theoretical calculations show that the nonlinear error changes periodically, and the error period and peak values increase with the deviation between transmissivities of p-polarization and s-polarization states. When the transmissivity of p-polarization is 53% and that of s-polarization is 48%, the maximum error reaches 2.7 nm. The imperfection of NPBS is one of the main error sources in simultaneous phase-shifting polarization interferometer, and its influence can not be neglected in the nanoscale ultra-precision measurement.

Photoluminescence of CdSe/ZnS/TOPO nanocrystals expanded on silica glass substrates: Adsorption and desorption effects of polar molecules on nanocrystal surfaces

International Nuclear Information System (INIS)

Oda, Masaru; Tsukamoto, Junpei; Hasegawa, Atsushi; Iwami, Noriya; Nishiura, Ken; Hagiwara, Izumi; Ando, Naohisa; Horiuchi, Hiromi; Tani, Toshiro

2006-01-01

We have investigated photoluminescence (PL) properties of CdSe/ZnS/TOPO nanocrystals (NCs) in various kinds of gases at one atmospheric pressure. Increase of PL intensity with spectral shift is observed under 488 nm cw light irradiation in all cases. Especially, the PL intensity increases more than twice after 1200 s irradiation in nitrogen gases saturated with vapor of polar molecules, such as H 2 O and NH 3 . The increased PL intensity with the spectral shift mostly recovers to its previous values when the sample is evacuated under continuous light irradiation. These results indicate that photo-adsorption of the polar molecules onto NC surfaces provides some reversible restoring functions to the PL quenching defects or trap sites on or near the surfaces. The existence of the trap sites on NC surfaces is already widely introduced for describing e.g., blinking phenomena. Assuming part of these traps being charged, we propose the photo-induced effects can be understood as charge-compensated inactivation of the trap sites due to the adsorption of the polar molecules consistently

Flotillins are involved in the polarization of primitive and mature hematopoietic cells.

Directory of Open Access Journals (Sweden)

Lawrence Rajendran

Full Text Available BACKGROUND: Migration of mature and immature leukocytes in response to chemokines is not only essential during inflammation and host defense, but also during development of the hematopoietic system. Many molecules implicated in migratory polarity show uniform cellular distribution under non-activated conditions, but acquire a polarized localization upon exposure to migratory cues. METHODOLOGY/PRINCIPAL FINDINGS: Here, we present evidence that raft-associated endocytic proteins (flotillins are pre-assembled in lymphoid, myeloid and primitive hematopoietic cells and accumulate in the uropod during migration. Furthermore, flotillins display a polarized distribution during immunological synapse formation. Employing the membrane lipid-order sensitive probe Laurdan, we show that flotillin accumulation in the immunological synapse is concomittant with membrane ordering in these regions. CONCLUSIONS: Together with the observation that flotillin polarization does not occur in other polarized cell types such as polarized epithelial cells, our results suggest a specific role for flotillins in hematopoietic cell polarization. Based on our results, we propose that in hematopoietic cells, flotillins provide intrinsic cues that govern segregation of certain microdomain-associated molecules during immune cell polarization.

Broadband non-polarizing terahertz beam splitters with variable split ratio

KAUST Repository

Wei, Minggui

2017-08-15

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Broadband non-polarizing terahertz beam splitters with variable split ratio

Science.gov (United States)

Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

2017-08-01

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Broadband non-polarizing terahertz beam splitters with variable split ratio

KAUST Repository

Wei, Minggui; Xu, Quan; Wang, Qiu; Zhang, Xueqian; Li, Yanfeng; Gu, Jianqiang; Tian, Zhen; Zhang, Xixiang; Han, Jiaguang; Zhang, Weili

2017-01-01

Seeking effective terahertz functional devices has always aroused extensive attention. Of particular interest is the terahertz beam splitter. Here, we have proposed, designed, manufactured, and tested a broadband non-polarizing terahertz beam splitter with a variable split ratio based on an all-dielectric metasurface. The metasurface was created by patterning a dielectric surface of the N-step phase gradient and etching to a few hundred micrometers. The conversion efficiency as high as 81% under the normal incidence at 0.7 THz was achieved. Meanwhile, such a splitter works well over a broad frequency range. The split ratio of the proposed design can be continuously tuned by simply shifting the metasurface, and the angle of emergences can also be easily adjusted by choosing the step of phase gradients. The proposed design is non-polarizing, and its performance is kept under different polarizations.

Observation of non-classical correlations in sequential measurements of photon polarization

International Nuclear Information System (INIS)

Suzuki, Yutaro; Iinuma, Masataka; Hofmann, Holger F

2016-01-01

A sequential measurement of two non-commuting quantum observables results in a joint probability distribution for all output combinations that can be explained in terms of an initial joint quasi-probability of the non-commuting observables, modified by the resolution errors and back-action of the initial measurement. Here, we show that the error statistics of a sequential measurement of photon polarization performed at different measurement strengths can be described consistently by an imaginary correlation between the statistics of resolution and back-action. The experimental setup was designed to realize variable strength measurements with well-controlled imaginary correlation between the statistical errors caused by the initial measurement of diagonal polarizations, followed by a precise measurement of the horizontal/vertical polarization. We perform the experimental characterization of an elliptically polarized input state and show that the same complex joint probability distribution is obtained at any measurement strength. (paper)

Interfacial B-site atomic configuration in polar (111) and non-polar (001) SrIrO3/SrTiO3 heterostructures

Science.gov (United States)

Anderson, T. J.; Zhou, H.; Xie, L.; Podkaminer, J. P.; Patzner, J. J.; Ryu, S.; Pan, X. Q.; Eom, C. B.

2017-09-01

The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111) and non-polar (001) SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111) interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001) interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111) perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

Interfacial B-site atomic configuration in polar (111 and non-polar (001 SrIrO3/SrTiO3 heterostructures

Directory of Open Access Journals (Sweden)

T. J. Anderson

2017-09-01

Full Text Available The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111 and non-polar (001 SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111 interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001 interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111 perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches.

Science.gov (United States)

Huang, Jing; Mei, Ye; König, Gerhard; Simmonett, Andrew C; Pickard, Frank C; Wu, Qin; Wang, Lee-Ping; MacKerell, Alexander D; Brooks, Bernard R; Shao, Yihan

2017-02-14

In this work, we report two polarizable molecular mechanics (polMM) force field models for estimating the polarization energy in hybrid quantum mechanical molecular mechanical (QM/MM) calculations. These two models, named the potential of atomic charges (PAC) and potential of atomic dipoles (PAD), are formulated from the ab initio quantum mechanical (QM) response kernels for the prediction of the QM density response to an external molecular mechanical (MM) environment (as described by external point charges). The PAC model is similar to fluctuating charge (FQ) models because the energy depends on external electrostatic potential values at QM atomic sites; the PAD energy depends on external electrostatic field values at QM atomic sites, resembling induced dipole (ID) models. To demonstrate their uses, we apply the PAC and PAD models to 12 small molecules, which are solvated by TIP3P water. The PAC model reproduces the QM/MM polarization energy with a R 2 value of 0.71 for aniline (in 10,000 TIP3P water configurations) and 0.87 or higher for other 11 solute molecules, while the PAD model has a much better performance with R 2 values of 0.98 or higher. The PAC model reproduces reference QM/MM hydration free energies for 12 solute molecules with a RMSD of 0.59 kcal/mol. The PAD model is even more accurate, with a much smaller RMSD of 0.12 kcal/mol, with respect to the reference. This suggests that polarization effects, including both local charge distortion and intramolecular charge transfer, can be well captured by induced dipole type models with proper parametrization.

Parity non-conservation in the capture of polarized thermal neutrons

DEFF Research Database (Denmark)

Warming, Inge Elisabeth

1969-01-01

The asymmetry in the intensity of γ-radiation following the capture of polarized thermal neutrons in 113Cd has been measured with Ge(Li) detectors. The result, A = (−0.6±1.8)×10−4, like that previously reported [1], gives no evidence for a non-zero effect.......The asymmetry in the intensity of γ-radiation following the capture of polarized thermal neutrons in 113Cd has been measured with Ge(Li) detectors. The result, A = (−0.6±1.8)×10−4, like that previously reported [1], gives no evidence for a non-zero effect....

Broadband non-polarizing beam splitter based on guided mode resonance effect

Science.gov (United States)

Ma, Jian-Yong; Xu, Cheng; Qiang, Ying-Huai; Zhu, Ya-Bo

2011-10-01

A broadband non-polarizing beam splitter (NPBS) operating in the telecommunication C+L band is designed by using the guided mode resonance effect of periodic silicon-on-insulator (SOI) elements. It is shown that this double layer SOI structure can provide ~50/50 beam ratio with the maximum divergences between reflection and transmission being less than 8% over the spectrum of 1.4 μm~1.7 μm and 1% in the telecommunication band for both TE and TM polarizations. The physical basis of this broadband non-polarizing property is on the simultaneous excitation of the TE and TM strong modulation waveguide modes near the designed spectrum band. Meanwhile, the electric field distributions for both TE and TM polarizations verify the resonant origin of spectrum in the periodic SOI structure. Furthermore, it is demonstrated with our calculations that the beam splitter proposed here is tolerant to the deviations of incident angle and structure parameters, which make it very easy to be fabricated with current IC technology.

Functional Fixedness and Functional Reduction as Common Sense Reasonings in Chemical Equilibrium and in Geometry and Polarity of Molecules.

Science.gov (United States)

Furio, C.; Calatayud, M. L.; Barcenas, S. L.; Padilla, O. M.

2000-01-01

Focuses on learning difficulties in procedural knowledge, and assesses the procedural difficulties of grade 12 and first- and third-year university students based on common sense reasoning in two areas of chemistry--chemical equilibrium and geometry, and polarity of molecules. (Contains 55 references.) (Author/YDS)

Tailoring polarization of electromagnetically induced transparency based on non-centrosymmetric metasurfaces

Science.gov (United States)

Li, Hai-ming; Xue, Feng

2017-09-01

In this manuscript, tailoring polarization of analogy of electromagnetically induced transparency (EIT-like) based on non-centrosymmetric metasurfaces has been numerically and experimentally demonstrated. The EIT-like metamaterial is composed of a rectangle ring and two cut wires. The rectangle ring and the cut wire are chosen as the bright mode and the quasi-dark mode, respectively. Under the incident electromagnetic wave excitation, a polarization insensitive EIT-like transmission window can be observed at specific polarization angles. Within the transmission window, the phase steeply changes, which leads to the large group index. Tailoring polarization of EIT-like metamaterial with large group index at specific polarization angles may have potential application in slow light devices.

Solvation thermodynamics and heat capacity of polar and charged solutes in water

Science.gov (United States)

Sedlmeier, Felix; Netz, Roland R.

2013-03-01

The solvation thermodynamics and in particular the solvation heat capacity of polar and charged solutes in water is studied using atomistic molecular dynamics simulations. As ionic solutes we consider a F- and a Na+ ion, as an example for a polar molecule with vanishing net charge we take a SPC/E water molecule. The partial charges of all three solutes are varied in a wide range by a scaling factor. Using a recently introduced method for the accurate determination of the solvation free energy of polar solutes, we determine the free energy, entropy, enthalpy, and heat capacity of the three different solutes as a function of temperature and partial solute charge. We find that the sum of the solvation heat capacities of the Na+ and F- ions is negative, in agreement with experimental observations, but our results uncover a pronounced difference in the heat capacity between positively and negatively charged groups. While the solvation heat capacity ΔCp stays positive and even increases slightly upon charging the Na+ ion, it decreases upon charging the F- ion and becomes negative beyond an ion charge of q = -0.3e. On the other hand, the heat capacity of the overall charge-neutral polar solute derived from a SPC/E water molecule is positive for all charge scaling factors considered by us. This means that the heat capacity of a wide class of polar solutes with vanishing net charge is positive. The common ascription of negative heat capacities to polar chemical groups might arise from the neglect of non-additive interaction effects between polar and apolar groups. The reason behind this non-additivity is suggested to be related to the second solvation shell that significantly affects the solvation thermodynamics and due to its large spatial extent induces quite long-ranged interactions between solvated molecular parts and groups.

Chemical characterization by GC-MS and phytotoxic potential of non-polar and polar fractions of seeds of Dioteryx odorata (Aubl. Willd. from Venezuelan regions

Directory of Open Access Journals (Sweden)

Alberto de J. Oliveros-Bastidas

2013-01-01

Full Text Available Dipteryx odorata (Aubl. Willd. is a tall arboreal species native to Central and Northern South America. This paper describes the chemical characterization and phytotoxic potential of polar and non-polar extracts from D. odorata seeds. Structural determinations were accomplished by chemical derivatization and analyzed by GC/MS. The chemical composition of the non-polar fraction (hexane and dichloromethane presented fatty acids as major constituent. Medium polar and polar fractions (ethyl acetate and ethanol: water contained carboxylic acid and high 6,7-Dyhidroxycoumarin-β-D-glucopyranoside content, not previously reported for seeds of D. odorata. Extracts showed a significant level of phytotoxic activity, correlated to the content of coumarin derivatives, predominantly in the polar fraction.

The influence of non-polar lipids on tear film dynamics

KAUST Repository

Bruna, M.; Breward, C.  J.  W.

2014-01-01

© 2014 Cambridge University Press. In this paper we examine the effect that physiological non-polar lipids, residing on the surface of an aqueous tear film, have on the film evolution. In our model we track the evolution of the thickness of the non

Compensation of non-ideal beam splitter polarization distortion effect in Michelson interferometer

Science.gov (United States)

Liu, Yeng-Cheng; Lo, Yu-Lung; Liao, Chia-Chi

2016-02-01

A composite optical structure consisting of two quarter-wave plates and a single half-wave plate is proposed for compensating for the polarization distortion induced by a non-ideal beam splitter in a Michelson interferometer. In the proposed approach, the optimal orientations of the optical components within the polarization compensator are determined using a genetic algorithm (GA) such that the beam splitter can be treated as a free-space medium and modeled using a unit Mueller matrix accordingly. Two implementations of the proposed polarization controller are presented. In the first case, the compensator is placed in the output arm of Michelson interferometer such that the state of polarization of the interfered output light is equal to that of the input light. However, in this configuration, the polarization effects induced by the beam splitter in the two arms of the interferometer structure cannot be separately addressed. Consequently, in the second case, compensator structures are placed in the Michelson interferometer for compensation on both the scanning and reference beams. The practical feasibility of the proposed approach is introduced by considering a Mueller polarization-sensitive (PS) optical coherence tomography (OCT) structure with three polarization controllers in the input, reference and sample arms, respectively. In general, the results presented in this study show that the proposed polarization controller provides an effective and experimentally-straightforward means of compensating for the polarization distortion effects induced by the non-ideal beam splitters in Michelson interferometers and Mueller PS-OCT structures.

Dark states in spin-polarized transport through triple quantum dot molecules

Science.gov (United States)

Wrześniewski, K.; Weymann, I.

2018-02-01

We study the spin-polarized transport through a triple-quantum-dot molecule weakly coupled to ferromagnetic leads. The analysis is performed by means of the real-time diagrammatic technique, including up to the second order of perturbation expansion with respect to the tunnel coupling. The emphasis is put on the impact of dark states on spin-resolved transport characteristics. It is shown that the interplay of coherent population trapping and cotunneling processes results in a highly nontrivial behavior of the tunnel magnetoresistance, which can take negative values. Moreover, a super-Poissonian shot noise is found in transport regimes where the current is blocked by the formation of dark states, which can be additionally enhanced by spin dependence of tunneling processes, depending on the magnetic configuration of the device. The mechanisms leading to those effects are thoroughly discussed.

Exotic helium molecules; Molecules exotiques d'helium

Energy Technology Data Exchange (ETDEWEB)

Portier, M

2007-12-15

We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}P{sub 0}) molecule, or a {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 {+-} 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime {tau} = (1.4 {+-} 0.3) {mu}s is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

Broadband non-polarizing beam splitter based on guided mode resonance effect

International Nuclear Information System (INIS)

Ma Jian-Yong; Xu Cheng; Qiang Ying-Huai; Zhu Ya-Bo

2011-01-01

A broadband non-polarizing beam splitter (NPBS) operating in the telecommunication C+L band is designed by using the guided mode resonance effect of periodic silicon-on-insulator (SOI) elements. It is shown that this double layer SOI structure can provide ∼50/50 beam ratio with the maximum divergences between reflection and transmission being less than 8% over the spectrum of 1.4 μm∼1.7 μm and 1% in the telecommunication band for both TE and TM polarizations. The physical basis of this broadband non-polarizing property is on the simultaneous excitation of the TE and TM strong modulation waveguide modes near the designed spectrum band. Meanwhile, the electric field distributions for both TE and TM polarizations verify the resonant origin of spectrum in the periodic SOI structure. Furthermore, it is demonstrated with our calculations that the beam splitter proposed here is tolerant to the deviations of incident angle and structure parameters, which make it very easy to be fabricated with current IC technology. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Use of various ionization modes for the study of molecules of biological interest

International Nuclear Information System (INIS)

Forest, E.

1987-01-01

For the last ten years a revolutionary advance in mass spectrometry applied to molecules of biological interest occurred, chiefly concerning ionization with the emergence of many new modes allowing non volatile, polar or thermally labile sample analysis. Some examples of spectra obtained on high mass molecules such as vitamins, protein fragments, porphyrins (chlorophyll or hemoglobin active site), polysaccharides, are presented using some of the new modes [fr

Exotic helium molecules; Molecules exotiques d'helium

Energy Technology Data Exchange (ETDEWEB)

Portier, M

2007-12-15

We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}P{sub 0}) molecule, or a {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 {+-} 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range {sup 4}He{sub 2}(2{sup 3}S{sub 1}-2{sup 3}S{sub 1}) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime {tau} = (1.4 {+-} 0.3) {mu}s is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics.

Science.gov (United States)

Acosta, Matias; Schmitt, Ljubomira A; Cazorla, Claudio; Studer, Andrew; Zintler, Alexander; Glaum, Julia; Kleebe, Hans-Joachim; Donner, Wolfgang; Hoffman, Mark; Rödel, Jürgen; Hinterstein, Manuel

2016-07-01

Coupling of order parameters provides a means to tune functionality in advanced materials including multiferroics, superconductors, and ionic conductors. We demonstrate that the response of a frustrated ferroelectric state leads to coupling between order parameters under electric field depending on grain orientation. The strain of grains oriented along a specific crystallographic direction, 〈h00〉, is caused by converse piezoelectricity originating from a ferrodistortive tetragonal phase. For 〈hhh〉 oriented grains, the strain results from converse piezoelectricity and rotostriction, as indicated by an antiferrodistortive instability that promotes octahedral tilting in a rhombohedral phase. Both strain mechanisms combined lead to a colossal local strain of (2.4 ± 0.1) % and indicate coupling between oxygen octahedral tilting and polarization, here termed "rotopolarization". These findings were confirmed with electromechanical experiments, in situ neutron diffraction, and in situ transmission electron microscopy in 0.75Bi1/2Na1/2TiO3-0.25SrTiO3. This work demonstrates that polar and non-polar instabilities can cooperate to provide colossal functional responses.

Polarization Sensitive Coherent Raman Measurements of DCVJ

Science.gov (United States)

Anderson, Josiah; Cooper, Nathan; Lawhead, Carlos; Shiver, Tegan; Ujj, Laszlo

2014-03-01

Coherent Raman spectroscopy which recently developed into coherent Raman microscopy has been used to produce label free imaging of thin layers of material and find the spatial distributions of certain chemicals within samples, e.g. cancer cells.(1) Not all aspects of coherent scattering have been used for imaging. Among those for example are special polarization sensitive measurements. Therefore we have investigated the properties of polarization sensitive CARS spectra of a highly fluorescent molecule, DCVJ.(2) Spectra has been recorded by using parallel polarized and perpendicular polarized excitations. A special polarization arrangement was developed to suppress the non-resonant background scattering from the sample. These results can be used to improve the imaging properties of a coherent Raman microscope in the future. This is the first time coherent Raman polarization sensitive measurements have been used to characterize the vibrational modes of DCVJ. 1: K. I. Gutkowski, et al., ``Fluorescence of dicyanovinyl julolidine in a room temperature ionic liquid '' Chemical Physics Letters 426 (2006) 329 - 333 2: Fouad El-Diasty, ``Coherent anti-Stokes Raman scattering: Spectroscopy and microscopy'' Vibrational Spectroscopy 55 (2011) 1-37

Nuclear spin polarization of targets

International Nuclear Information System (INIS)

Happer, W.

1990-01-01

Lasers can be used to produce milligrams to grams of noble gas nuclei with spin polarizations in excess of 50%. These quantities are sufficient to be very useful targets in nuclear physics experiments. Alkali-metal atoms are used to capture the angular momentum of circularly polarized laser photons, and the alkali-metal atoms transfer their angular momentum to noble gas atoms in binary or three-body collisions. Non-radiative collisions between the excited alkali atoms and molecular quenching gases are essential to avoid radiation trapping. The spin exchange can involve gas-phase van der Waals molecules, consisting of a noble gas atom and an alkali metal atom. Surface chemistry is also of great importance in determining the wall-induced relaxation rates of the noble gases

Polarization control of non-diffractive helical optical beams through subwavelength metallic apertures

International Nuclear Information System (INIS)

Lombard, E; Genet, C; Ebbesen, T W; Drezet, A

2010-01-01

We demonstrate experimentally a simple method for preparing non-diffractive vectorial optical beams that can display wave-front helicity. This method is based on space-variant modifications of the polarization of an optical beam transmitted through subwavelength annular rings perforating opaque metal films. We show how the description of the optical properties of such structures must account for the vectorial character of the polarization and how, in turn, these properties can be controlled by straightforward sequences of preparation and analysis of polarization states.

Rapid and accurate prediction and scoring of water molecules in protein binding sites.

Directory of Open Access Journals (Sweden)

Gregory A Ross

Full Text Available Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those water molecules might be displaceable. The latter is often seen as a route to optimizing affinity of potential drug candidates. Using a protocol we call WaterDock, we show that the freely available AutoDock Vina tool can be used to predict accurately the binding sites of water molecules. WaterDock was validated using data from X-ray crystallography, neutron diffraction and molecular dynamics simulations and correctly predicted 97% of the water molecules in the test set. In addition, we combined data-mining, heuristic and machine learning techniques to develop probabilistic water molecule classifiers. When applied to WaterDock predictions in the Astex Diverse Set of protein ligand complexes, we could identify whether a water molecule was conserved or displaced to an accuracy of 75%. A second model predicted whether water molecules were displaced by polar groups or by non-polar groups to an accuracy of 80%. These results should prove useful for anyone wishing to undertake rational design of new compounds where the displacement of water molecules is being considered as a route to improved affinity.

Polarization: A must for fusion

Directory of Open Access Journals (Sweden)

Didelez J.-P.

2013-11-01

Full Text Available The complete polarization of DT fuel would increase the fusion reactivity by 50% in magnetic as well as in inertial confinements. The persistence of polarization in a fusion process could be tested, using a terawatt laser hitting a polarized HD target. The polarized deuterons heated in the plasma induced by the laser can fuse producing a 3He and a neutron in the final state. The angular distribution of the emitted neutrons and the change in the corresponding total Cross Section (CS can sign the polarization persistence. The polarization of solid H2, D2 or T2 Hydrogen isotopes is very difficult. However, it has been possible to polarize HD, a hetero-molecular form of Hydrogen, by static polarization, at very low temperature and very high field. The radioactivity of DT molecules forbids there high polarization by the static method, therefore one has to develop the Dynamic Nuclear Polarization (DNP by RF transitions. The DNP of HD has been investigated in the past. The magnetic properties of HD and DT molecules are very similar, it is therefore expected that any polarization result obtained with HD could be extrapolated to DT.

Photon-assisted tunneling in a Fe-8 single-molecule magnet

OpenAIRE

Sorace, L.; Wernsdorfer, W.; Thirion, C.; Barra, A. L.; Pacchioni, M.; Mailly, D.; Barbara, B.

2003-01-01

The low temperature spin dynamics of a Fe8 Single-Molecule Magnet was studied under circularly polarized electromagnetic radiation allowing us to establish clearly photon-assisted tunneling. This effect, while linear at low power, becomes highly non-linear above a relatively low power threshold. This non-linearity is attributed to the nature of the coupling of the sample to the thermostat.These results are of great importance if such systems are to be used as quantum computers.

Quantitative characterization of non-classic polarization of cations on clay aggregate stability.

Directory of Open Access Journals (Sweden)

Feinan Hu

Full Text Available Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+ at concentrations from10-5 to 10-1 mol L-1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation-surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability.

Quantitative Characterization of Non-Classic Polarization of Cations on Clay Aggregate Stability

Science.gov (United States)

Hu, Feinan; Li, Hang; Liu, Xinmin; Li, Song; Ding, Wuquan; Xu, Chenyang; Li, Yue; Zhu, Longhui

2015-01-01

Soil particle interactions are strongly influenced by the concentration, valence and ion species and the pH of the bulk solution, which will also affect aggregate stability and particle transport. In this study, we investigated clay aggregate stability in the presence of different alkali ions (Li+, Na+, K+, and Cs+) at concentrations from10−5 to 10−1 mol L−1. Strong specific ion effects on clay aggregate stability were observed, and showed the order Cs+>K+>Na+>Li+. We found that it was not the effects of ion size, hydration, and dispersion forces in the cation–surface interactions but strong non-classic polarization of adsorbed cations that resulted in these specific effects. In this study, the non-classic dipole moments of each cation species resulting from the non-classic polarization were estimated. By comparing non-classic dipole moments with classic values, the observed dipole moments of adsorbed cations were up to 104 times larger than the classic values for the same cation. The observed non-classic dipole moments sharply increased with decreasing electrolyte concentration. We conclude that strong non-classic polarization could significantly suppress the thickness of the diffuse layer, thereby weakening the electric field near the clay surface and resulting in improved clay aggregate stability. Even though we only demonstrated specific ion effects on aggregate stability with several alkali ions, our results indicate that these effects could be universally important in soil aggregate stability. PMID:25874864

IMPROVED SIMULATION OF NON-GAUSSIAN TEMPERATURE AND POLARIZATION COSMIC MICROWAVE BACKGROUND MAPS

International Nuclear Information System (INIS)

Elsner, Franz; Wandelt, Benjamin D.

2009-01-01

We describe an algorithm to generate temperature and polarization maps of the cosmic microwave background (CMB) radiation containing non-Gaussianity of arbitrary local type. We apply an optimized quadrature scheme that allows us to predict and control integration accuracy, speed up the calculations, and reduce memory consumption by an order of magnitude. We generate 1000 non-Gaussian CMB temperature and polarization maps up to a multipole moment of l max = 1024. We validate the method and code using the power spectrum and the fast cubic (bispectrum) estimator and find consistent results. The simulations are provided to the community.

Polar and non-polar organic aerosols from large-scale agricultural-waste burning emissions in Northern India: Implications to organic mass-to-organic carbon ratio.

Science.gov (United States)

Rajput, Prashant; Sarin, M M

2014-05-01

This study focuses on characteristics of organic aerosols (polar and non-polar) and total organic mass-to-organic carbon ratio (OM/OC) from post-harvest agricultural-waste (paddy- and wheat-residue) burning emissions in Northern India. Aerosol samples from an upwind location (Patiala: 30.2°N, 76.3°E) in the Indo-Gangetic Plain were analyzed for non-polar and polar fractions of organic carbon (OC1 and OC2) and their respective mass (OM1 and OM2). On average, polar organic aerosols (OM2) contribute nearly 85% of the total organic mass (OM) from the paddy- and wheat-residue burning emissions. The water-soluble-OC (WSOC) to OC2 ratio, within the analytical uncertainty, is close to 1 from both paddy- and wheat-residue burning emissions. However, temporal variability and relatively low WSOC/OC2 ratio (Av: 0.67±0.06) is attributed to high moisture content and poor combustion efficiency during paddy-residue burning, indicating significant contribution (∼30%) of aromatic carbon to OC2. The OM/OC ratio for non-polar (OM1/OC1∼1.2) and polar organic aerosols (OM2/OC2∼2.2), hitherto unknown for open agricultural-waste burning emissions, is documented in this study. The total OM/OC ratio is nearly identical, 1.9±0.2 and 1.8±0.2, from paddy- and wheat-residue burning emissions. Copyright © 2013 Elsevier Ltd. All rights reserved.

Interfacial polarization phenomena in organic molecular films

International Nuclear Information System (INIS)

Iwamoto, Mitsumasa; Manaka, Takaaki

2006-01-01

Electrostatic phenomena occurring at the interface between metal/organic and organic/organic materials are discussed from the viewpoint of dielectrics physics. Focusing on two important origins of surface polarization phenomena, orientational ordering of polar molecules and displacement of excess charges at the interface, surface polarization phenomena of organic thin films are discussed. To define the orientational order of polar molecules, orientational order parameters are introduced, and surface polarization due to the alignment of dipoles is expressed. The generation of Maxwell displacement current (MDC) and optical second harmonic generation (SHG) that are specific for surface organic monomolecular films are discussed, and some experimental evidence are shown. As an extension of the concept of surface Fermi level introduced to discuss the electrostatic phenomena due to electron transfer at the interface between metal-organic insulators, the surface Fermi level is extended to the discussion on the electrostatic phenomena of organic semiconductor materials on metals. In this paper, some experimental evidence of surface polarization originating from polar molecules and displacement of excess charges are shown. After that, with consideration of these surface phenomena, single electron tunneling of organic films are briefly discussed in association with surface polarization phenomena

Polarization-Dependent Measurements of Molecular Super Rotors with Oriented Angular Momenta

Science.gov (United States)

Murray, Matthew J.; Toro, Carlos; Liu, Qingnan; Mullin, Amy S.

2014-05-01

Controlling molecular motion would enable manipulation of energy flow between molecules. Here we have used an optical centrifuge to investigate energy transfer between molecular super rotors with oriented angular momenta. The polarizable electron cloud of the molecules interacts with the electric field of linearly polarized light that angularly accelerates over the time of the optical pulse. This process drives molecules into high angular momentum states that are oriented with the optical field and have energies far from equilibrium. High resolution transient IR spectroscopy reveals the dynamics of collisional energy transfer for these super excited rotors. The results of this study leads to a more fundamental understanding of energy balance in non-equilibrium environments and the physical and chemical properties of gases in a new regime of energy states. Results will be presented for several super rotor species including carbon monoxide, carbon dioxide, and acetylene. Polarization-dependent measurements reveal the extent to which the super rotors maintain spatial orientation of high angular momentum states.

Interference, confinement and non Franck-Condon effects in photoionization of H{sub 2} molecules at high photon energy

Energy Technology Data Exchange (ETDEWEB)

Fernandez, J; MartIn, F [Departamento de Quimica, C-9, Universidad Autonoma de Madrid, 28049 Madrid (Spain); Fojon, O, E-mail: jorge@phys.au.d, E-mail: ofojon@fceia.unr.edu.a, E-mail: fernando.martin@uam.e [Institute de Fisica Rosario (CONICET-UNR), Pellegrini 250, 2000 Rosario (Argentina)

2009-11-01

We study in detail photoionization of H{sub 2} molecules by high energy photons. Bound and continuum states are accurately evaluated by using B-spline basis functions. The usual Franck-Condon behavior is not followed when the molecule is parallel to the polarization direction. The origin of this anomaly is related to interference effects. Moreover, it is shown that at these high photon energies, the nuclear asymmetry parameter exhibits a reminiscence of these interference patterns.

Inducing elliptically polarized high-order harmonics from aligned molecules with linearly polarized femtosecond pulses

DEFF Research Database (Denmark)

Etches, Adam; Madsen, Christian Bruun; Madsen, Lars Bojer

2010-01-01

A recent paper reported elliptically polarized high-order harmonics from aligned N2 using a linearly polarized driving field [X. Zhou et al., Phys. Rev. Lett. 102, 073902 (2009)]. This observation cannot be explained in the standard treatment of the Lewenstein model and has been ascribed to many...

Influence of solvent polarization and non-uniform ion size on electrostatic properties between charged surfaces in an electrolyte solution

Science.gov (United States)

Sin, Jun-Sik

2017-12-01

In this paper, we study electrostatic properties between two similar or oppositely charged surfaces immersed in an electrolyte solution by using the mean-field approach accounting for solvent polarization and non-uniform size effects. Applying a free energy formalism accounting for unequal ion sizes and orientational ordering of water dipoles, we derive coupled and self-consistent equations to calculate electrostatic properties between charged surfaces. Electrostatic properties for similarly charged surfaces depend on the counterion size but not on the coion size. Moreover, electrostatic potential and osmotic pressure between similarly charged surfaces are found to be increased with increasing counterion size. On the other hand, the corresponding ones between oppositely charged surfaces are related to both sizes of positive and negative ions. For oppositely charged surfaces, the electrostatic potential, number density of solvent molecules, and relative permittivity of an electrolyte having unequal ion sizes are not symmetric about the centerline between the charged surfaces. For either case, the consideration of solvent polarization results in a decrease in the electrostatic potential and the osmotic pressure compared to the case without the effect.

Polarized particle levitation in hexapole field

International Nuclear Information System (INIS)

Jones, T.B.; Kallio, G.A.; Robinson, K.S.

1976-06-01

Proposed here is a novel electrostatic levitation scheme which uses the force exerted by a non-uniform electric field on a polarized particle. The scheme differs from conventional quadrupole levitation devices principally in that the levitated particle is uncharged. In order to provide the proper force required to achieve dynamic stabilization, a very intense non-uniform time-varying electric field produced by a three-dimensional hexapole electrode structure is utilized. The primary advantage of this levitation scheme might accrue in target fabrication operations where particle charge is undesirable or where reproducible charging of the particles themselves is difficult, due to high resistivity. The disadvantages of this scheme, as compared to charged particle levitation, are (i) a more complex electrode structure and (ii) significantly higher voltages. The scheme has possible application to molecular mass spectrometry, in situations where un-ionized but strongly polar or polarizable molecules are to be trapped or confined for analysis

Immunomodulation of classical and non-classical HLA molecules by ionizing radiation.

Science.gov (United States)

Gallegos, Cristina E; Michelin, Severino; Dubner, Diana; Carosella, Edgardo D

2016-05-01

Radiotherapy has been employed for the treatment of oncological patients for nearly a century, and together with surgery and chemotherapy, radiation oncology constitutes one of the three pillars of cancer therapy. Ionizing radiation has complex effects on neoplastic cells and on tumor microenvironment: beyond its action as a direct cytotoxic agent, tumor irradiation triggers a series of alterations in tumoral cells, which includes the de novo synthesis of particular proteins and the up/down-regulation of cell surface molecules. Additionally, ionizing radiation may induce the release of "danger signals" which may, in turn lead to cellular and molecular responses by the immune system. This immunomodulatory action of ionizing radiation highlights the importance of the combined use (radiotherapy plus immunotherapy) for cancer healing. Major histocompatibility complex antigens (also called Human Leukocyte Antigens, HLA in humans) are one of those molecules whose expression is modulated after irradiation. This review summarizes the modulatory properties of ionizing radiation on the expression of HLA class I (classical and non-classical) and class II molecules, with special emphasis in non-classical HLA-I molecules. Copyright © 2016 Elsevier Inc. All rights reserved.

Exotic helium molecules

International Nuclear Information System (INIS)

Portier, M.

2007-12-01

We study the photo-association of an ultracold cloud of magnetically trapped helium atoms: pairs of colliding atoms interact with one or two laser fields to produce a purely long range 4 He 2 (2 3 S 1 -2 3 P 0 ) molecule, or a 4 He 2 (2 3 S 1 -2 3 S 1 ) long range molecule. Light shifts in one photon photo-association spectra are measured and studied as a function of the laser polarization and intensity, and the vibrational state of the excited molecule. They result from the light-induced coupling between the excited molecule, and bound and scattering states of the interaction between two metastable atoms. Their analysis leads to the determination of the scattering length a = (7.2 ± 0.6) ruling collisions between spin polarized atoms. The two photon photo-association spectra show evidence of the production of polarized, long-range 4 He 2 (2 3 S 1 -2 3 S 1 ) molecules. They are said to be exotic as they are made of two metastable atoms, each one carrying a enough energy to ionize the other. The corresponding lineshapes are calculated and decomposed in sums and products of Breit-Wigner and Fano profiles associated to one and two photon processes. The experimental spectra are fit, and an intrinsic lifetime τ = (1.4 ± 0.3) μs is deduced. It is checked whether this lifetime could be limited by spin-dipole induced Penning autoionization. This interpretation requires that there is a quasi-bound state close to the dissociation threshold in the singlet interaction potential between metastable helium atoms for the theory to match the experiment. (author)

Latest polarization and beam characterization results of the Orsay polarized electron source

International Nuclear Information System (INIS)

Arianer, J.; Cohen, S.; Essabaa, S.; Frascaria, R.; Zerhouni, O.

1995-01-01

The Orsay polarized electron source based on the chemi-ionization of aligned He(2 3 S 1 ) atoms and CO 2 molecules is briefly described. The latest results concerning electron polarization and beam emittance are presented. The present development status is also discussed. (K.A.)

Continuous centrifuge decelerator for polar molecules.

Science.gov (United States)

Chervenkov, S; Wu, X; Bayerl, J; Rohlfes, A; Gantner, T; Zeppenfeld, M; Rempe, G

2014-01-10

Producing large samples of slow molecules from thermal-velocity ensembles is a formidable challenge. Here we employ a centrifugal force to produce a continuous molecular beam with a high flux at near-zero velocities. We demonstrate deceleration of three electrically guided molecular species, CH3F, CF3H, and CF3CCH, with input velocities of up to 200  m s(-1) to obtain beams with velocities below 15  m s(-1) and intensities of several 10(9)  mm(-2) s(-1). The centrifuge decelerator is easy to operate and can, in principle, slow down any guidable particle. It has the potential to become a standard technique for continuous deceleration of molecules.

Functional fixedness and functional reduction as common sense reasonings in chemical equilibrium and in geometry and polarity of molecules

Science.gov (United States)

Furió, C.; Calatayud, M. L.; Bárcenas, S. L.; Padilla, O. M.

2000-09-01

Many of the learning difficulties in the specific domain of chemistry are found not only in the ideas already possessed by students but in the strategic and procedural knowledge that is characteristic of everyday thinking. These defects in procedural knowledge have been described as functional fixedness and functional reduction. This article assesses the procedural difficulties of students (grade 12 and first and third year of university) based on common sense reasoning in two areas of chemistry: chemical equilibrium and geometry and polarity of molecules. In the first area, the theme of external factors affecting equilibria (temperature and concentration change) was selected because the explanations given by the students could be analyzed easily. The existence of a functional fixedness where Le Chatelier's principle was almost exclusively applied by rote could be observed, with this being the cause of the incorrect responses given to the proposed items. Functional fixedness of the Lewis structure also led to an incorrect prediction of molecular geometry. When molecular geometry was correctly determined by the students, it seemed that other methodological or procedural difficulties appeared when the task was to determine molecular polarity. The students showed a tendency, in many cases, to reduce the factors affecting molecular polarity in two possible ways: (a) assuming that polarity depends only on shape (geometric functional reduction) or (b) assuming that molecular polarity depends only on the polarity of bonds (bonding functional reduction).

Trapping molecules in two and three dimensions

International Nuclear Information System (INIS)

Pinkse, PW.H.; Junglen, T.; Rieger, T.; Rangwala, S.A.; Windpassinger, P.; Rempe, G.

2005-01-01

Full text: Cold molecules offer a new testing ground for quantum-physical effects in nature. For example, producing slow beams of large molecules could push experiments studying the boundary between quantum interference and classical particles up towards ever heavier particles. Moreover, cold molecules, in particular YbF, seem an attractive way to narrow down the constraints on the value of the electron dipole moment and finally, quantum information processing using chains of cold polar molecules or vibrational states in molecules have been proposed. All these proposals rely on advanced production and trapping techniques, most of which are still under development. Therefore, novel production and trapping techniques for cold molecules could offer new possibilities not found in previous methods. Electric traps hold promise for deep trap potentials for neutral molecules. Recently we have demonstrated two-dimensional trapping of polar molecules in a four-wire guide using electrostatic and electrodynamic trapping techniques. Filled from a thermal effusive source, such a guide will deliver a beam of slow molecules, which is an ideal source for interferometry experiments with large molecules, for instance. Here we report about the extension of this work to three-dimensional trapping. Polar molecules with a positive Stark shift can be trapped in the minimum of an electrostatic field. We have successfully tested a large volume electrostatic trap for ND3 molecules. A special feature of this trap is that it can be loaded continuously from an electrostatic guide, at a temperature of a few hundred mK. (author)

Manipulating the dipole layer of polar organic molecules on metal surfaces via different charge-transfer channels

Science.gov (United States)

Lin, Meng-Kai; Nakayama, Yasuo; Zhuang, Ying-Jie; Wang, Chin-Yung; Pi, Tun-Wen; Ishii, Hisao; Tang, S.-J.

The key properties of organic films such as energy level alignment (ELA), work functions, and injection barriers are closely linked to this dipole layer. Using angle resolved photoemission spectroscopy (ARPES), we systemically investigate the coverage-dependent work functions and spectra line shapes of occupied molecular orbital states of a polar molecule, chloroaluminium phthalocyanine (ClAlPc), grown on Ag(111) to show that the orientations of the first ClAlPc layer can be manipulated via the molecule deposition rate and post annealing, causing ELA at organic-metal interface to differ for about 0.3 eV between Cl-up and Cl-down configuration. Moreover, by comparing the experimental results with the calculations based on both gas-phase model and realistic model of ClAlPc on Ag(111) , we evidence that the different orientations of ClAlPc dipole layers lead to different charge-transfer channels between ClAlPc and Ag, a key factor that controls the ELA at organic-metal interface.

Transfection efficiency and uptake process of polyplexes in human lung endothelial cells: a comparative study in non-polarized and polarized cells.

Science.gov (United States)

Mennesson, Eric; Erbacher, Patrick; Piller, Véronique; Kieda, Claudine; Midoux, Patrick; Pichon, Chantal

2005-06-01

Following systemic administration, polyplexes must cross the endothelium barrier to deliver genes to the target cells underneath. To design an efficient gene delivery system into lung epithelium, we evaluated capture and transfection efficiencies of DNA complexed with either Jet-PEI (PEI-polyplexes) or histidylated polylysine (His-polyplexes) in human lung microvascular endothelial cells (HLMEC) and tracheal epithelial cells. After optimizing growth conditions to obtain a tight HLMEC monolayer, we characterized uptake of polyplexes by flow cytometry and evaluated their transfection efficiency. Polyplexes were formulated as small particles. YOYO-labelled plasmid fluorescence intensity and luciferase activity were used as readouts for uptake and gene expression, respectively. PEI-polyplexes were more efficiently taken up than His-polyplexes by both non-polarized (2-fold) and polarized HLMEC (10-fold). They were mainly internalized by a clathrin-dependent pathway whatever the cell state. In non-polarized cells, His-polyplexes entered also mainly via a clathrin-dependent pathway but with an involvement of cholesterol. The cell polarization decreased this way and a clathrin-independent pathway became predominant. PEI-polyplexes transfected more efficiently HLMEC than His-polyplexes (10(7) vs. 10(5) relative light units (RLU)/mg of proteins) with a more pronounced difference in polarized cells. In contrast, no negative effect of the cell polarization was observed with tracheal epithelial cells in which both polyplexes had comparable efficiency. We show that the efficiency of polyplex uptake by HLMEC and their internalization mechanism are polymer-dependent. By contrast with His-polyplexes, the HLMEC polarization has little influence on the uptake process and on the transfection efficiency of PEI-polyplexes. Copyright (c) 2005 John Wiley & Sons, Ltd.

Iterative Methods for the Non-LTE Transfer of Polarized Radiation: Resonance Line Polarization in One-dimensional Atmospheres

Science.gov (United States)

Trujillo Bueno, Javier; Manso Sainz, Rafael

1999-05-01

This paper shows how to generalize to non-LTE polarization transfer some operator splitting methods that were originally developed for solving unpolarized transfer problems. These are the Jacobi-based accelerated Λ-iteration (ALI) method of Olson, Auer, & Buchler and the iterative schemes based on Gauss-Seidel and successive overrelaxation (SOR) iteration of Trujillo Bueno and Fabiani Bendicho. The theoretical framework chosen for the formulation of polarization transfer problems is the quantum electrodynamics (QED) theory of Landi Degl'Innocenti, which specifies the excitation state of the atoms in terms of the irreducible tensor components of the atomic density matrix. This first paper establishes the grounds of our numerical approach to non-LTE polarization transfer by concentrating on the standard case of scattering line polarization in a gas of two-level atoms, including the Hanle effect due to a weak microturbulent and isotropic magnetic field. We begin demonstrating that the well-known Λ-iteration method leads to the self-consistent solution of this type of problem if one initializes using the ``exact'' solution corresponding to the unpolarized case. We show then how the above-mentioned splitting methods can be easily derived from this simple Λ-iteration scheme. We show that our SOR method is 10 times faster than the Jacobi-based ALI method, while our implementation of the Gauss-Seidel method is 4 times faster. These iterative schemes lead to the self-consistent solution independently of the chosen initialization. The convergence rate of these iterative methods is very high; they do not require either the construction or the inversion of any matrix, and the computing time per iteration is similar to that of the Λ-iteration method.

Electronic structures of spinterface for thiophene molecule adsorbed at Co, Fe, and Ni electrode: First principles calculations

Energy Technology Data Exchange (ETDEWEB)

Cai, Linlin; Tian, Yanli; Yuan, Xiaobo; Hu, Guichao; Ren, Junfeng, E-mail: renjf@sdnu.edu.cn

2016-12-15

Highlights: • Thiophene molecule could be spin polarized when adsorbed at Co(001), Fe(100), and Ni(111) surfaces. • The biggest spin polarization will be obtained when the thiophene molecule adsorbed at the Fe(100) surface. • The spin polarization is originated from the interfacial orbital hybridizations between the 3d orbital of ferromagnetic electrodes and the 2p orbital of the thiophene molecule. - Abstract: First principles calculations are adopted to study the spin polarization properties of thiophene molecule which adsorbed at the Co, Fe, and Ni electrode surfaces. The density of states, spin-polarized density distributions as well as the differential charge density distributions are obtained. It is found that the p orbital of the thiophene molecule will interact with the d orbital of the ferromagnetic electrodes, which will generate new spin coupling states and lead to obvious spin polarization in the thiophene molecule. Different electrodes induce different spin polarization properties, and in which the Fe electrode will bring the biggest spin polarization of the thiophene molecule. People can selectively and efficiently inject spin polarized electrons into molecules by choosing suitable ferromagnetic electrodes in organic spintronic devices.

Peculiarities of spin polarization inversion at a thiophene/cobalt interface

KAUST Repository

Wang, Xuhui

2013-03-20

We perform ab initio calculations to investigate the spin polarization at the interface between a thiophene molecule and cobalt substrate. We find that the reduced symmetry in the presence of a sulfur atom (in the thiophene molecule) leads to a strong spatial dependence of the spin polarization of the molecule. The two carbon atoms far from the sulfur acquire a polarization opposite to that of the substrate, while the carbon atoms bonded directly to sulfur possess the same polarization as the substrate. We determine the origin of this peculiar spin interface property as well as its impact on the spin transport.

Plane of polarization rotation induced by a non-Minkowskian spacetime

International Nuclear Information System (INIS)

Evangelidis, E.A.

1979-01-01

Fermat's principle has been used to derive expressions for the curvature and torsion of the path of the electromagnetic radiation in a medium of refractive index n (= function of space coordinates). Levi-Civita's notion of parallelism further, in conjunction with Brill's results have enabled the derivation (1) of Einstein's formula for the deflection of light, and (2) an expression for the rotation of the plane of polarization, an entirely general relativistic effect, unaccountable in Newtonian physics. Finally, the idea is put forward that the observed rotation of polarization in pulsars might be a purely general relativistic effect due to the non-Minkowskian geometry around them. (Auth.)

Tip-induced domain growth on the non-polar cuts of lithium niobate single-crystals

Science.gov (United States)

Alikin, D. O.; Ievlev, A. V.; Turygin, A. P.; Lobov, A. I.; Kalinin, S. V.; Shur, V. Ya.

2015-05-01

Currently, ferroelectric materials with designed domain structures are considered as a perspective material for new generation of photonic, data storage, and data processing devices. Application of external electric field is the most convenient way of the domain structure formation. Lots of papers are devoted to the investigation of domain kinetics on polar surface of crystals while the forward growth remains one of the most mysterious stages due to lack of experimental methods allowing to study it. Here, we performed tip-induced polarization reversal on X- and Y-non-polar cuts in single-crystal of congruent lithium niobate which allows us to study the forward growth with high spatial resolution. The revealed difference in the shape and length of domains induced on X- and Y-cuts is beyond previously developed theoretical approaches used for the theoretical consideration of the domains growth at non-polar ferroelectric surfaces. To explain experimental results, we used kinetic approach with anisotropy of screening efficiency along different crystallographic directions.

Polarization-independent rapidly tunable optical add-drop multiplexer utilizing non-polarizing beam splitters in Ti:LiNbO3

Science.gov (United States)

Shin, Yong-Wook; Sung, Won Ju; Eknoyan, O.; Madsen, C. K.; Taylor, H. F.

2012-04-01

A polarization-independent four-port wavelength-tunable optical add drop multiplexer (OADM) that utilizes non-polarizing relaxed beam splitters has been analyzed and demonstrated in Ti:LiNbO3 at the 1530 nm wavelength regime. The design utilizes an asymmetric interferometer configuration with strain induced index grating for polarization coupling along its arms that are shifted in position relative to each other. Experimental results of the filter response agree with theoretical predictions. Electrooptic tuning over a range of 15.7 nm at a rate of 0.08 nm/V has been measured. A temporal response < 46 ns to a 20 V step change in tuning voltage has been demonstrated. Fiber-to-fiber insertion loss is ~ 6.5 dB.

Conversion of proteins from a non-polarized to an apical secretory pattern in MDCK cells

International Nuclear Information System (INIS)

Vogel, Lotte K.; Larsen, Jakob E.; Hansen, Martin; Truffer, Renato

2005-01-01

Previously it was shown that fusion proteins containing the amino terminus of an apical targeted member of the serpin family fused to the corresponding carboxyl terminus of the non-polarized secreted serpin, antithrombin, are secreted mainly to the apical side of MDCK cells. The present study shows that this is neither due to the transfer of an apical sorting signal from the apically expressed proteins, since a sequence of random amino acids acts the same, nor is it due to the deletion of a conserved signal for correct targeting from the non-polarized secreted protein. Our results suggest that the polarity of secretion is determined by conformational sensitive sorting signals

Non-adiabatic rotational excitation of dipolar molecule under the ...

Indian Academy of Sciences (India)

J. Chem. Sci. Vol. 125, No. 5, September 2013, pp. 1213–1221. c Indian Academy of Sciences. ... The rotational wave packets of LiCl molecule excited non-adiabatically by half cycle pulse. (HCP) is .... pared to the intensities required for the ionization of ..... out and with delayed ultrashort HCP at different initial pulse dura-.

Plasmon mediated non-photochemical nucleation of nanoparticles by circularly polarized light

OpenAIRE

Karpov, Victor G.; Grigorchuk, Nicholas I.

2014-01-01

We predict nucleation of pancake shaped metallic nanoparticles having plasmonic frequencies in resonance with a non-absorbed circularly polarized electromagnetic field. We show that the same field can induce nucleation of randomly oriented needle shaped particles. The probabilities of these shapes are estimated vs. field frequency and strength, material parameters, and temperature. This constitutes a quantitative model of non-photochemical laser induced nucleation (NPLIN) consistent with the ...

EDITORIAL: Focus on Cold and Ultracold Molecules FOCUS ON COLD AND ULTRACOLD MOLECULES

Science.gov (United States)

Carr, Lincoln D.; Ye, Jun

2009-05-01

Cold and ultracold molecules are the next wave of ultracold physics, giving rise to an exciting array of scientific opportunities, including many body physics for novel quantum phase transitions, new states of matter, and quantum information processing. Precision tests of fundamental physical laws benefit from the existence of molecular internal structure with exquisite control. The study of novel collision and reaction dynamics will open a new chapter of quantum chemistry. Cold molecules bring together researchers from a variety of fields, including atomic, molecular, and optical physics, chemistry and chemical physics, quantum information science and quantum simulations, condensed matter physics, nuclear physics, and astrophysics, a truly remarkable synergy of scientific explorations. For the past decade there have been steady advances in direct cooling techniques, from buffer-gas cooling to cold molecular beams to electro- and magneto-molecular decelerators. These techniques have allowed a large variety of molecules to be cooled for pioneering studies. Recent amazing advances in experimental techniques combining the ultracold and the ultraprecise have furthermore brought molecules to the point of quantum degeneracy. These latter indirect cooling techniques magnetically associate atoms from a Bose-Einstein condensate and/or a quantum degenerate Fermi gas, transferring at 90% efficiency highly excited Fano-Feshbach molecules, which are on the order of 10 000 Bohr radii in size, to absolute ground state molecules just a few Bohr across. It was this latter advance, together with significant breakthroughs in internal state manipulations, which inspired us to coordinate this focus issue now, and is the reason why we say the next wave of ultracold physics has now arrived. Whether directly or indirectly cooled, heteronuclear polar molecules offer distinct new features in comparison to cold atoms, while sharing all of their advantages (purity, high coherence

The electron-spin--nuclear-spin interaction studied by polarized neutron scattering.

Science.gov (United States)

Stuhrmann, Heinrich B

2007-11-01

Dynamic nuclear spin polarization (DNP) is mediated by the dipolar interaction of paramagnetic centres with nuclear spins. This process is most likely to occur near paramagnetic centres at an angle close to 45 degrees with respect to the direction of the external magnetic field. The resulting distribution of polarized nuclear spins leads to an anisotropy of the polarized neutron scattering pattern, even with randomly oriented radical molecules. The corresponding cross section of polarized coherent neutron scattering in terms of a multipole expansion is derived for radical molecules in solution. An application using data of time-resolved polarized neutron scattering from an organic chromium(V) molecule is tested.

Generating highly polarized nuclear spins in solution using dynamic nuclear polarization

DEFF Research Database (Denmark)

Wolber, J.; Ellner, F.; Fridlund, B.

2004-01-01

A method to generate strongly polarized nuclear spins in solution has been developed, using Dynamic Nuclear Polarization (DNP) at a temperature of 1.2K, and at a field of 3.354T, corresponding to an electron spin resonance frequency of 94GHz. Trityl radicals are used to directly polarize 13C...... and other low-γ nuclei. Subsequent to the DNP process, the solid sample is dissolved rapidly with a warm solvent to create a solution of molecules with highly polarized nuclear spins. Two main applications are proposed: high-resolution liquid state NMR with enhanced sensitivity, and the use...

Single-molecule fluorescence polarization study of conformational change in archaeal group II chaperonin.

Directory of Open Access Journals (Sweden)

Ryo Iizuka

Full Text Available Group II chaperonins found in archaea and in eukaryotic cytosol mediate protein folding without a GroES-like cofactor. The function of the cofactor is substituted by the helical protrusion at the tip of the apical domain, which forms a built-in lid on the central cavity. Although many studies on the change in lid conformation coupled to the binding and hydrolysis of nucleotides have been conducted, the molecular mechanism of lid closure remains poorly understood. Here, we performed a single-molecule polarization modulation to probe the rotation of the helical protrusion of a chaperonin from a hyperthermophilic archaeum, Thermococcus sp. strain KS-1. We detected approximately 35° rotation of the helical protrusion immediately after photorelease of ATP. The result suggests that the conformational change from the open lid to the closed lid state is responsible for the approximately 35° rotation of the helical protrusion.

Boosting the Amount of Molecular Information Through Polarized Resolved Resonance Raman Scattering

DEFF Research Database (Denmark)

Hassing, Søren

2017-01-01

and near-infrared absorption spectroscopy, i.e. only the spectral distribution is analysed. The goal of the present chapter is to demonstrate that the amount of molecular information (also for solutions and powders) can be increased considerably by analysing also the polarization of the Raman and resonance...... Ramanscattered light. The goal is achieved through: (1) a discussion of the basic properties of Raman scattering with special focus on polarization and polarization dispersion. The discussion includes the rotational invariants of Raman tensors, the non-commuting generator approach to molecular symmetry as a tool...... for construction of state and Raman tensors for single molecules and dimers and higher aggregates and thereby predict the polarization; (2) a discussion of two illustrative case studies: Case study 1: Aggregation of haemoglobin in red blood cells (RBC); and Case study 2: In vitro polarization resolved RRS study...

Comparison of Chlamydia trachomatis serovar L2 growth in polarized genital epithelial cells grown in three-dimensional culture with non-polarized cells.

Science.gov (United States)

Dessus-Babus, Sophie; Moore, Cheryl G; Whittimore, Judy D; Wyrick, Priscilla B

2008-04-01

A common model for studying Chlamydia trachomatis and growing chlamydial stocks uses Lymphogranuloma venereum serovar L2 and non-polarized HeLa cells. However, recent publications indicate that the growth rate and progeny yields can vary considerably for a particular strain depending on the cell line/type used, and seem to be partially related to cell tropism. In the present study, the growth of invasive serovar L2 was compared in endometrial HEC-1B and endocervical HeLa cells polarized on collagen-coated microcarrier beads, as well as in HeLa cells grown in tissue culture flasks. Microscopy analysis revealed no difference in chlamydial attachment/entry patterns or in inclusion development throughout the developmental cycle between cell lines. Very comparable growth curves in both cell lines were also found using real-time PCR analysis, with increases in chlamydial DNA content of 400-500-fold between 2 and 36 h post-inoculation. Similar progeny yields with comparable infectivity were recovered from HEC-1B and HeLa cell bead cultures, and no difference in chlamydial growth was found in polarized vs. non-polarized HeLa cells. In conclusion, unlike other C. trachomatis strains such as urogenital serovar E, invasive serovar L2 grows equally well in physiologically different endometrial and endocervical environments, regardless of the host cell polarization state.

The influence of non polar and polar molecules in mouse motile cells membranes and pure lipid bilayers.

Directory of Open Access Journals (Sweden)

Francisco J Sierra-Valdez

Full Text Available We report an experimental study of mouse sperm motility that shows chief aspects characteristic of neurons: the anesthetic (produced by tetracaine and excitatory (produced by either caffeine or calcium effects and their antagonic action. While tetracaine inhibits sperm motility and caffeine has an excitatory action, the combination of these two substances balance the effects, producing a motility quite similar to that of control cells. We also study the effects of these agents (anesthetic and excitatory on the melting points of pure lipid liposomes constituted by 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC and dipalmitoyl phosphatidic acid (DPPA. Tetracaine induces a large fluidization of the membrane, shifting the liposomes melting transition temperature to much lower values. The effect of caffeine is null, but its addition to tetracaine-doped liposomes greatly screen the fluidization effect. A high calcium concentration stiffens pure lipid membranes and strongly reduces the effect of tetracaine. Molecular Dynamics Simulations are performed to further understand our experimental findings at the molecular level. We find a strong correlation between the effect of antagonic molecules that could explain how the mechanical properties suitable for normal cell functioning are affected and recovered.

Distilling two-center-interference information during tunneling of aligned molecules with orthogonally polarized two-color laser fields

Science.gov (United States)

Gao, F.; Chen, Y. J.; Xin, G. G.; Liu, J.; Fu, L. B.

2017-12-01

When electrons tunnel through a barrier formed by the strong laser field and the two-center potential of a diatomic molecule, a double-slit-like interference can occur. However, this interference effect can not be probed directly right now, as it is strongly coupled with other dynamical processes during tunneling. Here, we show numerically and analytically that orthogonally polarized two-color (OTC) laser fields are capable of resolving the interference effect in tunneling, while leaving clear footprints of this effect in photoelectron momentum distributions. Moreover, this effect can be manipulated by changing the relative field strength of OTC fields.

Broadband Polarization-Insensitive Wavelength Conversion Based on Non-Degenerate Four-Wave Mixing in a Silicon Nanowire

DEFF Research Database (Denmark)

Pu, Minhao; Hu, Hao; Ji, Hua

2012-01-01

We experimentally demonstrate broadband polarization-insensitive one-to-two wavelength conversion of a 10-Gb/s DPSK data signal based on non-degenerate four-wave mixing in a silicon nanowire with bit-error rate measurements.......We experimentally demonstrate broadband polarization-insensitive one-to-two wavelength conversion of a 10-Gb/s DPSK data signal based on non-degenerate four-wave mixing in a silicon nanowire with bit-error rate measurements....

High proton polarization at high temperature with single crystals of aromatic molecules

International Nuclear Information System (INIS)

Iinuma, M.; Takahashi, Y.; Shake, I.; Oda, M.; Masaike, A.; Yabuzaki, T.; Shimizu, H.M.

2004-01-01

Protons in single crystals of naphthalene doped with pentacene and p-terphenyl doped with pentacene have been polarized up to 32% and 18%, respectively. Such polarization has been achieved at liquid nitrogen temperature in a magnetic field of 3 kG by means of microwave-induced optical nuclear polarization. We also measured the polarization by the neutron transmission method. The relaxation time at 77 K in 7 G was found to be about 3 h and the enhancement of the obtained polarization compared with thermal polarization reached 8x10 4 . This method is applicable to neutron experiments

Non vertical vibronic transitions in atom molecule collisions

International Nuclear Information System (INIS)

Klomp, U.C.

1982-01-01

This thesis is mainly devoted to an experimental and theoretical study on vibronic transitions which occur in collisions between an alkali atom and several diatomic molecules. An experimental study on electron and ion production in repulsive Cs-CO and Cs-N 2 collisions, and in Cs-NO and Cs-O 2 non-repulsive collisions is presented. The experimental data are discussed in terms of some existing models. It is clear that a new consistent theory on vibronic transitions is needed to explain the experimental data. Such a theory is presented, and it is shown that some existing models are limiting cases of this theory. An experimental study on the relative probabilities for ion and electron production in collisions between a Na, K or Cs atom and an O 2 or NO molecule is also described. These experiments suggest that the incident velocity of the alkali atoms has a predominant influence on the relative probabilities for ion and electron production in these collisions. (Auth.)

Behavior of tight-junction, adherens-junction and cell polarity proteins during HNF-4α-induced epithelial polarization

International Nuclear Information System (INIS)

Satohisa, Seiro; Chiba, Hideki; Osanai, Makoto; Ohno, Shigeo; Kojima, Takashi; Saito, Tsuyoshi; Sawada, Norimasa

2005-01-01

We previously reported that expression of tight-junction molecules occludin, claudin-6 and claudin-7, as well as establishment of epithelial polarity, was triggered in mouse F9 cells expressing hepatocyte nuclear factor (HNF)-4α [H. Chiba, T. Gotoh, T. Kojima, S. Satohisa, K. Kikuchi, M. Osanai, N. Sawada. Hepatocyte nuclear factor (HNF)-4α triggers formation of functional tight junctions and establishment of polarized epithelial morphology in F9 embryonal carcinoma cells, Exp. Cell Res. 286 (2003) 288-297]. Using these cells, we examined in the present study behavior of tight-junction, adherens-junction and cell polarity proteins and elucidated the molecular mechanism behind HNF-4α-initiated junction formation and epithelial polarization. We herein show that not only ZO-1 and ZO-2, but also ZO-3, junctional adhesion molecule (JAM)-B, JAM-C and cell polarity proteins PAR-3, PAR-6 and atypical protein kinase C (aPKC) accumulate at primordial adherens junctions in undifferentiated F9 cells. In contrast, CRB3, Pals1 and PATJ appeared to exhibit distinct subcellular localization in immature cells. Induced expression of HNF-4α led to translocation of these tight-junction and cell polarity proteins to beltlike tight junctions, where occludin, claudin-6 and claudin-7 were assembled, in differentiated cells. Interestingly, PAR-6, aPKC, CRB3 and Pals1, but not PAR-3 or PATJ, were also concentrated on the apical membranes in differentiated cells. These findings indicate that HNF-4α provokes not only expression of tight-junction adhesion molecules, but also modulation of subcellular distribution of junction and cell polarity proteins, resulting in junction formation and epithelial polarization

Layers of Cold Dipolar Molecules in the Harmonic Approximation

DEFF Research Database (Denmark)

R. Armstrong, J.; Zinner, Nikolaj Thomas; V. Fedorov, D.

2012-01-01

We consider the N-body problem in a layered geometry containing cold polar molecules with dipole moments that are polarized perpendicular to the layers. A harmonic approximation is used to simplify the hamiltonian and bound state properties of the two-body inter-layer dipolar potential are used...... to adjust this effective interaction. To model the intra-layer repulsion of the polar molecules, we introduce a repulsive inter-molecule potential that can be parametrically varied. Single chains containing one molecule in each layer, as well as multi-chain structures in many layers are discussed...... and their energies and radii determined. We extract the normal modes of the various systems as measures of their volatility and eventually of instability, and compare our findings to the excitations in crystals. We find modes that can be classified as either chains vibrating in phase or as layers vibrating against...

Novel Action of Carotenoids on Non-Alcoholic Fatty Liver Disease: Macrophage Polarization and Liver Homeostasis.

Science.gov (United States)

Ni, Yinhua; Zhuge, Fen; Nagashimada, Mayumi; Ota, Tsuguhito

2016-06-24

Non-alcoholic fatty liver disease (NAFLD) is the most common chronic liver disease. It is characterized by a wide spectrum of hepatic changes, which may progress to non-alcoholic steatohepatitis (NASH) and cirrhosis. NAFLD is considered a hepatic manifestation of metabolic syndrome; however, mechanisms underlying the onset and progression of NAFLD are still unclear. Resident and recruited macrophages are key players in the homeostatic function of the liver and in the progression of NAFLD to NASH. Progress has been made in understanding the molecular mechanisms underlying the polarized activation of macrophages. New NAFLD therapies will likely involve modification of macrophage polarization by restraining M1 activation or driving M2 activation. Carotenoids are potent antioxidants and anti-inflammatory micronutrients that have been used to prevent and treat NAFLD. In addition to their antioxidative action, carotenoids can regulate macrophage polarization and thereby halt the progression of NASH. In this review, we summarize the molecular mechanisms of macrophage polarization and the function of liver macrophages/Kupffer cells in NAFLD. From our review, we propose that dietary carotenoids, such as β-cryptoxanthin and astaxanthin, be used to prevent or treat NAFLD through the regulation of macrophage polarization and liver homeostasis.

The impacts of surface polarity on the solubility of nanoparticle

International Nuclear Information System (INIS)

Zhu, Jianzhuo; Su, Jiguo; Ou, Xinwen; Li, Jingyuan

2016-01-01

In order to study the dependence of water solubility and hydration behavior of nanoparticles on their surface polarity, we designed polar nanoparticles with varying surface polarity by assigning atomic partial charge to the surface of C60. The water solubility of the nanoparticle is enhanced by several orders of magnitude after the introduction of surface polarity. Nevertheless, when the atomic partial charge grows beyond a certain value (q M ), the solubility continuously decreases to the level of nonpolar nanoparticle. It should be noted that such q M is comparable with atomic partial charge of a variety of functional groups. The hydration behaviors of nanoparticles were then studied to investigate the non-monotonic dependence of solubility on the surface polarity. The interaction between the polar nanoparticle and the hydration water is stronger than the nonpolar counterpart, which should facilitate the dissolution of the nanoparticles. On the other hand, the surface polarity also reduces the interaction of hydration water with the other water molecules and enhances the interaction between the nanoparticles which may hinder their dispersion. Besides, the introduction of surface polarity disturbs and even rearranges the hydration structure of nonpolar nanoparticle. Interestingly, the polar nanoparticle with less ordered hydration structure tends to have higher water solubility.

Polarization Nonlinear Optics of Quadratically Nonlinear Azopolymers

International Nuclear Information System (INIS)

Konorov, S.O.; Akimov, D.A.; Ivanov, A.A.; Petrov, A.N.; Alfimov, M.V.; Yakimanskii, A.V.; Smirnov, N.N.; Ivanova, V.N.; Kudryavtsev, V.V.; Podshivalov, A.A.; Sokolova, I.M.; Zheltikov, A.M.

2005-01-01

The polarization properties of second harmonic and sum-frequency signals generated by femtosecond laser pulses in films of polymers containing covalent groups of an azobenzothiazole chromophore polarized by an external electric field are investigated. It is shown that the methods of polarization nonlinear optics make it possible to determine the structure of oriented molecular dipoles and reveal important properties of the motion of collectivized πelectrons in organic molecules with strong optical nonlinearities. The polarization measurements show that the tensor of quadratic nonlinear optical susceptibility of chromophore fragments oriented by an external field in macromolecules of the noted azopolymers has a degenerate form. This is indicative of a predominantly one-dimensional character of motion of collectivized π electrons along an extended group of atoms in such molecules

Encaged molecules in external electric fields: A molecular "tug-of-war"

Science.gov (United States)

Gurav, Nalini D.; Gejji, Shridhar P.; Bartolotti, Libero J.; Pathak, Rajeev K.

2016-08-01

Response of polar molecules CH3OH and H2O2 and a non-polar molecule, CO2, as "guests" encapsulated in the dodecahedral water cage (H2O)20 "host," to an external, perturbative electric field is investigated theoretically. We employ the hybrid density-functionals M06-2X and ωB97X-D incorporating the effects of damped dispersion, in conjunction with the maug-cc-pVTZ basis set, amenable for a hydrogen bonding description. While the host cluster (cage) tends to confine the embedded guest molecule through cooperative hydrogen bonding, the applied electric field tends to rupture the cluster-composite by stretching it; these two competitive effects leading to a molecular "tug-of-war." The composite remains stable up to a maximal sustainable threshold electric field, beyond which, concomitant with the vanishing of the HOMO-LUMO gap, the field wins over and the cluster breaks down. The electric-field effects are gauged in terms of the changes in the molecular geometry of the confined species, interaction energy, molecular electrostatic potential surfaces, and frequency shifts of characteristic normal vibrations in the IR regime. Interestingly, beyond the characteristic threshold electric field, the labile, distorted host cluster fragmentizes, and the guest molecule still tethered to a remnant fragment, an effect attributed to the underlying hydrogen-bonded networks.

Molecular electron recollision dynamics in intense circularly polarized laser pulses

Science.gov (United States)

Bandrauk, André D.; Yuan, Kai-Jun

2018-04-01

Extreme UV and x-ray table top light sources based on high-order harmonic generation (HHG) are focused now on circular polarization for the generation of circularly polarized attosecond pulses as new tools for controlling electron dynamics, such as charge transfer and migration and the generation of attosecond quantum electron currents for ultrafast magneto-optics. A fundamental electron dynamical process in HHG is laser induced electron recollision with the parent ion, well established theoretically and experimentally for linear polarization. We discuss molecular electron recollision dynamics in circular polarization by theoretical analysis and numerical simulation. The control of the polarization of HHG with circularly polarized ionizing pulses is examined and it is shown that bichromatic circularly polarized pulses enhance recollision dynamics, rendering HHG more efficient, especially in molecules because of their nonspherical symmetry. The polarization of the harmonics is found to be dependent on the compatibility of the rotational symmetry of the net electric field created by combinations of bichromatic circularly polarized pulses with the dynamical symmetry of molecules. We show how the field and molecule symmetry influences the electron recollision trajectories by a time-frequency analysis of harmonics. The results, in principle, offer new unique controllable tools in the study of attosecond molecular electron dynamics.

Circularly polarized luminescence of syndiotactic polystyrene

Science.gov (United States)

Rizzo, Paola; Abbate, Sergio; Longhi, Giovanna; Guerra, Gaetano

2017-11-01

Syndiotactic polystyrene (s-PS) films, when crystallized from the amorphous state by temporary sorption of non-racemic guest molecules (like carvone) not only exhibit unusually high optical activity, both in the UV-Visible and Infrared ranges, but also present circularly polarized luminescence (CPL) with high dissymmetry ratios (g = ΔI/I values in the range 0.02-0.03). Experimental evidences provide support, rather than to the usual molecular circular dichroism, to a supramolecular chiral optical response being extrinsic to the site of photon absorption and emission, possibly associated with a helical morphology of s-PS crystallites.

Comparison of Chlamydia trachomatis serovar L2 growth in polarized genital epithelial cells grown in three-dimensional culture with non-polarized cells

OpenAIRE

Dessus-Babus, Sophie; Moore, Cheryl G.; Whittimore, Judy D.; Wyrick, Priscilla B.

2008-01-01

A common model for studying Chlamydia trachomatis and growing chlamydial stocks uses Lymphogranuloma venereum serovar L2 and non-polarized HeLa cells. However, recent publications indicate that the growth rate and progeny yields can vary considerably for a particular strain depending on the cell line/type used, and seem to be partially related to cell tropism. In the present study, the growth of invasive serovar L2 was compared in endometrial HEC-1B and endocervical HeLa cells polarized on co...

Band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterostructures measured by X-ray photoemission spectroscopy.

Science.gov (United States)

Sang, Ling; Zhu, Qin Sheng; Yang, Shao Yan; Liu, Gui Peng; Li, Hui Jie; Wei, Hong Yuan; Jiao, Chun Mei; Liu, Shu Man; Wang, Zhan Guo; Zhou, Xiao Wei; Mao, Wei; Hao, Yue; Shen, Bo

2014-01-01

The band offsets of non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are measured by X-ray photoemission spectroscopy. A large forward-backward asymmetry is observed in the non-polar GaN/AlN and AlN/GaN heterojunctions. The valence-band offsets in the non-polar A-plane GaN/AlN and AlN/GaN heterojunctions are determined to be 1.33 ± 0.16 and 0.73 ± 0.16 eV, respectively. The large valence-band offset difference of 0.6 eV between the non-polar GaN/AlN and AlN/GaN heterojunctions is considered to be due to piezoelectric strain effect in the non-polar heterojunction overlayers.

Single-molecule tracking of small GTPase Rac1 uncovers spatial regulation of membrane translocation and mechanism for polarized signaling

Science.gov (United States)

Das, Sulagna; Yin, Taofei; Yang, Qingfen; Zhang, Jingqiao; Wu, Yi I.; Yu, Ji

2015-01-01

Polarized Rac1 signaling is a hallmark of many cellular functions, including cell adhesion, motility, and cell division. The two steps of Rac1 activation are its translocation to the plasma membrane and the exchange of nucleotide from GDP to GTP. It is, however, unclear whether these two processes are regulated independent of each other and what their respective roles are in polarization of Rac1 signaling. We designed a single-particle tracking (SPT) method to quantitatively analyze the kinetics of Rac1 membrane translocation in living cells. We found that the rate of Rac1 translocation was significantly elevated in protrusions during cell spreading on collagen. Furthermore, combining FRET sensor imaging with SPT measurements in the same cell, the recruitment of Rac1 was found to be polarized to an extent similar to that of the nucleotide exchange process. Statistical analysis of single-molecule trajectories and optogenetic manipulation of membrane lipids revealed that Rac1 membrane translocation precedes nucleotide exchange, and is governed primarily by interactions with phospholipids, particularly PI(3,4,5)P3, instead of protein factors. Overall, the study highlights the significance of membrane translocation in spatial Rac1 signaling, which is in addition to the traditional view focusing primarily on GEF distribution and exchange reaction. PMID:25561548

Circular polarization analyzer with polarization tunable focusing of surface plasmon polaritons

Energy Technology Data Exchange (ETDEWEB)

Wang, Sen; Zhang, Yan, E-mail: yzhang@mail.cnu.edu.cn [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Beijing Key Laboratory for Metamaterials and Devices, and Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048 (China); Wang, Xinke [Beijing Key Laboratory for Metamaterials and Devices, and Key Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048 (China); Kan, Qiang [State Key Laboratory for Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Sciences, Beijing 100083 (China); Qu, Shiliang [Optoelectronics Department, Harbin Institute of Technology at Weihai, Weihai 264209 (China)

2015-12-14

A practical circular polarization analyzer (CPA) that can selectively focus surface plasmon polaritons (SPPs) at two separate locations, according to the helicity of the circularly polarized light, is designed and experimentally verified in the terahertz frequency range. The CPA consists of fishbone-slit units and is designed using the simulated annealing algorithm. By differentially detecting the intensities of the two SPPs focuses, the helicity of the incident circularly polarized light can be obtained and the CPA is less vulnerable to the noise of incident light. The proposed device may also have wide potential applications in chiral SPPs photonics and the analysis of chiral molecules in biology.

Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses

Science.gov (United States)

Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi

Our recent theoretical studies on laser-induced π-electron rotations in chiral aromatic molecules are reviewed. π electrons of a chiral aromatic molecule can be rotated along its aromatic ring by a nonhelical, linearly polarized laser pulse. An ansa aromatic molecule with a six-membered ring, 2,5-dichloro[n](3,6) pyrazinophane, which belongs to a planar-chiral molecule group, and its simplified molecule 2,5-dichloropyrazine are taken as model molecules. Electron wavepacket simulations in the frozen-molecular-vibration approximation show that the initial direction of π-electron rotation depends on the polarization direction of a linearly polarized laser pulse applied. Consecutive unidirectional rotation can be achieved by applying a sequence of linearly polarized pump and dump pulses to prevent reverse rotation. Optimal control simulations of π-electron rotation show that another controlling factor for unidirectional rotation is the relative optical phase between the different frequency components of an incident pulse in addition to photon polarization direction. Effects of nonadiabatic coupling between π-electron rotation and molecular vibrations are also presented, where the constraints of the frozen approximation are removed. The angular momentum gradually decays mainly owing to nonadiabatic coupling, while the vibrational amplitudes greatly depend on their rotation direction. This suggests that the direction of π-electron rotation on an attosecond timescale can be identified by detecting femtosecond molecular vibrations.

EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

Directory of Open Access Journals (Sweden)

S. Compernolle

2011-09-01

Full Text Available We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects, a method to predict (subcooled liquid pure compound vapour pressure p⁰ of organic molecules that requires only molecular structure as input. The method is applicable to zero-, mono- and polyfunctional molecules. A simple formula to describe log₁₀p⁰(T is employed, that takes into account both a wide temperature dependence and the non-additivity of functional groups. In order to match the recent data on functionalised diacids an empirical modification to the method was introduced. Contributions due to carbon skeleton, functional groups, and intramolecular interaction between groups are included. Molecules typically originating from oxidation of biogenic molecules are within the scope of this method: aldehydes, ketones, alcohols, ethers, esters, nitrates, acids, peroxides, hydroperoxides, peroxy acyl nitrates and peracids. Therefore the method is especially suited to describe compounds forming secondary organic aerosol (SOA.

Vacuum polarization and non-Newtonian gravitation

International Nuclear Information System (INIS)

Long, D.R.

1980-01-01

Gell-Mann and Low have emphasized that, as first pointed out by Uehling and Serber, vacuum polarization effects produce a logarithmic modification to the Coulomb potential at small distances. Here, it is pointed out that, if these same considerations are applied to gravitation, the logarithmic term will have a sign opposite to that in the Coulomb case and in agreement with recent laboratory results on the gravitational ''constant''. Of considerable importance is the fact that such vacuum polarization effects cannot be observed in null experiments to test the gravitational inverse square law because the polarizing field is absent. It is a striking circumstance that the coefficient of the logarithm in QED is nearly the same as that found in gravitational experiments. (author)

Single-Molecule Electrochemical Transistor Utilizing a Nickel-Pyridyl Spinterface

DEFF Research Database (Denmark)

Brooke, Richard J.; Jin, Chengjun; Szumski, Doug S.

2015-01-01

Using a scanning tunnelling microscope break-junction technique, we produce 4,4′-bipyridine (44BP) single-molecule junctions with Ni and Au contacts. Electrochemical control is used to prevent Ni oxidation and to modulate the conductance of the devices via nonredox gating - the first time this has...... been shown using non-Au contacts. Remarkably the conductance and gain of the resulting Ni-44BP-Ni electrochemical transistors is significantly higher than analogous Au-based devices. Ab-initio calculations reveal that this behavior arises because charge transport is mediated by spin-polarized Ni d...

Theoretical study on magnetism induced by H vacancy in isolated Alq3 and Gaq3 molecules

Science.gov (United States)

Ju, Lin; Xu, Tongshuai; Zhang, Yongjia; Sun, Li

2017-10-01

The magnetism induced by H vacancy in isolated Alq3 and Gaq3 molecules has been studied based on density functional theory. The isolated stoichiometric Alq3 and Gaq3 molecules are non-magnetic. With an H vacancy, both Alq3 and Gaq3 molecules could show magnetism, which are mainly due to the polarization of the C 2p electrons and the magnetic moments are mainly distributed at most nearby C atoms of H vacancies. This is because the unpaired electron on the C atom appears, when the H atom nearby is removed. Six cases of the H vacancy introduced in the Alq3 and Gaq3 molecules are considered, respectively. By comparing the relative defect formation energy, the V H3 vacancy is most likely to appear in the two kinds of molecules. In addition, for the ground state configuration of isolated Alq3 and Gaq3 molecules with two H vacancies, the energy of the ferromagnetic state is lower than that of the antiferromagnetic state, which means that the ferromagnetic state is stable. The ferromagnetic mechanism can be explained by the Heisenberg direct exchange interaction between two the polarized C atoms. Our work opens a new way to synthesize organic magnetic materials and perfects the theory of organic ferromagnetism by introducing the d 0 ferromagnetism.

Powder agglomeration study in RF silane plasmas by in situ polarization-sensitive laser light scattering and TEM measurements

Energy Technology Data Exchange (ETDEWEB)

Courteille, C; Hollenstein, C; Dorier, J L; Gay, P; Schwarzenbach, W; Howling, A A [Ecole Polytechnique Federale, Lausanne (Switzerland). Centre de Recherche en Physique des Plasma (CRPP); Bertran, E; Viera, G [Barcelona Univ., Dep. de de Fisica Aplicada I Electronica, Barcelona (Spain); Martins, R; Macarico, A [FCTUNL, Materials Science Dep., Monte de Caparica (Portugal)

1966-03-01

To determine self-consistently the time evolution of particle size and their number density in situ multi-angle polarization laser light scattering was used. Cross-polarization intensities (incident and scattered light intensities with opposite polarization) measured at 135{sup o} and ex-situ TEM analysis demonstrate the existence of non-spherical agglomerates during the early phase of agglomeration. Later in the particle time development both techniques reveal spherical particles again. The presence of strong cross-polarization intensities is accompanied by low frequency instabilities detected on the scattered light intensities and plasma emission. It is found that the particle radius and particle number density during the agglomeration phase can be well described by the Brownian Free Molecule Coagulation model. Application of this neutral particle coagulation model is justified by calculation of the particle charge whereby it is shown that particles of a few tens of nanometer can be considered as neutral under our experimental conditions. The measured particle dispersion can be well described by a Brownian Free Molecule Coagulation model including a log-normal particle size distribution. (author) 11 figs., 48 refs.

Powder agglomeration study in RF silane plasmas by in situ polarization-sensitive laser light scattering and TEM measurements

International Nuclear Information System (INIS)

Courteille, C.; Hollenstein, C.; Dorier, J.L.; Gay, P.; Schwarzenbach, W.; Howling, A.A.; Bertran, E.; Viera, G.; Martins, R.; Macarico, A.

1966-03-01

To determine self-consistently the time evolution of particle size and their number density in situ multi-angle polarization laser light scattering was used. Cross-polarization intensities (incident and scattered light intensities with opposite polarization) measured at 135 o and ex-situ TEM analysis demonstrate the existence of non-spherical agglomerates during the early phase of agglomeration. Later in the particle time development both techniques reveal spherical particles again. The presence of strong cross-polarization intensities is accompanied by low frequency instabilities detected on the scattered light intensities and plasma emission. It is found that the particle radius and particle number density during the agglomeration phase can be well described by the Brownian Free Molecule Coagulation model. Application of this neutral particle coagulation model is justified by calculation of the particle charge whereby it is shown that particles of a few tens of nanometer can be considered as neutral under our experimental conditions. The measured particle dispersion can be well described by a Brownian Free Molecule Coagulation model including a log-normal particle size distribution. (author) 11 figs., 48 refs

Polarization: A Must for Fusion

Directory of Open Access Journals (Sweden)

Guidal M.

2012-10-01

Full Text Available Recent realistic simulations confirm that the polarization of the fuel would improve significantly the DT fusion efficiency. We have proposed an experiment to test the persistence of the polarization in a fusion process, using a terawatt laser hitting a polarized HD target. The polarized deuterons heated in the plasma induced by the laser can fuse producing a 3He and a neutron in the final state. The angular distribution of the neutrons and the change in the corresponding total cross section are related to the polarization persistence. The experimental polarization of DT fuel is a technological challenge. Possible paths for Magnetic Confinement Fusion (MCF and for Inertial Confinement Fusion (ICF are reviewed. For MCF, polarized gas can be used. For ICF, cryogenic targets are required. We consider both, the polarization of gas and the polarization of solid DT, emphasizing the Dynamic Nuclear polarization (DNP of HD and DT molecules.

Current-induced switching of magnetic molecules on topological insulator surfaces

Science.gov (United States)

Locane, Elina; Brouwer, Piet W.

2017-03-01

Electrical currents at the surface or edge of a topological insulator are intrinsically spin polarized. We show that such surface or edge currents can be used to switch the orientation of a molecular magnet weakly coupled to the surface or edge of a topological insulator. For the edge of a two-dimensional topological insulator as well as for the surface of a three-dimensional topological insulator the application of a well-chosen surface or edge current can lead to a complete polarization of the molecule if the molecule's magnetic anisotropy axis is appropriately aligned with the current direction. For a generic orientation of the molecule a nonzero but incomplete polarization is obtained. We calculate the probability distribution of the magnetic states and the switching rates as a function of the applied current.

Polar transport in plants mediated by membrane transporters: focus on mechanisms of polar auxin transport.

Science.gov (United States)

Naramoto, Satoshi

2017-12-01

Directional cell-to-cell transport of functional molecules, called polar transport, enables plants to sense and respond to developmental and environmental signals. Transporters that localize to plasma membranes (PMs) in a polar manner are key components of these systems. PIN-FORMED (PIN) auxin efflux carriers, which are the most studied polar-localized PM proteins, are implicated in the polar transport of auxin that in turn regulates plant development and tropic growth. In this review, the regulatory mechanisms underlying polar localization of PINs, control of auxin efflux activity, and PIN abundance at PMs are considered. Up to date information on polar-localized nutrient transporters that regulate directional nutrient movement from soil into the root vasculature is also discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Molecular simulation of polar molecules interaction with MOFs family materials

International Nuclear Information System (INIS)

De Toni, M.

2012-01-01

The topic of this thesis is the adsorption of simple molecular fluids in nano-porous materials. Many industrial processes are based on this phenomenon, including ionic exchange, selective separation and heterogeneous catalysis. I used molecular simulation to study the adsorption properties of polar molecules of industrial interest (CO 2 and H 2 O) in a new class of crystalline microporous hybrid organic-inorganic materials called Metal-Organic Frameworks (MOFs). They have exceptional adsorption properties due to their topological variety and their versatility, allowed by the large range of possibilities offered by organic and coordination chemistry and functionalizations. I first studied the adsorption of CO 2 in a family of materials called IRMOFs, which share the same topology but have different porous volume, in order to characterize the effect of confinement on their adsorption performance. In particular, a general behavior has been highlighted: the critical temperature decreases when the confinement increases. Then, I looked at a recently synthesized cationic MOF called Zn2(CBTACN). After having localized the extra-framework halogen anions in the unit cell of the material, something which was not possible experimentally, I characterized CO 2 adsorption in this system first as a pure gas and then as a component of different mixtures. Finally, I was interested in the hydrothermal stability of MOFs, a crucial issue for their use in industrial applications. I observed the hydration mechanism of system that is analogous to the MOF-5 (IRMOF-0h) and shed light on some collaborative effects of the attack of water that were unknown to in the literature. (author)

Quantum switching of π-electron rotations in a nonplanar chiral molecule by using linearly polarized UV laser pulses.

Science.gov (United States)

Mineo, Hirobumi; Yamaki, Masahiro; Teranishi, Yoshiaki; Hayashi, Michitoshi; Lin, Sheng Hsien; Fujimura, Yuichi

2012-09-05

Nonplanar chiral aromatic molecules are candidates for use as building blocks of multidimensional switching devices because the π electrons can generate ring currents with a variety of directions. We employed (P)-2,2'-biphenol because four patterns of π-electron rotations along the two phenol rings are possible and theoretically determine how quantum switching of the π-electron rotations can be realized. We found that each rotational pattern can be driven by a coherent excitation of two electronic states under two conditions: one is the symmetry of the electronic states and the other is their relative phase. On the basis of the results of quantum dynamics simulations, we propose a quantum control method for sequential switching among the four rotational patterns that can be performed by using ultrashort overlapped pump and dump pulses with properly selected relative phases and photon polarization directions. The results serve as a theoretical basis for the design of confined ultrafast switching of ring currents of nonplanar molecules and further current-induced magnetic fluxes of more sophisticated systems.

Effect of Pulse Polarity on Thresholds and on Non-monotonic Loudness Growth in Cochlear Implant Users.

Science.gov (United States)

Macherey, Olivier; Carlyon, Robert P; Chatron, Jacques; Roman, Stéphane

2017-06-01

Most cochlear implants (CIs) activate their electrodes non-simultaneously in order to eliminate electrical field interactions. However, the membrane of auditory nerve fibers needs time to return to its resting state, causing the probability of firing to a pulse to be affected by previous pulses. Here, we provide new evidence on the effect of pulse polarity and current level on these interactions. In experiment 1, detection thresholds and most comfortable levels (MCLs) were measured in CI users for 100-Hz pulse trains consisting of two consecutive biphasic pulses of the same or of opposite polarity. All combinations of polarities were studied: anodic-cathodic-anodic-cathodic (ACAC), CACA, ACCA, and CAAC. Thresholds were lower when the adjacent phases of the two pulses had the same polarity (ACCA and CAAC) than when they were different (ACAC and CACA). Some subjects showed a lower threshold for ACCA than for CAAC while others showed the opposite trend demonstrating that polarity sensitivity at threshold is genuine and subject- or electrode-dependent. In contrast, anodic (CAAC) pulses always showed a lower MCL than cathodic (ACCA) pulses, confirming previous reports. In experiments 2 and 3, the subjects compared the loudness of several pulse trains differing in current level separately for ACCA and CAAC. For 40 % of the electrodes tested, loudness grew non-monotonically as a function of current level for ACCA but never for CAAC. This finding may relate to a conduction block of the action potentials along the fibers induced by a strong hyperpolarization of their central processes. Further analysis showed that the electrodes showing a lower threshold for ACCA than for CAAC were more likely to yield a non-monotonic loudness growth. It is proposed that polarity sensitivity at threshold reflects the local neural health and that anodic asymmetric pulses should preferably be used to convey sound information while avoiding abnormal loudness percepts.

Role of the electronegativity for the interface properties of non-polar heterostructures

KAUST Repository

Nazir, Safdar; Singh, Nirpendra; Kahaly, M. Upadhyay; Schwingenschlö gl, Udo

2012-01-01

Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2

Non-polarized cytokine profile of a long-term non-progressor HIV infected patient.

Science.gov (United States)

Pina, Ana Flávia; Matos, Vanessa Terezinha Gubert de; Bonin, Camila Mareti; Dal Fabbro, Márcia Maria Ferrairo Janini; Tozetti, Inês Aparecida

The HIV-1 initial viral infection may present diverse clinical and laboratory course and lead to rapid, intermediate, or long-term progression. Among the group of non-progressors, the elite controllers are those who control the infection most effectively, in the absence of antiretroviral therapy (ART). In this paper, the TH1, TH2 and TH17 cytokines profiles are described, as well as clinical and laboratory aspects of an HIV-infected patient with undetectable viral load without antiretroviral therapy. Production of IL-6, IL-10, TNF-α, IFN-γ, and IL-17 was detected; in contrast IL-4 was identified. Host-related factors could help explain such a level of infection control, namely the differentiated modulation of the cellular immune response and a non-polarized cytokine response of the TH1 and TH2 profiles. Copyright © 2018 Sociedade Brasileira de Infectologia. Published by Elsevier Editora Ltda. All rights reserved.

Polarization Effects in Attosecond Photoelectron Spectroscopy

DEFF Research Database (Denmark)

Baggesen, Jan Conrad; Madsen, Lars Bojer

2010-01-01

following the field instead. We show that polarization effects may lead to an apparent temporal shift that needs to be properly accounted for in the analysis. The effect may be isolated and studied by angle-resolved photoelectron spectroscopy from oriented polar molecules. We also show that polarization...... effects will lead to an apparent temporal shift of 50 as between photoelectrons from a 2p and 1s state in atomic hydrogen....

Theoretical study on the ground state of the polar alkali-metal-barium molecules: Potential energy curve and permanent dipole moment

International Nuclear Information System (INIS)

Gou, Dezhi; Kuang, Xiaoyu; Gao, Yufeng; Huo, Dongming

2015-01-01

In this paper, we systematically investigate the electronic structure for the 2 Σ + ground state of the polar alkali-metal-alkaline-earth-metal molecules BaAlk (Alk = Li, Na, K, Rb, and Cs). Potential energy curves and permanent dipole moments (PDMs) are determined using power quantum chemistry complete active space self-consistent field and multi-reference configuration interaction methods. Basic spectroscopic constants are derived from ro-vibrational bound state calculation. From the calculations, it is shown that BaK, BaRb, and BaCs molecules have moderate values of PDM at the equilibrium bond distance (BaK:1.62 D, BaRb:3.32 D, and BaCs:4.02 D). Besides, the equilibrium bond length (4.93 Å and 5.19 Å) and dissociation energy (0.1825 eV and 0.1817 eV) for the BaRb and BaCs are also obtained

Spin polarized electron tunneling and magnetoresistance in molecular junctions.

Science.gov (United States)

Szulczewski, Greg

2012-01-01

This chapter reviews tunneling of spin-polarized electrons through molecules positioned between ferromagnetic electrodes, which gives rise to tunneling magnetoresistance. Such measurements yield important insight into the factors governing spin-polarized electron injection into organic semiconductors, thereby offering the possibility to manipulate the quantum-mechanical spin degrees of freedom for charge carriers in optical/electrical devices. In the first section of the chapter a brief description of the Jullière model of spin-dependent electron tunneling is reviewed. Next, a brief description of device fabrication and characterization is presented. The bulk of the review highlights experimental studies on spin-polarized electron tunneling and magnetoresistance in molecular junctions. In addition, some experiments describing spin-polarized scanning tunneling microscopy/spectroscopy on single molecules are mentioned. Finally, some general conclusions and prospectus on the impact of spin-polarized tunneling in molecular junctions are offered.

Study of the motion of electrons in non polar classical liquids. Measurement of Hall effect and f.i.r. search for low energy traps. Progress report

International Nuclear Information System (INIS)

1981-01-01

Progress is reported on experiments aimed at the measurement of the Hall mobility of injected electrons in classical non polar insulating liquids and the optical absorption associated with electrons captured by shallow traps in the liquefied rare gases. Theoretical work aimed at a better understanding of the trapping kinetics of electrons by SF 6 and O 2 dissolved in rare gas liquids was also carried out. Its conclusion is that the electric field dependence of the trapping probability can be explained, basically without adjustable parameters, by considering the Poole-Frenkel-Schotky ionization of the excited state of the traps. From the analysis of published data on the motion of electrons in liquid ethane it is tentatively concluded that at low temperatures the trapping of electrons in the liquid involves a Jahn-Teller like distortion of a single ethane molecule while at higher temperatures it is necessary to consider a small molecular cluster, possibly made up of 2 molecules

Single Molecule 3D Orientation in Time and Space: A 6D Dynamic Study on Fluorescently Labeled Lipid Membranes

DEFF Research Database (Denmark)

Börner, Richard; Ehrlich, Nicky; Hohlbein, Johannes

2016-01-01

Interactions between single molecules profoundly depend on their mutual three-dimensional orientation. Recently, we demonstrated a technique that allows for orientation determination of single dipole emitters using a polarization-resolved distribution of fluorescence into several detection channels...... interesting in non-isotropic environments such as lipid membranes, which are of great importance in biology. We used giant unilamellar vesicles (GUVs) labeled with fluorescent dyes down to a single molecule concentration as a model system for both, assessing the robustness of the orientation determination...

Effective inclusion of polarization effects in calculations of the oscillator strengths and transition energies in atoms and molecules using the equation-of-motion method

International Nuclear Information System (INIS)

Glushkov, A.V.; Kol'tsova, N.Yu.

1994-01-01

Equations of motion were solved by a modified method in a quasi-particle representation of the density functional taking into account the most important polarization effects, including the so-called 2p-2h two-particle-two-hole interactions. Based on these calculations, spectroscopic data on energies and oscillator strengths of the helium atom (the test computation), carbon monoxide, nitrogen molecule, and ethylene are presented that refine some previously reported experimental and theoretical results. It is shown that in some cases the inclusion of polarization corrections introduced by 2p-2h effects is of basic importance because it provides up to ∼30% contribution to the energies and oscillator strengths. 23 refs., 5 tabs

Realization and utilization of a harmonic light scattering experiment to select new molecules with great optical nonlinearity

International Nuclear Information System (INIS)

Dhenaut, Christophe

1995-01-01

Conception of new organic materials for nonlinear optics is generally driven by a molecular engineering approach. The usual technique for determining the quadratic hyper polarizability of designed molecules is the electric field induced second harmonic (EFISH) experiment. However this technique is limited to neutral molecules with a permanent dipole moment. We have realized an harmonic light scattering (HLS) experiment which allow the measurement of any kind of molecules, polar or non polar, neutral or ionic. Using this technique we have been able to demonstrate experimentally the validity of the octupole concept (molecules without dipole moment) which has been proposed recently. We have studied molecules corresponding to various octupolar geometries. Nonlinearities are found to be comparable to those of the best dipolar compounds. We have also investigated other molecular families with different symmetry such as polyenes, sub-phthalocyanines and phthalocyanines by EFISH and HLS techniques. We have confronted results obtained by the two experiments. It appears that these results are not easy to compare, the tensorial components accessible by each experiment being different. The two experiments seems complementary. HLS experiments allow the observation of a quadratic hyper polarizability for centrosymmetric molecules. This surprising observation could be explained by the contribution of a vibration al part to the hyper polarizability measured by HLS (but not present in EFISH). Interpretation of this dynamic process is still in progress. (author) [fr

3D Multi-Level Non-LTE Radiative Transfer for the CO Molecule

Science.gov (United States)

Berkner, A.; Schweitzer, A.; Hauschildt, P. H.

2015-01-01

The photospheres of cool stars are both rich in molecules and an environment where the assumption of LTE can not be upheld under all circumstances. Unfortunately, detailed 3D non-LTE calculations involving molecules are hardly feasible with current computers. For this reason, we present our implementation of the super level technique, in which molecular levels are combined into super levels, to reduce the number of unknowns in the rate equations and, thus, the computational effort and memory requirements involved, and show the results of our first tests against the 1D implementation of the same method.

Probing symmetry and symmetry breaking in resonant soft-x-ray fluorescence spectra of molecules

Energy Technology Data Exchange (ETDEWEB)

Glans, P.; Gunnelin, K.; Guo, J. [Uppsala Univ. (Sweden)] [and others

1997-04-01

Conventional non-resonant soft X-ray emission brings about information about electronic structure through its symmetry and polarization selectivity, the character of which is governed by simple dipole rules. For centro-symmetric molecules with the emitting atom at the inversion center these rules lead to selective emission through the required parity change. For the more common classes of molecules which have lower symmetry or for systems with degenerate core orbitals (delocalized over identical sites), it is merely the local symmetry selectivity that provides a probe of the local atomic orbital contribution to the molecular orbital. For instance, in X-ray spectra of first row species the intensities essentially map the p-density at each particular atomic site, and, in a molecular orbital picture, the contribution of the local p-type atomic orbitals in the LCAO description of the molecular orbitals. The situation is different for resonant X-ray fluorescence spectra. Here strict parity and symmetry selectivity gives rise to a strong frequency dependence for all molecules with an element of symmetry. In addition to symmetry selectivity the strong frequency dependence of resonant X-ray emission is caused by the interplay between the shape of a narrow X-ray excitation energy function and the lifetime and vibrational broadenings of the resonantly excited core states. This interplay leads to various observable effects, such as linear dispersion, resonance narrowing and emission line (Stokes) doubling. Also from the point of view of polarization selectivity, the resonantly excited X-ray spectra are much more informative than the corresponding non-resonant spectra. Examples are presented for nitrogen, oxygen, and carbon dioxide molecules.

Photoexcitation circular dichroism in chiral molecules

Science.gov (United States)

Beaulieu, S.; Comby, A.; Descamps, D.; Fabre, B.; Garcia, G. A.; Géneaux, R.; Harvey, A. G.; Légaré, F.; Mašín, Z.; Nahon, L.; Ordonez, A. F.; Petit, S.; Pons, B.; Mairesse, Y.; Smirnova, O.; Blanchet, V.

2018-05-01

Chiral effects appear in a wide variety of natural phenomena and are of fundamental importance in science, from particle physics to metamaterials. The standard technique of chiral discrimination—photoabsorption circular dichroism—relies on the magnetic properties of a chiral medium and yields an extremely weak chiral response. Here, we propose and demonstrate an orders of magnitude more sensitive type of circular dichroism in neutral molecules: photoexcitation circular dichroism. This technique does not rely on weak magnetic effects, but takes advantage of the coherent helical motion of bound electrons excited by ultrashort circularly polarized light. It results in an ultrafast chiral response and the efficient excitation of a macroscopic chiral density in an initially isotropic ensemble of randomly oriented chiral molecules. We probe this excitation using linearly polarized laser pulses, without the aid of further chiral interactions. Our time-resolved study of vibronic chiral dynamics opens a way to the efficient initiation, control and monitoring of chiral chemical change in neutral molecules at the level of electrons.

Non-uniformly polarized beams across their transverse profiles: an introductory study for undergraduate optics courses

International Nuclear Information System (INIS)

Piquero, Gemma; Vargas-Balbuena, Javier

2004-01-01

We provide a simple theoretical study of beams non-uniformly polarized across their transverse sections which can be introduced in undergraduate optics courses. In order to generate such beams we propose to use a slightly convergent (or divergent) linearly and uniformly polarized beam impinging on an anisotropic uniaxial material with the beam propagation direction along the optic axis. Analytical expressions for the Jones vector, Stokes parameters, ellipticity and azimuth at each point of the transverse section, perpendicular to the propagation direction, are obtained at the output of this system. By means of these parameters a detailed description of the state of polarization across the transverse profile is given

Imaging and manipulation of a polar molecule on Ag(111)

DEFF Research Database (Denmark)

Lin, R.; Braun, K.F.; Tang, H.

2001-01-01

A scanning tunneling microscope (STM) was applied to image and laterally manipulate isolated phosphangulene molecules on Ag(111) at 6 K. Atomic-resolution images clearly revealed three characteristic types of appearances (three-lobed, fish and bump shape) for the adsorbed molecules, which could...

Application of the method of continued fractions for electron scattering by linear molecules

International Nuclear Information System (INIS)

Lee, M.-T.; Iga, I.; Fujimoto, M.M.; Lara, O.; Brasilia Univ., DF

1995-01-01

The method of continued fractions (MCF) of Horacek and Sasakawa is adapted for the first time to study low-energy electron scattering by linear molecules. Particularly, we have calculated the reactance K-matrices for an electron scattered by hydrogen molecule and hydrogen molecular ion as well as by a polar LiH molecule in the static-exchange level. For all the applications studied herein. the calculated physical quantities converge rapidly, even for a strongly polar molecule such as LiH, to the correct values and in most cases the convergence is monotonic. Our study suggests that the MCF could be an efficient method for studying electron-molecule scattering and also photoionization of molecules. (Author)

Resonance-inclined optical nuclear spin polarization of liquids in diamond structures

Science.gov (United States)

Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.

2016-02-01

Dynamic nuclear polarization (DNP) of molecules in a solution at room temperature has the potential to revolutionize nuclear magnetic resonance spectroscopy and imaging. The prevalent methods for achieving DNP in solutions are typically most effective in the regime of small interaction correlation times between the electron and nuclear spins, limiting the size of accessible molecules. To solve this limitation, we design a mechanism for DNP in the liquid phase that is applicable for large interaction correlation times. Importantly, while this mechanism makes use of a resonance condition similar to solid-state DNP, the polarization transfer is robust to a relatively large detuning from the resonance due to molecular motion. We combine this scheme with optically polarized nitrogen-vacancy (NV) center spins in nanodiamonds to design a setup that employs optical pumping and is therefore not limited by room temperature electron thermal polarization. We illustrate numerically the effectiveness of the model in a flow cell containing nanodiamonds immobilized in a hydrogel, polarizing flowing water molecules 4700-fold above thermal polarization in a magnetic field of 0.35 T, in volumes detectable by current NMR scanners.

Spectroscopic and electrooptical manifestations of internal rotation of the outer-sphere cation in Li(PO3) molecule

International Nuclear Information System (INIS)

Romanets, A.V.; Sukhanov, L.P.

1997-01-01

Spectroscopic and electrooptical manifestations of internal molecular rotations in LiPO 3 have been studied on the basis of ab initio calculated surface of potential energy and dipole momentum function using the finite element method. It has been ascertained that tunnel splitting of energy levels with number n, available for vibrational spectroscopy of high resolution, apper in the molecule studied only at n≥13. It is shown that internal rotations in the molecule are able to decrease sharply its polarity on vibration-excited levels, sufficiently far from the vertex of potential barrier of intramolecular regroupings. Difficulties of experimental confirmation of predicted electrooptical effect of structural non-rigidity in the molecule studied are discussed

TNF-α decreases VEGF secretion in highly polarized RPE cells but increases it in non-polarized RPE cells related to crosstalk between JNK and NF-κB pathways.

Directory of Open Access Journals (Sweden)

Hiroto Terasaki

Full Text Available Asymmetrical secretion of vascular endothelial growth factor (VEGF by retinal pigment epithelial (RPE cells in situ is critical for maintaining the homeostasis of the retina and choroid. VEGF is also involved in the development and progression of age-related macular degeneration (AMD. We studied the effect of tumor necrosis factor-α (TNF-α on the secretion of VEGF in polarized and non-polarized RPE cells (P-RPE cells and N-RPE cells, respectively in culture and in situ in rats. A subretinal injection of TNF-α caused a decrease in VEGF expression and choroidal atrophy. Porcine RPE cells were seeded on Transwell™ filters, and their maturation and polarization were confirmed by the asymmetrical VEGF secretion and trans electrical resistance. Exposure to TNF-α decreased the VEGF secretion in P-RPE cells but increased it in N-RPE cells in culture. TNF-α inactivated JNK in P-RPE cells but activated it in N-RPE cells, and TNF-α activated NF-κB in P-RPE cells but not in N-RPE cells. Inhibition of NF-κB activated JNK in both types of RPE cells indicating crosstalk between JNK and NF-κB. TNF-α induced the inhibitory effects of NF-κB on JNK in P-RPE cells because NF-κB is continuously inactivated. In N-RPE cells, however, it was not evident because NF-κB was already activated. The basic activation pattern of JNK and NF-κB and their crosstalk led to opposing responses of RPE cells to TNF-α. These results suggest that VEGF secretion under inflammatory conditions depends on cellular polarization, and the TNF-α-induced VEGF down-regulation may result in choroidal atrophy in polarized physiological RPE cells. TNF-α-induced VEGF up-regulation may cause neovascularization by non-polarized or non-physiological RPE cells.

Molecular orientation in aligned electrospun polyimide nanofibers by polarized FT-IR spectroscopy.

Science.gov (United States)

Yang, Haoqi; Jiang, Shaohua; Fang, Hong; Hu, Xiaowu; Duan, Gaigai; Hou, Haoqing

2018-07-05

Quantitative explanation on the improved mechanical properties of aligned electrospun polyimide (PI) nanofibers as the increased imidization temperatures is highly required. In this work, polarized FT-IR spectroscopy is applied to solve this problem. Based on the polarized FT-IR spectroscopy and the molecular model in the fibers, the length of the repeat unit of PI molecule, the angle between the fiber axis and the symmetric stretching direction of carbonyl group on the imide ring, and the angle between the PI molecular axis and fiber axis are all investigated. The Mark-Howink equation is used to calculate the number-average molar mass of PI molecules. The orientation states of PI molecules in the electrospun nanofibers are studied from the number-average molar mass of PI molecules and the average fiber diameter. Quantitative analysis of the orientation factor of PI molecules in the electrospun nanofibers is performed by polarized FT-IR spectroscopy. Copyright © 2018 Elsevier B.V. All rights reserved.

Charge-Dipole Acceleration of Polar Gas Molecules towards Charged Nanoparticles: Involvement in Powerful Charge-Induced Catalysis of Heterophase Chemical Reactions and Ball Lightning Phenomenon

Directory of Open Access Journals (Sweden)

Oleg Meshcheryakov

2010-01-01

Full Text Available In humid air, the substantial charge-dipole attraction and electrostatic acceleration of surrounding water vapour molecules towards charged combustible nanoparticles cause intense electrostatic hydration and preferential oxidation of these nanoparticles by electrostatically accelerated polar water vapour molecules rather than nonaccelerated nonpolar oxygen gas molecules. Intense electrostatic hydration of charged combustible nanoparticles converts the nanoparticle's oxide-based shells into the hydroxide-based electrolyte shells, transforming these nanoparticles into reductant/air core-shell nanobatteries, periodically short-circuited by intraparticle field and thermionic emission. Partially synchronized electron emission breakdowns within trillions of nanoparticles-nanobatteries turn a cloud of charged nanoparticles-nanobatteries into a powerful radiofrequency aerosol generator. Electrostatic oxidative hydration and charge-catalyzed oxidation of charged combustible nanoparticles also contribute to a self-oscillating thermocycling process of evolution and periodic autoignition of inflammable gases near to the nanoparticle's surface. The described effects might be of interest for the improvement of certain nanotechnological heterophase processes and to better understand ball lightning phenomenon.

Single-Molecule Electronics with Cross- Conjugated Molecules: Quantum Interference, IETS and Non-Equilibrium "Temperatures"

DEFF Research Database (Denmark)

Jørgensen, Jacob Lykkebo

Abstract The idea of using single-molecules as components in electronic devices is fas- cinating. For this idea to come into fruition, a number of technical and theo- retical challenges must be overcome. In this PhD thesis, the electron-phonon interaction is studied for a special class of molecules......, which is characterised by destructive quantum interference. The molecules are cross-conjugated, which means that the two parts of the molecules are conjugated to a third part, but not to each other. This gives rise to an anti-resonance in the trans- mission. In the low bias and low temperature regime......-conjugated molecules. We nd that the vibrational modes that would be expected to dominate, following the propensity, rules are very weak. Instead, other modes are found to be the dominant ones. We study this phenomenon for a number of cross-conjugated molecules, and link these ndings to the anti...

A cryofuge for cold-collision experiments with slow polar molecules

Science.gov (United States)

Wu, Xing; Gantner, Thomas; Koller, Manuel; Zeppenfeld, Martin; Chervenkov, Sotir; Rempe, Gerhard

2017-11-01

Ultracold molecules represent a fascinating research frontier in physics and chemistry, but it has proven challenging to prepare dense samples at low velocities. Here, we present a solution to this goal by means of a nonconventional approach dubbed cryofuge. It uses centrifugal force to bring cryogenically cooled molecules to kinetic energies below 1 K × kB in the laboratory frame, where kB is the Boltzmann constant, with corresponding fluxes exceeding 1010 per second at velocities below 20 meters per second. By attaining densities higher than 109 per cubic centimeter and interaction times longer than 25 milliseconds in samples of fluoromethane as well as deuterated ammonia, we observed cold dipolar collisions between molecules and determined their collision cross sections.

Calamitic Smectic A-Polar Smectic APA Transition Observed in Bent Molecules with Large Bent-Angle Central Core of 4,6-Dichlorobenzene and Alkylthio Terminal Tail

Science.gov (United States)

Nguyen, Ha; Kang, Sungmin; Tokita, Masatoshi; Watanabe, Junji

2011-07-01

New homologs of bent molecules with a large bent-angle central core of 4,6-dichloro benzene and an alkylthio terminal tail have been synthesized. Although the corresponding alkoxy-tail homologs show only the calamitic phases because of its large bent angles around 160°, the new homologs with an alkylthio tail exhibit the antiferroelectric smectic APA (SmAPA) banana phase that is transformed on cooling from the calamitic smectic A (SmA) phase. The biaxial polar packing of bent molecules in the SmAPA phase is considered to arise from the hindered rotation around the molecular long axis due to the expansion of the mesophase temperatures to a lower temperature region. This study indicates that the bent molecules, even with a large bent angle, have the potential to form a switchable banana phase with a remarkable decrease in its phase temperature range to around 60 °C.

Strong-field ionization of linear molecules by a bicircular laser field: Symmetry considerations

Science.gov (United States)

Gazibegović-Busuladžić, A.; Busuladžić, M.; Hasović, E.; Becker, W.; Milošević, D. B.

2018-04-01

Using the improved molecular strong-field approximation, we investigate (high-order) above-threshold ionization [(H)ATI] of various linear polyatomic molecules by a two-color laser field of frequencies r ω and s ω (with integer numbers r and s ) having coplanar counter-rotating circularly polarized components (a so-called bicircular field). Reflection and rotational symmetries for molecules aligned in the laser-field polarization plane, analyzed for diatomic homonuclear molecules in Phys. Rev. A 95, 033411 (2017), 10.1103/PhysRevA.95.033411, are now considered for diatomic heteronuclear molecules and symmetric and asymmetric linear triatomic molecules. There are additional rotational symmetries for (H)ATI spectra of symmetric linear molecules compared to (H)ATI spectra of the asymmetric ones. It is shown that these symmetries manifest themselves differently for r +s odd and r +s even. For example, HATI spectra for symmetric molecules with r +s even obey inversion symmetry. For ATI spectra of linear molecules, reflection symmetry appears only for certain molecular orientation angles ±90∘-j r 180∘/(r +s ) (j integer). For symmetric linear molecules, reflection symmetry appears also for the angles -j r 180∘/(r +s ) . For perpendicular orientation of molecules with respect to the laser-field polarization plane, the HATI spectra are very similar to those of the atomic targets, i.e., both spectra are characterized by the same type of the (r +s )-fold symmetry.

Non-Polar Natural Products from Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile (Bromeliaceae

Directory of Open Access Journals (Sweden)

Ole Johan Juvik

2017-09-01

Full Text Available Extensive regional droughts are already a major problem on all inhabited continents and severe regional droughts are expected to become an increasing and extended problem in the future. Consequently, extended use of available drought resistant food plants should be encouraged. Bromelia laciniosa, Neoglaziovia variegata and Encholirium spectabile are excellent candidates in that respect because they are established drought resistant edible plants from the semi-arid Caatinga region. From a food safety perspective, increased utilization of these plants would necessitate detailed knowledge about their chemical constituents. However, their chemical compositions have previously not been determined. For the first time, the non-polar constituents of B. laciniosa, N. variegata and E. spectabile have been identified. This is the first thorough report on natural products from N. variegata, E. spectabile, and B. laciniosa. Altogether, 20 non-polar natural products were characterized. The identifications were based on hyphenated gas chromatography-high resolution mass spectrometry (GC-HRMS and supported by 1D and 2D Nuclear Magnetic Resonance (NMR plant metabolomics.

Ellipticity and the offset angle of high harmonics generated by homonuclear diatomic molecules

International Nuclear Information System (INIS)

Odzak, S; Milosevic, D B

2011-01-01

In our recent paper (2010 Phys. Rev. A 82 023412) we introduced a theory of high-order harmonic generation by diatomic molecules exposed to an elliptically polarized laser field and have shown that the nth harmonic emission rate has contributions of the components of the T-matrix element in the direction of the laser-field polarization and in the direction perpendicular to it. Using both components of the T-matrix element we now develop a theoretical approach for calculating ellipticity and the offset angle of high harmonics. We show that the emitted harmonics generated by aligned molecules are elliptically polarized even if the applied field is linearly polarized. Using examples of N 2 , O 2 and Ar 2 molecules we show the existence of extrema and sudden changes of the harmonic ellipticity and the offset angle for particular molecular alignment and explain them by the destructive two-centre interference. Taking into account that the aligned molecules are an anisotropic medium for high harmonic generation, we introduce elliptic dichroism as a measure of this anisotropy, for both components of the T-matrix element. We propose that the measurement of the elliptic dichroism may reveal further information about the molecular structure.

Circular polarization in a non-magnetic resonant tunneling device

Directory of Open Access Journals (Sweden)

Airey Robert

2011-01-01

Full Text Available Abstract We have investigated the polarization-resolved photoluminescence (PL in an asymmetric n-type GaAs/AlAs/GaAlAs resonant tunneling diode under magnetic field parallel to the tunnel current. The quantum well (QW PL presents strong circular polarization (values up to -70% at 19 T. The optical emission from GaAs contact layers shows evidence of highly spin-polarized two-dimensional electron and hole gases which affects the spin polarization of carriers in the QW. However, the circular polarization degree in the QW also depends on various other parameters, including the g-factors of the different layers, the density of carriers along the structure, and the Zeeman and Rashba effects.

Polarized secondary radioactive beams

International Nuclear Information System (INIS)

Zaika, N.I.

1992-01-01

Three methods of polarized radioactive nuclei beam production: a) a method nuclear interaction of the non-polarized or polarized charged projectiles with target nuclei; b) a method of polarization of stopped reaction radioactive products in a special polarized ion source with than following acceleration; c) a polarization of radioactive nuclei circulating in a storage ring are considered. Possible life times of the radioactive ions for these methods are determined. General schemes of the polarization method realizations and depolarization problems are discussed

Membrane Transport across Polarized Epithelia.

Science.gov (United States)

Garcia-Castillo, Maria Daniela; Chinnapen, Daniel J-F; Lencer, Wayne I

2017-09-01

Polarized epithelial cells line diverse surfaces throughout the body forming selective barriers between the external environment and the internal milieu. To cross these epithelial barriers, large solutes and other cargoes must undergo transcytosis, an endocytic pathway unique to polarized cell types, and significant for the development of cell polarity, uptake of viral and bacterial pathogens, transepithelial signaling, and immunoglobulin transport. Here, we review recent advances in our knowledge of the transcytotic pathway for proteins and lipids. We also discuss briefly the promise of harnessing the molecules that undergo transcytosis as vehicles for clinical applications in drug delivery. Copyright © 2017 Cold Spring Harbor Laboratory Press; all rights reserved.

Exciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors.

Science.gov (United States)

Bichenkova, Elena V; Sardarian, Ali R; Wilton, Amanda N; Bonnet, Pascal; Bryce, Richard A; Douglas, Kenneth T

2006-01-21

Organic intramolecular exciplexes, N-(4-dimethylaminobenzyl)-N-(1-pyrenemethyl)amine (1) and N'-4-dimethylaminonaphthyl-N-(1-pyrenemethyl)amine (2), were used as model systems to reveal major factors affecting their exciplex fluorescence, and thus lay the basis for developing emissive target-assembled exciplexes for DNA-mounted systems in solution. These models with an aromatic pyrenyl hydrocarbon moiety as an electron acceptor appropriately connected to an aromatic dimethylamino electron donor component (N,N-dimethylaminophenyl or N,N-dimethylaminonaphthyl) showed strong intramolecular exciplex emission in both non-polar and highly polar solvents. The effect of dielectric constant on the maximum wavelength for exciplex emission was studied, and emission was observed for 1 and 2 over the full range of solvent from non-polar hydrocarbons up to N-methylformamide with a dielectric constant of 182. Quantum yields were determined for these intramolecular exciplexes in a range of solvents relative to that for Hoechst 33,258. Conformational analysis of 1 was performed both computationally and via qualitative 2D NMR using (1)H-NOESY experiments. The results obtained indicated the contribution of pre-folded conformation(s) to the ground state of 1 conducive to exciplex emission. This research provides the initial background for design of self-assembled, DNA-mounted exciplexes and underpins further development of exciplex-based hybridisation bioassays.

Non-Gaussian covariance of CMB B modes of polarization and parameter degradation

International Nuclear Information System (INIS)

Li Chao; Smith, Tristan L.; Cooray, Asantha

2007-01-01

The B-mode polarization lensing signal is a useful probe of the neutrino mass and to a lesser extent the dark energy equation of state as the signal depends on the integrated mass power spectrum between us and the last scattering surface. This lensing B-mode signal, however, is non-Gaussian and the resulting non-Gaussian covariance to the power spectrum could impact cosmological parameter measurements, as correlations between B-mode bins are at a level of 0.1. On the other hand, for temperature and E-mode polarization power spectra, the non-Gaussian covariance is not significant, where we find correlations at the 10 -5 level even for adjacent bins. When the power spectrum is estimated with roughly 5 uniformly spaced bins from l=5 to l=100 and 13 logarithmic uniformly spaced bins from l=100 to l=2000, the resulting degradation on neutrino mass and dark energy equation of state is about a factor of 2 to 3 when compared to the case where statistics are simply considered to be Gaussian. If we increase the total number of bins between l=5 and l=2000 to be about 100, we find that the non-Gaussianities only make a minor difference with less than a few percent correction to uncertainties of most cosmological parameters determined from the data. For Planck, the resulting constraints on the sum of the neutrino masses is σ Σm ν ∼0.2 eV and on the dark energy equation of state parameter we find that σ w ∼0.5. A post-Planck experiment can improve the neutrino mass measurement by a factor of 3 to 4

Simulation of Venus polar vortices with the non-hydrostatic general circulation model

Science.gov (United States)

Rodin, Alexander V.; Mingalev, Oleg; Orlov, Konstantin

2012-07-01

The dynamics of Venus atmosphere in the polar regions presents a challenge for general circulation models. Numerous images and hyperspectral data from Venus Express mission shows that above 60 degrees latitude atmospheric motion is substantially different from that of the tropical and extratropical atmosphere. In particular, extended polar hoods composed presumably of fine haze particles, as well as polar vortices revealing mesoscale wave perturbations with variable zonal wavenumbers, imply the significance of vertical motion in these circulation elements. On these scales, however, hydrostatic balance commonly used in the general circulation models is no longer valid, and vertical forces have to be taken into account to obtain correct wind field. We present the first non-hydrostatic general circulation model of the Venus atmosphere based on the full set of gas dynamics equations. The model uses uniform grid with the resolution of 1.2 degrees in horizontal and 200 m in the vertical direction. Thermal forcing is simulated by means of relaxation approximation with specified thermal profile and time scale. The model takes advantage of hybrid calculations on graphical processors using CUDA technology in order to increase performance. Simulations show that vorticity is concentrated at high latitudes within planetary scale, off-axis vortices, precessing with a period of 30 to 40 days. The scale and position of these vortices coincides with polar hoods observed in the UV images. The regions characterized with high vorticity are surrounded by series of small vortices which may be caused by shear instability of the zonal flow. Vertical velocity component implies that in the central part of high vorticity areas atmospheric flow is downwelling and perturbed by mesoscale waves with zonal wavenumbers 1-4, resembling observed wave structures in the polar vortices. Simulations also show the existence of areas with strong vertical flow, concentrated in spiral branches extending

Polar Lipids of Burkholderia pseudomallei Induce Different Host Immune Responses

Science.gov (United States)

Gonzalez-Juarrero, Mercedes; Mima, Naoko; Trunck, Lily A.; Schweizer, Herbert P.; Bowen, Richard A.; Dascher, Kyle; Mwangi, Waithaka; Eckstein, Torsten M.

2013-01-01

Melioidosis is a disease in tropical and subtropical regions of the world that is caused by Burkholderia pseudomallei. In endemic regions the disease occurs primarily in humans and goats. In the present study, we used the goat as a model to dissect the polar lipids of B. pseudomallei to identify lipid molecules that could be used for adjuvants/vaccines or as diagnostic tools. We showed that the lipidome of B. pseudomallei and its fractions contain several polar lipids with the capacity to elicit different immune responses in goats, namely rhamnolipids and ornithine lipids which induced IFN-γ, whereas phospholipids and an undefined polar lipid induced strong IL-10 secretion in CD4+ T cells. Autologous T cells co-cultured with caprine dendritic cells (cDCs) and polar lipids of B. pseudomallei proliferated and up-regulated the expression of CD25 (IL-2 receptor) molecules. Furthermore, we demonstrated that polar lipids were able to up-regulate CD1w2 antigen expression in cDCs derived from peripheral blood monocytes. Interestingly, the same polar lipids had only little effect on the expression of MHC class II DR antigens in the same caprine dendritic cells. Finally, antibody blocking of the CD1w2 molecules on cDCs resulted in decreased expression for IFN-γ by CD4+ T cells. Altogether, these results showed that polar lipids of B. pseudomallei are recognized by the caprine immune system and that their recognition is primarily mediated by the CD1 antigen cluster. PMID:24260378

Polar lipids of Burkholderia pseudomallei induce different host immune responses.

Directory of Open Access Journals (Sweden)

Mercedes Gonzalez-Juarrero

Full Text Available Melioidosis is a disease in tropical and subtropical regions of the world that is caused by Burkholderia pseudomallei. In endemic regions the disease occurs primarily in humans and goats. In the present study, we used the goat as a model to dissect the polar lipids of B. pseudomallei to identify lipid molecules that could be used for adjuvants/vaccines or as diagnostic tools. We showed that the lipidome of B. pseudomallei and its fractions contain several polar lipids with the capacity to elicit different immune responses in goats, namely rhamnolipids and ornithine lipids which induced IFN-γ, whereas phospholipids and an undefined polar lipid induced strong IL-10 secretion in CD4(+ T cells. Autologous T cells co-cultured with caprine dendritic cells (cDCs and polar lipids of B. pseudomallei proliferated and up-regulated the expression of CD25 (IL-2 receptor molecules. Furthermore, we demonstrated that polar lipids were able to up-regulate CD1w2 antigen expression in cDCs derived from peripheral blood monocytes. Interestingly, the same polar lipids had only little effect on the expression of MHC class II DR antigens in the same caprine dendritic cells. Finally, antibody blocking of the CD1w2 molecules on cDCs resulted in decreased expression for IFN-γ by CD4(+ T cells. Altogether, these results showed that polar lipids of B. pseudomallei are recognized by the caprine immune system and that their recognition is primarily mediated by the CD1 antigen cluster.

Non-equilibrium assembly of microtubules: from molecules to autonomous chemical robots.

Science.gov (United States)

Hess, H; Ross, Jennifer L

2017-09-18

Biological systems have evolved to harness non-equilibrium processes from the molecular to the macro scale. It is currently a grand challenge of chemistry, materials science, and engineering to understand and mimic biological systems that have the ability to autonomously sense stimuli, process these inputs, and respond by performing mechanical work. New chemical systems are responding to the challenge and form the basis for future responsive, adaptive, and active materials. In this article, we describe a particular biochemical-biomechanical network based on the microtubule cytoskeletal filament - itself a non-equilibrium chemical system. We trace the non-equilibrium aspects of the system from molecules to networks and describe how the cell uses this system to perform active work in essential processes. Finally, we discuss how microtubule-based engineered systems can serve as testbeds for autonomous chemical robots composed of biological and synthetic components.

Photoelectron angular distributions from strong-field ionization of oriented molecules

DEFF Research Database (Denmark)

Holmegaard, Lotte; Hansen, Jonas Lerche; Kalhøj, Line

2010-01-01

The combination of ultrafast light sources with detection of molecular-frame photoelectron angular distributions (MFPADs) is setting new standards for detailed interrogation of molecular dynamics. However, until recently measurement of MFPADs relied on determining the molecular orientation after...... ionization, which is limited to species and processes where ionization leads to fragmentation. An alternative is to fix the molecular frame before ionization. The only demonstrations of such spatial orientation involved aligned small linear nonpolar molecules. Here we extend these techniques to the general...... class of polar molecules. Carbonylsulphide and benzonitrile molecules, fixed in space by combined laser and electrostatic fields, are ionized with intense, circularly polarized 30-fs laser pulses. For carbonylsulphide and benzonitrile oriented in one dimension, the MFPADs exhibit pronounced anisotropies...

Conductance mechanism in a linear non-conjugated trimethylsilyl-acetylene molecule: tunneling through localized states

NARCIS (Netherlands)

Petrov, E.G.; Marchenko, A.; Kapitanchuk, O.; Katsonis, Nathalie Hélène; Fichou, D.

2014-01-01

The conductance properties of 1,3-(trimethylsilyl)-1-tridecene-6,12-diyne, a non-conjugated trimethylsil-acetylene molecule have been investigated both experimentally and theoretically. Based on scanning tunnelling spectroscopy experiments, a discussion on the mechanisms controlling the charge

Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

DEFF Research Database (Denmark)

García Lastra, Juan Maria; Rostgaard, Carsten; Rubio, A.

2009-01-01

On the basis of first-principles G0W0 calculations we systematically study how the electronic levels of a benzene molecule are renormalized by substrate polarization when physisorbed on different metallic and semiconducting surfaces. The polarization-induced reduction in the energy gap between oc...... find that error cancellations lead to remarkably good agreement between the G0W0 and Kohn-Sham energies for the occupied orbitals of the adsorbed molecule....

Direct Detection of the Ion Pair to Free Ions Transformation upon Complexation with an Ion Receptor in Non-Polar Solvents by using Conductometry.

Science.gov (United States)

Iseda, Kazuya; Kokado, Kenta; Sada, Kazuki

2018-03-01

In this study, we performed conductometry in various organic solvents to directly detect the transformation from tetrabutylammonium chloride ( TBACl ) ion-pair salt to the free ions through complexation with meso -octamethylcalix[4]pyrrole ( CP ), which is a well-known receptor for chloride anions. In the presence of CP , the conductivity of TBACl increases in various non-polar solvents, indicating that complexation with CP enhances the ionic dissociation of TBACl in such non-polar solvents. In other words, CP recognizes chloride as an ion-paired salt as well as a free anion in non-polar solvents. Additionally, the TBA(CP - Cl ) complex exhibited a considerably lower ion-pairing constant ( K ip ) than TBACl in non-polar solvents, resulting in enhanced conductivity. Based on these findings, we can conclude that complexation of an anion with a hydrophobic anion receptor will be useful for creating functional and stimuli-responsive soft materials in organic solvents using coulombic forces.

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

Energy Technology Data Exchange (ETDEWEB)

Al-Hamdani, Yasmine S. [Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Alfè, Dario [Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT (United Kingdom); Lilienfeld, O. Anatole von [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk [Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

2016-04-21

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparing the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed.

Aligning molecules with intense nonresonant laser fields

DEFF Research Database (Denmark)

Larsen, J.J.; Safvan, C.P.; Sakai, H.

1999-01-01

Molecules in a seeded supersonic beam are aligned by the interaction between an intense nonresonant linearly polarized laser field and the molecular polarizability. We demonstrate the general applicability of the scheme by aligning I2, ICl, CS2, CH3I, and C6H5I molecules. The alignment is probed...... by mass selective two dimensional imaging of the photofragment ions produced by femtosecond laser pulses. Calculations on the degree of alignment of I2 are in good agreement with the experiments. We discuss some future applications of laser aligned molecules....

Communication: Permanent dipoles contribute to electric polarization in chiral NMR spectra

International Nuclear Information System (INIS)

Buckingham, A. David

2014-01-01

Nuclear magnetic resonance spectroscopy is blind to chirality because the spectra of a molecule and its mirror image are identical unless the environment is chiral. However, precessing nuclear magnetic moments in chiral molecules in a strong magnetic field induce an electric polarization through the nuclear magnetic shielding polarizability. This effect is equal and opposite for a molecule and its mirror image but is small and has not yet been observed. It is shown that the permanent electric dipole moment of a chiral molecule is partially oriented through the antisymmetric part of the nuclear magnetic shielding tensor, causing the electric dipole to precess with the nuclear magnetic moment and producing a much larger temperature-dependent electric polarization with better prospects of detection

Observations of Rabi oscillations in a non-polar InGaN quantum dot

Energy Technology Data Exchange (ETDEWEB)

Reid, Benjamin P. L., E-mail: benjamin.reid@physics.ox.ac.uk; Chan, Christopher C. S.; Taylor, Robert A. [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Kocher, Claudius [Department of Physics, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Konstanz University, Konstanz (Germany); Zhu, Tongtong; Oehler, Fabrice; Emery, Robert; Oliver, Rachel A. [Department of Materials Science and Metallurgy, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom)

2014-06-30

Experimental observation of Rabi rotations between an exciton excited state and the crystal ground state in a single non-polar InGaN quantum dot is presented. The exciton excited state energy is determined by photoluminescence excitation spectroscopy using two-photon excitation from a pulsed laser. The population of the exciton excited state is seen to undergo power dependent damped Rabi oscillations.

Observations of Rabi oscillations in a non-polar InGaN quantum dot

International Nuclear Information System (INIS)

Reid, Benjamin P. L.; Chan, Christopher C. S.; Taylor, Robert A.; Kocher, Claudius; Zhu, Tongtong; Oehler, Fabrice; Emery, Robert; Oliver, Rachel A.

2014-01-01

Experimental observation of Rabi rotations between an exciton excited state and the crystal ground state in a single non-polar InGaN quantum dot is presented. The exciton excited state energy is determined by photoluminescence excitation spectroscopy using two-photon excitation from a pulsed laser. The population of the exciton excited state is seen to undergo power dependent damped Rabi oscillations.

Impulsive Laser Induced Alignment of Molecules Dissolved in Helium Nanodroplets

DEFF Research Database (Denmark)

Pentlehner, Dominik; H. Nielsen, Jens; Slenczka, Alkwin

2013-01-01

We show that a 450 fs nonresonant, moderately intense, linearly polarized laser pulse can induce field-free molecular axis alignment of methyliodide (CH3I) molecules dissolved in a helium nanodroplet. Time-resolved measurements reveal rotational dynamics much slower than that of isolated molecules...

Is the polarization of NGC1068 evidence for a non-thermal source

International Nuclear Information System (INIS)

McLean, I.S.; Aspin, C.; Heathcote, S.R.; McCaughrean, M.J.

1983-01-01

NGC1068 is one of the brightest galaxies included by Seyfert in his list of extragalactic objects having compact, luminous nuclei within which broad, high-excitation emission lines occur. It has been the subject of intensive studies at UV, optical, IR and radio wavelengths. Unresolved questions concern the nature and relationship of the sources of the excess flux seen in the UV and IR, their connection with the collimated jets apparent in high-resolution radio maps and their association with the extended region responsible for the broad emission lines. A further question is the location of any dust and its role in modifying the optical and UV spectrum. Observations are reported with two high-resolution optical spectro-polarimeters which throw new light on these questions. From detailed structure found in the linear polarization spectrum of the nucleus it is concluded that dilution by starlight modifies the polarization to an extent not previously appreciated. In fact the polarization of the non-stellar flux in the optical and near IR is approximately independent of wavelength (as expected for synchrotron emission or electron scattering) with a direction orthogonal to that of the radio jets; such an arrangement is reminiscent of certain quasars and radio galaxies. (author)

Bound states and Cooper pairs of molecules in 2D optical lattices bilayer

Energy Technology Data Exchange (ETDEWEB)

Camacho-Guardian, A.; Dominguez-Castro, G.A.; Paredes, R. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico (Mexico)

2016-08-15

We investigate the formation of Cooper pairs, bound dimers and the dimer-dimer elastic scattering of ultracold dipolar Fermi molecules confined in a 2D optical lattice bilayer configuration. While the energy and their associated bound states are determined in a variational way, the correlated two-molecule pair is addressed as in the original Cooper formulation. We demonstrate that the 2D lattice confinement favors the formation of zero center mass momentum bound states. Regarding the Cooper pairs binding energy, this depends on the molecule populations in each layer. Maximum binding energies occur for non-zero (zero) pair momentum when the Fermi system is polarized (unpolarized). We find an analytic expression for the dimer-dimer effective interaction in the deep BEC regime. The present analysis represents a route for addressing the BCS-BEC crossover in dipolar Fermi gases confined in 2D optical lattices within the current experimental panorama. (copyright 2016 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Bistable states of TM polarized non-linear waves guided by symmetric layered structures

International Nuclear Information System (INIS)

Mihalache, D.

1985-04-01

Dispersion relations for TM polarized non-linear waves propagating in a symmetric single film optical waveguide are derived. The system consists of a layer of thickness d with dielectric constant epsilon 1 bounded at two sides by a non-linear medium characterized by the diagonal dielectric tensor epsilon 11 =epsilon 22 =epsilon 0 , epsilon 33 =epsilon 0 +α|E 3 | 2 , where E 3 is the normal electric field component. For sufficiently large d/lambda (lambda is the wavelength) we predict bistable states of both symmetric and antisymmetric modes provided that the power flow is the control parameter. (author)

Modelling Polar Self Assembly

Science.gov (United States)

Olvera de La Cruz, Monica; Sayar, Mehmet; Solis, Francisco J.; Stupp, Samuel I.

2001-03-01

Recent experimental studies in our group have shown that self assembled thin films of noncentrosymmetric supramolecular objects composed of triblock rodcoil molecules exhibit finite polar order. These aggregates have both long range dipolar and short range Ising-like interactions. We study the ground state of a simple model with these competing interactions. We find that the competition between Ising-like and dipolar forces yield a periodic domain structure, which can be controlled by adjusting the force constants and film thickness. When the surface forces are included in the potential, the system exhibits a finite macroscopic polar order.

High-resolution internal state control of ultracold 23Na87Rb molecules

Science.gov (United States)

Guo, Mingyang; Ye, Xin; He, Junyu; Quéméner, Goulven; Wang, Dajun

2018-02-01

We report the full internal state control of ultracold 23Na87Rb molecules, including vibrational, rotational, and hyperfine degrees of freedom. Starting from a sample of weakly bound Feshbach molecules, we realize the creation of molecules in single hyperfine levels of both the rovibrational ground and excited states with a high-efficiency and high-resolution stimulated Raman adiabatic passage. This capability brings broad possibilities for investigating ultracold polar molecules with different chemical reactivities and interactions with a single molecular species. Moreover, starting from the rovibrational and hyperfine ground state, we achieve rotational and hyperfine control with one- and two-photon microwave spectroscopy to reach levels not accessible by the stimulated Raman transfer. The combination of these two techniques results in complete control over the internal state of ultracold polar molecules, which paves the way to study state-dependent molecular collisions and state-controlled chemical reactions.

Plasmonic non-concentric nanorings array as an unidirectional nano-optical conveyor belt actuated by polarization rotation.

Science.gov (United States)

Jiang, Min; Wang, Guanghui; Jiao, Wenxiang; Ying, Zhoufeng; Zou, Ningmu; Ho, Ho-Pui; Sun, Tianyu; Zhang, Xuping

2017-01-15

We report a nano-optical conveyor belt containing an array of gold plasmonic non-concentric nanorings (PNNRs) for the realization of trapping and unidirectional transportation of nanoparticles through rotating the polarization of an excitation beam. The location of hot spots within an asymmetric plasmonic nanostructure is polarization dependent, thus making it possible to manipulate a trapped target by rotating the incident polarization state. In the case of PNNR, the two poles have highly unbalanced trap potential. This greatly enhances the chance of transferring trapped particles between adjacent PNNRs in a given direction through rotating the polarization. As confirmed by three-dimensional finite-difference time-domain analysis, an array of PNNRs forms an unidirectional nano-optical conveyor belt, which delivers target nanoparticles or biomolecules over a long distance with nanometer accuracy. With the capacity to trap and to transfer, our design offers a versatile scheme for conducting mechanical sample manipulation in many on-chip optofluidic applications.

Study of xenon binding in cryptophane-A using laser-induced NMR polarization enhancement

International Nuclear Information System (INIS)

Luhmer, M.; Goodson, B.M.; Song, Y.Q.; Laws, D.D.; Kaiser, L.; Pines, A.; Lawrence Berkeley National Lab., CA

1999-01-01

Xenon is chemically inert, yet exhibits NMR parameters that are highly sensitive to its chemical environment. Considerable work has therefore capitalized on the utility of 129 Xe (I = 1/2) as a magnetic resonance probe of molecules, materials, and biological systems. In solution, spin-polarization transfer between laser-polarized xenon and the hydrogen nuclei of nearby molecules leads to signal enhancements in the resolved 1 H NMR spectrum, offering new opportunities for probing the chemical environment of xenon atoms. Following binding of laser-polarized xenon to molecules of cryptophane-A, selective enhancements of the 1 H NMR signals were observed. A theoretical framework for the interpretation of such experimental results is provided, and the spin polarization-induced nuclear Overhauser effects are shown to yield information about the molecular environment of xenon. The observed selective 1 H enhancements allowed xenon-proton internuclear distances to be estimated. These distances reveal structural characteristics of the complex, including the preferred molecular conformations adopted by cryptophane-A upon binding of xenon

Solvent Dependency of the UV-Vis Spectrum of Indenoisoquinolines: Role of Keto-Oxygens as Polarity Interaction Probes

Science.gov (United States)

Coletta, Andrea; Castelli, Silvia; Chillemi, Giovanni; Sanna, Nico; Cushman, Mark; Pommier, Yves; Desideri, Alessandro

2013-01-01

Indenoisoquinolines are the most promising non-campthotecins topoisomerase IB inhibitors. We present an integrated experimental/computational investigation of the UV-Vis spectra of the IQNs parental compound (NSC314622) and two of its derivatives (NSC724998 and NSC725776) currently undergoing Phase I clinical trials. In all the three compounds a similar dependence of the relative absorption intensities at 270 nm and 290 nm on solvent polarity is found. The keto-oxygens in positions 5 and 11 of the molecular scaffold of the molecule are the principal chromophores involved in this dependence. Protic interactions on these sites are also found to give rise to absorptions at wavelength <250 nm observed in water solution, due to the stabilization of highly polarized tautomers of the molecule. These results suggest that the keto-oxygens are important polarizable groups that can act as useful interactors with the molecular receptor, providing at the same time an useful fingerprint for the monitoring of the drug binding to topoisomerase IB. PMID:24086299

Peculiarities of spin polarization inversion at a thiophene/cobalt interface

KAUST Repository

Wang, Xuhui; Manchon, Aurelien; Schwingenschlö gl, Udo; Zhu, Zhiyong

2013-01-01

We perform ab initio calculations to investigate the spin polarization at the interface between a thiophene molecule and cobalt substrate. We find that the reduced symmetry in the presence of a sulfur atom (in the thiophene molecule) leads to a

Polar and non-polar heterocyclic amines in cooked fish and meat products and their corresponding pan residues.

Science.gov (United States)

Skog, K; Augustsson, K; Steineck, G; Stenberg, M; Jägerstad, M

1997-06-01

Fourteen cooked dishes with their corresponding pan residues were analysed for polar and non-polar heterocyclic amines using HPLC. The choice of foods, including beef, pork, poultry, game, fish, egg and sausages, was based on an investigation of an elderly population in Stockholm participating in an analytical epidemiological case-control study on cancer risks after intake of heterocyclic amines. The food items were prepared using normal household cooking practices, and to reflect the wide range of surface browning of the cooked dishes that would be encountered in this population, four cooking temperatures were used in the range 150-225 degrees C. For all food samples, the total amount of heterocyclic amines formed at 150 degrees C was less than 1 ng/g cooked product, and at 175 degrees C less than 2 ng/g. The highest concentrations of heterocyclic amines were detected in fillet of pork, reindeer meat and chicken breast fried at 200 and 225 degrees C and their corresponding pan residues. The total sum of 2-amino-3,8-dimethylimidazo-[4,5-f]quinoxaline, 2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline and 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine was about 1 microgram per 100 g portion (including pan residues) for reindeer meat and chicken breast, and between 1.9 and 6.3 micrograms per 100-g portion for fillet of pork. PhIP was the most abundant heterocyclic amine, identified in 73 of 84 samples, and the highest concentration of PhIP, 32.0 ng/g, was found in the pan residue from fillet of pork cooked at 225 degrees C. The non-polar heterocyclic amines 3-amino-1,4-dimethyl-5H-pyrido[4,3-b]indole and 3-amino-1-methyl-5H-pyrido[4,3-b]indole were detected in the range of 0.5-7.4 ng/g in most foods cooked at 225 degrees C, and also in meat sauce prepared at 200 and 175 degrees C. The other heterocyclic amines tested for: 2-amino-3-methylimidazo-[4,5-f]quinoline, 2-amino-3,4-dimethylimidazo[4,5-f]quinoline, 2-amino-6-methyl-pyrido-[1,2-a:3',2'-d]-imidazole and 2

Relaxation phenomena of polar non-polar liquid mixtures under low ...

Indian Academy of Sciences (India)

der high-frequency electric field have gained much importance to study the structure as ... Purohit et al [1,2] and Srivastava and Srivastava [3] had measured the real ε¼ ... The cell containing the experimental liquid in a given solvent .... due to inductive, mesomeric and electromeric effects of the substituent polar groups at-.

The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time

Science.gov (United States)

Hu, Xiaohu; Hong, Liang; Dean Smith, Micholas; Neusius, Thomas; Cheng, Xiaolin; Smith, Jeremy C.

2016-02-01

Internal motions of proteins are essential to their function. The time dependence of protein structural fluctuations is highly complex, manifesting subdiffusive, non-exponential behaviour with effective relaxation times existing over many decades in time, from ps up to ~102 s (refs ,,,). Here, using molecular dynamics simulations, we show that, on timescales from 10-12 to 10-5 s, motions in single proteins are self-similar, non-equilibrium and exhibit ageing. The characteristic relaxation time for a distance fluctuation, such as inter-domain motion, is observation-time-dependent, increasing in a simple, power-law fashion, arising from the fractal nature of the topology and geometry of the energy landscape explored. Diffusion over the energy landscape follows a non-ergodic continuous time random walk. Comparison with single-molecule experiments suggests that the non-equilibrium self-similar dynamical behaviour persists up to timescales approaching the in vivo lifespan of individual protein molecules.

Femtosecond spectroscopic study of the solvation of amphiphilic molecules by water

NARCIS (Netherlands)

Rezus, Y.L.A.; Bakker, H.J.

2008-01-01

We use polarization-resolved mid-infrared pump-probe spectroscopy to study the aqueous solvation of proline and N-methylacetamide. These molecules serve as models to study the solvation of proteins. We monitor the orientational dynamics of partly deuterated water molecules (HDO) that are present at

Non-Coding RNAs: Multi-Tasking Molecules in the Cell

Directory of Open Access Journals (Sweden)

Anita Quintal Gomes

2013-07-01

Full Text Available In the last years it has become increasingly clear that the mammalian transcriptome is highly complex and includes a large number of small non-coding RNAs (sncRNAs and long noncoding RNAs (lncRNAs. Here we review the biogenesis pathways of the three classes of sncRNAs, namely short interfering RNAs (siRNAs, microRNAs (miRNAs and PIWI-interacting RNAs (piRNAs. These ncRNAs have been extensively studied and are involved in pathways leading to specific gene silencing and the protection of genomes against virus and transposons, for example. Also, lncRNAs have emerged as pivotal molecules for the transcriptional and post-transcriptional regulation of gene expression which is supported by their tissue-specific expression patterns, subcellular distribution, and developmental regulation. Therefore, we also focus our attention on their role in differentiation and development. SncRNAs and lncRNAs play critical roles in defining DNA methylation patterns, as well as chromatin remodeling thus having a substantial effect in epigenetics. The identification of some overlaps in their biogenesis pathways and functional roles raises the hypothesis that these molecules play concerted functions in vivo, creating complex regulatory networks where cooperation with regulatory proteins is necessary. We also highlighted the implications of biogenesis and gene expression deregulation of sncRNAs and lncRNAs in human diseases like cancer.

Calculation of rate coefficients of some proton-transfer ion-molecule reactions in weakly ionized gases

International Nuclear Information System (INIS)

Stiller, W.

1985-01-01

A classical collision theory is used to describe thermal bimolecular rate coefficeints for reaction between positive and negative ions and polar molecules in a carrier gas. Special attention is paid to ion-molecule reaction in which proton transfer occurs. These reactions play an important role in terrestrial plasma devices, in ionosphere, in planetary atmospheres and in interstellar matter. The equilibrium rate coefficients of the reactions are calculated based on a microscopic reactive cross section derived from a long distance polar molecule-ion potential. The results are compared with experimental values of afterglow measurements. (D.Gy.)

Surface-enhanced resonance Raman scattering spectroscopy of single R6G molecules

Institute of Scientific and Technical Information of China (English)

Zhou Zeng-Hui; Liu Li; Wang Gui-Ying; Xu Zhi-Zhan

2006-01-01

Surface-enhanced resonance Raman scattering (SERRS) of Rhodamine 6G (R6G) adsorbed on colloidal silver clusters has been studied. Based on the great enhancement of the Raman signal and the quench of the fluorescence, the SERRS spectra of R6G were recorded for the samples of dye colloidal solution with different concentrations. Spectral inhomogeneity behaviours from single molecules in the dried sample films were observed with complementary evidences, such as spectral polarization, spectral diffusion, intensity fluctuation of vibrational lines and even "breathing" of the molecules. Sequential spectra observed from a liquid sample with an average of 0.3 dye molecules in the probed volume exhibited the expected Poisson distribution for actually measuring 0, 1 or 2 molecules. Difference between the SERRS spectra of R6G excited by linearly and circularly polarized light were experimentally measured.

Manipulating ultracold polar molecules with microwave radiation: The influence of hyperfine structure

International Nuclear Information System (INIS)

Aldegunde, J.; Hutson, Jeremy M.; Ran Hong

2009-01-01

We calculate the microwave spectra of ultracold 40 K 87 Rb alkali-metal dimers, including hyperfine interactions and in the presence of electric and magnetic fields. We show that microwave transitions may be used to transfer molecules between different hyperfine states, but only because of the presence of nuclear quadrupole interactions. Hyperfine splittings may also complicate the use of ultracold molecules for quantum computing. The spectrum of molecules oriented in electric fields may be simplified dramatically by applying a simultaneous magnetic field.

Infrared and optical polarimetry of the radio elliptical IC 5063 (PKS2048-57): discovery of a highly polarized non-thermal nucleus

Energy Technology Data Exchange (ETDEWEB)

Hough, J H; Brindle, C; Axon, D J; Bailey, J; Sparks, W B

1987-02-15

Two-aperture optical and near-infrared polarization and flux measurements of the radio elliptical galaxy IC 5063 are presented. Analysis of the polarized flux shows that the large infrared excess in the nucleus most likely arises from a steep-spectrum non-thermal source with a polarization of 17 per cent and near-infrared luminosity 6x10/sup 41/ erg s/sup -1/. This result suggests that IC5063 is closely related to the more luminous blazars. The origin of the polarization in the optical is, however, not clear.

Infrared and optical polarimetry of the radio elliptical IC 5063 (PKS2048-57): discovery of a highly polarized non-thermal nucleus

International Nuclear Information System (INIS)

Hough, J.H.; Brindle, C.; Axon, D.J.; Bailey, J.; Sparks, W.B.

1987-01-01

Two-aperture optical and near-infrared polarization and flux measurements of the radio elliptical galaxy IC 5063 are presented. Analysis of the polarized flux shows that the large infrared excess in the nucleus most likely arises from a steep-spectrum non-thermal source with a polarization of 17 per cent and near-infrared luminosity 6x10 41 erg s -1 . This result suggests that IC5063 is closely related to the more luminous blazars. The origin of the polarization in the optical is, however, not clear. (author)

Production, Manipulation, and Applications of Ultracold Polar Molecules

Science.gov (United States)

2015-04-30

were added to the MURI, and in some cases , the experiments were carried out on different molecules than originally stated (e.g., laser cooling and...interactions between like homonuclear alkali metal diatoms. J. Chem. Phys., 135:244307, 2011. [21] Jason N. Byrd, H. Harvey Michels, Jr. John A. Montgomery...111:1, 2013. [35] M. I. Fabrikant, Tian Li, N. J. Fitch, N. Farrow, Jonathan D. Weinstein , and H. J. Lewandowski. Method for traveling-wave

Concentration polarization in nanochannel DNA electrophoresis

NARCIS (Netherlands)

Dubsky, P.; Das, Siddhartha; van den Berg, Albert; Eijkel, Jan C.T.

2011-01-01

We demonstrate that the large field electrophoresis of a single DNA molecule in nanofluidic systems is accompanied by concentration polarization. We illustrate this phenomena by utilizing our electrophoretic simulation tool SIMUL. First we in-vestigate a simple system with univalent strong

Polarization Dependent Dynamics of CO2 Trapped in AN Optical Centrifuge

Science.gov (United States)

Toro, Carlos; Echebiri, Geraldine; Liu, Qingnan; Mullin, Amy S.

2012-06-01

An optical centrifuge (Yuan {et al}. {PNAS} 2011, 108, 6872) has been employed to prepare carbon dioxide molecules in very high rotational states (``hot'' rotors, J ˜220) in order to investigate how collisions relax ensembles of molecules with an overall angular momentum that is spatially oriented. We have performed polarization-dependent high resolution transient IR absorption measurements to study the spatial dependence of the relaxation dynamics. Our results show that the net angular momentum of the initially centrifuged molecules persists for at least 10 gas kinetic collisions and that the translational energy distributions are dependent on the probe orientation and polarization. These studies indicate that the centrifuged molecules tend to maintain the orientation of their initial angular momentum for the first set of collisions and that relatively large changes in J are involved in the first collisions.

High molecular weight non-polar hydrocarbons as pure model substances and in motor oil samples can be ionized without fragmentation by atmospheric pressure chemical ionization mass spectrometry.

Science.gov (United States)

Hourani, Nadim; Kuhnert, Nikolai

2012-10-15

High molecular weight non-polar hydrocarbons are still difficult to detect by mass spectrometry. Although several studies have targeted this problem, lack of good self-ionization has limited the ability of mass spectrometry to examine these hydrocarbons. Failure to control ion generation in the atmospheric pressure chemical ionization (APCI) source hampers the detection of intact stable gas-phase ions of non-polar hydrocarbon in mass spectrometry. Seventeen non-volatile non-polar hydrocarbons, reported to be difficult to ionize, were examined by an optimized APCI methodology using nitrogen as the reagent gas. All these analytes were successfully ionized as abundant and intact stable [M-H](+) ions without the use of any derivatization or adduct chemistry and without significant fragmentation. Application of the method to real-life hydrocarbon mixtures like light shredder waste and car motor oil was demonstrated. Despite numerous reports to the contrary, it is possible to ionize high molecular weight non-polar hydrocarbons by APCI, omitting the use of additives. This finding represents a significant step towards extending the applicability of mass spectrometry to non-polar hydrocarbon analyses in crude oil, petrochemical products, waste or food. Copyright © 2012 John Wiley & Sons, Ltd.

Passive technologies for future large-scale photonic integrated circuits on silicon: polarization handling, light non-reciprocity and loss reduction

Directory of Open Access Journals (Sweden)

Daoxin Dai

2012-03-01

Full Text Available Silicon-based large-scale photonic integrated circuits are becoming important, due to the need for higher complexity and lower cost for optical transmitters, receivers and optical buffers. In this paper, passive technologies for large-scale photonic integrated circuits are described, including polarization handling, light non-reciprocity and loss reduction. The design rule for polarization beam splitters based on asymmetrical directional couplers is summarized and several novel designs for ultra-short polarization beam splitters are reviewed. A novel concept for realizing a polarization splitter–rotator is presented with a very simple fabrication process. Realization of silicon-based light non-reciprocity devices (e.g., optical isolator, which is very important for transmitters to avoid sensitivity to reflections, is also demonstrated with the help of magneto-optical material by the bonding technology. Low-loss waveguides are another important technology for large-scale photonic integrated circuits. Ultra-low loss optical waveguides are achieved by designing a Si3N4 core with a very high aspect ratio. The loss is reduced further to <0.1 dB m−1 with an improved fabrication process incorporating a high-quality thermal oxide upper cladding by means of wafer bonding. With the developed ultra-low loss Si3N4 optical waveguides, some devices are also demonstrated, including ultra-high-Q ring resonators, low-loss arrayed-waveguide grating (demultiplexers, and high-extinction-ratio polarizers.

MCSCF wave functions for excited states of polar molecules - Application to BeO. [Multi-Configuration Self-Consistent Field

Science.gov (United States)

Bauschlicher, C. W., Jr.; Yarkony, D. R.

1980-01-01

A previously reported multi-configuration self-consistent field (MCSCF) algorithm based on the generalized Brillouin theorem is extended in order to treat the excited states of polar molecules. In particular, the algorithm takes into account the proper treatment of nonorthogonality in the space of single excitations and invokes, when necessary, a constrained optimization procedure to prevent the variational collapse of excited states. In addition, a configuration selection scheme (suitable for use in conjunction with extended configuration interaction methods) is proposed for the MCSCF procedure. The algorithm is used to study the low-lying singlet states of BeO, a system which has not previously been studied using an MCSCF procedure. MCSCF wave functions are obtained for three 1 Sigma + and two 1 Pi states. The 1 Sigma + results are juxtaposed with comparable results for MgO in order to assess the generality of the description presented here.

Promoting Diversity Through Polar Interdisciplinary Coordinated Education (Polar ICE)

Science.gov (United States)

McDonnell, J. D.; Hotaling, L. A.; Garza, C.; Van Dyk, P. B.; Hunter-thomson, K. I.; Middendorf, J.; Daniel, A.; Matsumoto, G. I.; Schofield, O.

2017-12-01

Polar Interdisciplinary Coordinated Education (ICE) is an education and outreach program designed to provide public access to the Antarctic and Arctic regions through polar data and interactions with the scientists. The program provides multi-faceted science communication training for early career scientists that consist of a face-to face workshop and opportunities to apply these skills. The key components of the scientist training workshop include cultural competency training, deconstructing/decoding science for non-expert audiences, the art of telling science stories, and networking with members of the education and outreach community and reflecting on communication skills. Scientists partner with educators to provide professional development for K-12 educators and support for student research symposia. Polar ICE has initiated a Polar Literacy initiative that provides both a grounding in big ideas in polar science and science communication training designed to underscore the importance of the Polar Regions to the public while promoting interdisciplinary collaborations between scientists and educators. Our ultimate objective is to promote STEM identity through professional development of scientists and educators while developing career awareness of STEM pathways in Polar science.

Spin-polarized tunneling through a ferromagnetic insulator

NARCIS (Netherlands)

Kok, M.; Kok, M.; Beukers, J.N.; Brinkman, Alexander

2009-01-01

The polarization of the tunnel conductance of spin-selective ferromagnetic insulators is modeled, providing a generalized concept of polarization including both the effects of electrode and barrier polarization. The polarization model is extended to take additional non-spin-polarizing insulating

A high volume, batch mode {sup 129}Xe polarizer

Energy Technology Data Exchange (ETDEWEB)

Wojna-Pelczar, Anna, E-mail: anna.wojna.pelczar@mail.muni.cz [Central European Institute of Technology, Masaryk University, Brno (Czech Republic); Formerly: Marian Smoluchowski Institute of Physics, Jagiellonian University, Kraków (Poland); Pałasz, Tadeusz [Marian Smoluchowski Institute of Physics, Jagiellonian University, Kraków (Poland)

2017-06-01

Numerous designs of optical gas polarizers have been proposed, broadening possible applications of the hyperpolarized gases as contrast agents in magnetic resonance imaging. We present a home–made {sup 129}Xe polarizer based on the spin exchange optical pumping method. The polarizer operates under 1 bar of the gas mixture (at the maximum temperature of 160 °C) in a high volume optical cell (5025 cm{sup 3}). Approximately 100 cm{sup 3} of {sup 129}Xe polarized at 1.50±0.37% is produced in a single cycle of polarization. Operation under standard pressure imposes polarization transfer mainly via van der Waals molecules, resulting in the efficient spin exchange between rubidium and {sup 129}Xe atoms. The design, construction and operation of the polarizer are described in details.

Augmented-plane-wave calculations on small molecules

International Nuclear Information System (INIS)

Serena, P.A.; Baratoff, A.; Soler, J.M.

1993-01-01

We have performed ab initio calculations on a wide range of small molecules, demonstrating the accuracy and flexibility of an alternative method for calculating the electronic structure of molecules, solids, and surfaces. It is based on the local-density approximation (LDA) for exchange and correlation and the nonlinear augmented-plane-wave method. Very accurate atomic forces are obtained directly. This allows for implementation of Car-Parrinello-like techniques to determine simultaneously the self-consistent electron wave functions and the equilibrium atomic positions within an iterative scheme. We find excellent agreement with the best existing LDA-based calculations and remarkable agreement with experiment for the equilibrium geometries, vibrational frequencies, and dipole moments of a wide variety of molecules, including strongly bound homopolar and polar molecules, hydrogen-bound and electron-deficient molecules, and weakly bound alkali and noble-metal dimers, although binding energies are overestimated

Controlling the alignment of neutral molecules by a strong laser field

DEFF Research Database (Denmark)

Sakai, H.; Hilligsøe, Karen Marie; Hald, K.

1999-01-01

by lowering the initial rotational energy of the molecules or by increasing the laser intensity. The alignment is measured by photodissociating the molecules with a femtosecond laser pulse and detecting the direction of the photofragments by imaging techniques. The strongest degree of alignment observed......A strong nonresonant nanosecond laser pulse is used to align neutral iodine molecules. The technique, applicable to both polar and nonpolar molecules, relies on the interaction between the strong laser field and the induced dipole moment of the molecules. The degree of alignment is enhanced...

Circular polarization of gravitational waves from non-rotating supernova cores: a new probe into the pre-explosion hydrodynamics

Science.gov (United States)

Hayama, Kazuhiro; Kuroda, Takami; Kotake, Kei; Takiwaki, Tomoya

2018-06-01

We present an analysis of the circular polarization of gravitational waves (GWs) using results from three-dimensional (3D), general relativistic (GR) core-collapse simulations of a non-rotating 15 M⊙ star. For the signal detection, we perform a coherent network analysis taking into account the four interferometers of LIGO Hanford, LIGO Livingston, VIRGO, and KAGRA. We focus on the Stokes V parameter, which directly characterizes the asymmetry of the GW circular polarization. We find that the amplitude of the GW polarization becomes bigger for our 3D-GR model that exhibits strong activity of the standing accretion shock instability (SASI). Our results suggest that the SASI-induced accretion flows to the proto-neutron star (PNS) lead to a characteristic, low-frequency modulation (100-200 Hz) in both the waveform and the GW circular polarization. By estimating the signal-to-noise ratio of the GW polarization, we demonstrate that the detection horizon of the circular polarization extends by more than a factor of several times farther comparing to that of the GW amplitude. Our results suggest that the GW circular polarization, if detected, could provide a new probe into the pre-explosion hydrodynamics such as the SASI activity and the g-mode oscillation of the PNS.

Circular polarization of gravitational waves from non-rotating supernova cores: a new probe into the pre-explosion hydrodynamics

Science.gov (United States)

Hayama, Kazuhiro; Kuroda, Takami; Kotake, Kei; Takiwaki, Tomoya

2018-04-01

We present an analysis of the circular polarization of gravitational-waves (GWs) using results from three-dimensional (3D), general relativistic (GR) core-collapse simulations of a non-rotating 15M⊙ star. For the signal detection, we perform a coherent network analysis taking into account the four interferometers of LIGO Hanford, LIGO Livingston, VIRGO, and KAGRA. We focus on the Stokes V parameter, which directly characterizes the asymmetry of the GW circular polarization. We find that the amplitude of the GW polarization becomes bigger for our 3D-GR model that exhibits strong activity of the standing accretion shock instability (SASI). Our results suggest that the SASI-induced accretion flows to the proto-neutron star (PNS) lead to a characteristic, low-frequency modulation (100 ˜ 200 Hz) in both the waveform and the GW circular polarization. By estimating the signal-to-noise ratio of the GW polarization, we demonstrate that the detection horizon of the circular polarization extends by more than a factor of several times farther comparing to that of the GW amplitude. Our results suggest that the GW circular polarization, if detected, could provide a new probe into the pre-explosion hydrodynamics such as the SASI activity and the g-mode oscillation of the PNS.

Organic molecules in the polar ice: from chemical analysis to environmental proxies

Science.gov (United States)

Barbante, Carlo; Zennaro, Piero; Giorio, Chiara; Kehrwald, Natalie; Benton, Alisa K.; Wolff, Eric W.; Kalberer, Markus; Kirchgeorg, Torben; Zangrando, Roberta; Barbaro, Elena; Gambaro, Andrea

2015-04-01

The molecular and isotopic compositions of organic matter buried in ice contains information that helps reconstruct past environmental conditions, evaluate histories of climate change, and assess impacts of humans on ecosystems. In recent years novel analytical techniques were developed to quantify molecular compounds in ice cores. As an example, biomass burning markers, including monosaccharide anhydrides, lightweight carboxylic acids, lignin and resin pyrolysis products, black carbon, and charcoal records help in reconstructing past fire activity across seasonal to millennial time scales. Terrestrial biomarkers, such as plant waxes (e.g. long-chain n-alkanes) are also a promising paleo vegetation proxy in ice core studies. Polycyclic aromatic hydrocarbons are ubiquitous pollutants recently detected in ice cores. These hydrocarbons primarily originate from incomplete combustion of organic matter and fossil fuels (e.g. diesel engines, domestic heating, industrial combustion) and therefore can be tracers of past combustion activities. In order to be suitable for paloeclimate purposes, organic molecular markers detected in ice cores should include the following important features. Markers have to be stable under oxidizing atmospheric conditions, and ideally should not react with hydroxyl radicals, during their transport to polar regions. Organic markers must be released in large amounts in order to be detected at remote distances from the sources. Proxies must be specific, in order to differentiate them from other markers with multiple sources. The extraction of glaciochemical information from ice cores is challenging due to the low concentrations of some impurities, thereby demanding rigorous control of external contamination sources and sensitive analytical techniques. Here, we review the analysis and use of organic molecules in ice as proxies of important environmental and climatic processes.

Non-invasive detection of candidate pregnancy protein biomarkers in the feces of captive polar bears (Ursus maritimus).

Science.gov (United States)

Curry, E; Stoops, M A; Roth, T L

2012-07-15

Currently, there is no method of accurately and non-invasively diagnosing pregnancy in polar bears. Specific proteins may exhibit altered profiles in the feces of pregnant bears, but predicting appropriate candidate proteins to investigate is speculative at best. The objective of this study was to identify potential pregnancy biomarker proteins based on their increased abundance in the feces of pregnant polar bears compared to pseudopregnant females (controls) using two-dimensional in-gel electrophoresis (2D-DIGE) and mass spectrometry (MS). Three 2D-DIGE gels were performed to evaluate fecal protein profiles from controls (n=3) and pregnant polar bears (n=3). There were 2224.67±52.39 (mean±SEM) spots resolved per gel. Of these, only five proteins were elevated in the pregnant group (P99.9% confidence interval. The 11 spots represented seven distinct proteins, five of which were significantly more abundant in the pregnant group: IgGFc-binding protein, filamin-C, carboxypeptidase B, transthyretin, and immunoglobulin heavy chain variable region. To our knowledge, this was the first study that employed 2D-DIGE to identify differentially expressed proteins in fecal samples to characterize a physiological condition other than those related to gastrointestinal disorders. These promising results provided a strong foundation for ensuing efforts to develop a non-invasive pregnancy assay for use in both captive and wild polar bears. Copyright © 2012 Elsevier Inc. All rights reserved.

Molecular polarization potential maps of the nucleic acid bases

International Nuclear Information System (INIS)

Alkorta, I.; Perez, J.J.

1996-01-01

Ab initio calculations at the SCF level were carried out to compute the polarization potential map NM of the nucleic acid bases: cytosine, thymine, uracil, adedine, and guanine. For this purpose, the Dunning's 9s5p basis set contracted to a split-valence, was selected to perform the calculations. The molecular polarization potential (MPP) at each point was evaluated by the difference between the interaction energy of the molecule with a unit point charge and the molecular electrostatic potential (MEP) at that point. MEPS and MPPS for the different molecules were computed with a density of 5 points/Angstrom 2 on the van der Waals surface of each molecule, defined using the van der Waals radii. Due to the symmetry of the molecules, only half the points were computed. The total number of points calculated was 558 for cytosine, 621 for thymine, 526 for uracil, 666 for adenine, and 699 for guanine. The results of these calculations are analyzed in terms of their implications on the molecular interactions between pairs of nucleic acid bases. 23 refs., 5 figs., 1 tab

AGOA: A Hydration Procedure and Its Application to the 1-Phenyl-beta-Carboline Molecule

OpenAIRE

Hernandes, Marcelo Z.; Silva, João B. P. da; Longo, Ricardo L.

2002-01-01

A new procedure, named AGOA, has been developed and implemented in a computer program written in FORTRAN 77 to explore the hydration structures of polar solutes using its molecular electrostatic potential (MEP). This procedure can be generalized to polar solvents other than water. It has been tested for several small molecules, and applied to complex molecules of pharmacological interest, such as the beta-carbolinic systems derived from indole. This is a stringent, but not general, test of th...

Absolute fragmentation cross sections in atom-molecule collisions: Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules

Energy Technology Data Exchange (ETDEWEB)

Chen, T.; Gatchell, M.; Stockett, M. H.; Alexander, J. D.; Schmidt, H. T.; Cederquist, H.; Zettergren, H., E-mail: henning@fysik.su.se [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Zhang, Y. [Department of Mathematics, Faculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow (Russian Federation); Rousseau, P.; Maclot, S.; Delaunay, R.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen Cedex 05 (France); Université de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Domaracka, A.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen Cedex 05 (France); Schlathölter, T. [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands)

2014-06-14

We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH{sup +}) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections (including statistical fragmentation) for 110 eV PAH/PAH{sup +} + He collisions, and show that they compare well with experimental results. We demonstrate that non-statistical fragmentation becomes dominant for large PAHs and that it yields highly reactive fragments forming strong covalent bonds with atoms (H and N) and molecules (C{sub 6}H{sub 5}). Thus nonstatistical fragmentation may be an effective initial step in the formation of, e.g., Polycyclic Aromatic Nitrogen Heterocycles (PANHs). This relates to recent discussions on the evolution of PAHNs in space and the reactivities of defect graphene structures.

Technetium-99m labelled N,N-ethyldithiocarbamate, a non-polar complex with slow hepatic clearance

International Nuclear Information System (INIS)

Pojer, P.M.; Baldas, J.

1980-05-01

A sup(99m)Tc-N,N-diethyldithiocarbamate (DDC) complex was prepared using formamidine sulphinic acid as the reducing agent for pertechnetate sup(99m) Tc. The complex was found to be non-polar. In mice the complex localised in the liver and intestines. Urinary excretion was very low and hepatic clearance relatively slow

Recombination dynamics of excitons with low non-radiative component in semi-polar (10-11)-oriented GaN/AlGaN multiple quantum wells

Science.gov (United States)

Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B.; Izyumskaya, N.; Monavarian, M.; Zhang, F.; Okur, S.; Avrutin, V.; Özgür, Ü.; Morkoç, H.

2014-09-01

Optical properties of GaN/Al0.2Ga0.8N multiple quantum wells grown with semi-polar (10-11) orientation on patterned 7°-off Si (001) substrates have been investigated. Studies performed at 8 K reveal the in-plane anisotropic behavior of the QW photoluminescence (PL) intensity for this semi-polar orientation. The time resolved PL measurements were carried out in the temperature range from 8 to 295 K to deduce the effective recombination decay times, with respective radiative and non-radiative contributions. The non-radiative component remains relatively weak with increasing temperature, indicative of high crystalline quality. The radiative decay time is a consequence of contribution from both localized and free excitons. We report an effective density of interfacial defects of 2.3 × 1012 cm-2 and a radiative recombination time of τloc = 355 ps for the localized excitons. This latter value is significantly larger than those reported for the non-polar structures, which we attribute to the presence of a weak residual electric field in the semi-polar QW layers.

Polarized light modulates light-dependent magnetic compass orientation in birds

Science.gov (United States)

Muheim, Rachel; Sjöberg, Sissel; Pinzon-Rodriguez, Atticus

2016-01-01

Magnetoreception of the light-dependent magnetic compass in birds is suggested to be mediated by a radical-pair mechanism taking place in the avian retina. Biophysical models on magnetic field effects on radical pairs generally assume that the light activating the magnetoreceptor molecules is nondirectional and unpolarized, and that light absorption is isotropic. However, natural skylight enters the avian retina unidirectionally, through the cornea and the lens, and is often partially polarized. In addition, cryptochromes, the putative magnetoreceptor molecules, absorb light anisotropically, i.e., they preferentially absorb light of a specific direction and polarization, implying that the light-dependent magnetic compass is intrinsically polarization sensitive. To test putative interactions between the avian magnetic compass and polarized light, we developed a spatial orientation assay and trained zebra finches to magnetic and/or overhead polarized light cues in a four-arm “plus” maze. The birds did not use overhead polarized light near the zenith for sky compass orientation. Instead, overhead polarized light modulated light-dependent magnetic compass orientation, i.e., how the birds perceive the magnetic field. Birds were well oriented when tested with the polarized light axis aligned parallel to the magnetic field. When the polarized light axis was aligned perpendicular to the magnetic field, the birds became disoriented. These findings are the first behavioral evidence to our knowledge for a direct interaction between polarized light and the light-dependent magnetic compass in an animal. They reveal a fundamentally new property of the radical pair-based magnetoreceptor with key implications for how birds and other animals perceive the Earth’s magnetic field. PMID:26811473

Correlated, Static and Dynamic Polarizabilities of Small Molecules. Comparison of Four "Black Box" Methods

DEFF Research Database (Denmark)

Dalskov, Erik K.; Sauer, Stephan P. A.

1998-01-01

Molecular static and dynamic polarizabilities for thirteen small molecules have been calculated using four "black box" ab initio methods, the random phase approximation, RPA, the second-order polarization propagator approximation, SOPPA, the second-order polarization propagator approximation...

Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390 (United States)

2015-12-07

We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence of a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.

Concave pulse shaping of a circularly polarized laser pulse from non-uniform overdense plasmas

Energy Technology Data Exchange (ETDEWEB)

Hur, Min Sup [School of Natural Science, UNIST, BanYeon-Ri 100, Ulju-gun, Ulsan, 689-798 (Korea, Republic of); Kulagin, Victor V. [Sternberg Astronomical Institute, Moscow State University, Universitetsky prosp. 13, Moscow, 119992 (Russian Federation); Suk, Hyyong, E-mail: hysuk@gist.ac.kr [Department of Physics and Photon Science, GIST, 123 Cheomdan-gwangiro, Buk-gu, Gwangju, 500-712 (Korea, Republic of)

2015-03-20

Pulse shaping of circularly polarized laser pulses in nonuniform overdense plasmas are investigated numerically. Specifically we show by two-dimensional particle-in-cell simulations the generation of a concave pulse front of a circularly polarized, a few tens of petawatt laser pulse from a density-tapered, overdense plasma slab. The concept used for the transverse-directional shaping is the differential transmittance depending on the plasma density, and the laser intensity. For suitable selection of the slab parameters for the concave pulse shaping, we studied numerically the pulse transmittance, which can be used for further parameter design of the pulse shaping. The concavely shaped circularly polarized pulse is expected to add more freedom in controlling the ion-beam characteristics in the RPDA regime. - Highlights: • Laser pulse shaping for a concave front by non-uniform overdense plasma was studied. • Particle-in-cell (PIC) simulations were used for the investigation. • A laser pulse can be shaped by a density-tapered overdense plasma. • The concave and sharp pulse front are useful in many laser–plasma applications. • They are important for ion acceleration, especially in the radiation pressure dominant regime.

Uni- and tridimensional alignment of molecules by femto-second laser pulse

International Nuclear Information System (INIS)

Rouzee, Arnaud

2007-01-01

This thesis is devoted to the study of the alignment of linear and asymmetric top molecules generated by an intense laser pulse. In the case of short pulses with respect to molecular rotation, periodic alignment appears in field-free conditions after the extinction of the field. We study theoretically and experimentally the effects of intensity, temperature and polarization of the electric field on produced alignment. If the field is linearly polarized, the interaction leads to the alignment of the most polarizable axis of the molecule. If the field is elliptically polarized, the pulse can generate a simultaneous alignment of the three principal axes of inertia of an asymmetric top molecule (3-D alignment). This alignment can be characterized experimentally using pump-probe techniques which exploit the optical properties of the medium. They require the use of a second pulse of low intensity temporally delayed. Three techniques were exploited during this thesis. The first technique measures a depolarization due to the birefringence of the medium when the molecules are aligned. The second is based on the defocusing of the pulse on a gradient of index created following the space variation of alignment with respect to the spatial profile of the field. The last involves the creation of a grading of index to the intersection of two intense pulses, which causes the diffraction of the probe. Finally, we show experimentally that the birefringence technique can be used to quantify the 3-D alignment of an asymmetric top molecule like ethylene. (author) [fr

[A non-invasive glucose measurement method based on orthogonal twin-polarized light and its pilot experimental investigation].

Science.gov (United States)

Wang, Hong; Wu, Baoming; Liu, Ding

2010-04-01

In order to overcome the existing shortcomings of the non-invasive blood glucose polarized light measurement methods of optical heterodyne detection and direct detection, we present in this paper a new orthogonal twin-polarized light (OTPL) non-invasive blood glucose measurement method, which converts the micro-angle rotated by an optical active substance such as glucose to the energy difference of OTPL, amplifies the signals by the high-sensitivity lock-in amplifier made of relevant principle, controls Faraday coil current to compensate the changes in deflection angle caused by blood glucose, and makes use of the linear relationship between blood glucose concentration and Faraday coil current to calculate blood glucose concentration. In our comparative experiment using the data measured by LX-20 automatic biochemical analyzer as a standard, a 0.9777 correlation coefficient is obtained in glucose concentration experiment, and a 0.952 in serum experiment. The result shows that this method has higher detection sensitivity and accuracy and lays a foundation for the development of practical new type of non-invasive blood glucose tester for diabetic patients.

Coherent Bichromatic Force Deflection of Molecules

Science.gov (United States)

Kozyryev, Ivan; Baum, Louis; Aldridge, Leland; Yu, Phelan; Eyler, Edward E.; Doyle, John M.

2018-02-01

We demonstrate the effect of the coherent optical bichromatic force on a molecule, the polar free radical strontium monohydroxide (SrOH). A dual-frequency retroreflected laser beam addressing the X˜2Σ+↔A˜2Π1 /2 electronic transition coherently imparts momentum onto a cryogenic beam of SrOH. This directional photon exchange creates a bichromatic force that transversely deflects the molecules. By adjusting the relative phase between the forward and counterpropagating laser beams we reverse the direction of the applied force. A momentum transfer of 70 ℏk is achieved with minimal loss of molecules to dark states. Modeling of the bichromatic force is performed via direct numerical solution of the time-dependent density matrix and is compared with experimental observations. Our results open the door to further coherent manipulation of molecular motion, including the efficient optical deceleration of diatomic and polyatomic molecules with complex level structures.

Theoretical-experimental study of the non-thermal effects of the polarized laser radiation in living tissues

International Nuclear Information System (INIS)

Ribeiro, M.S.

1991-01-01

In the present research we had as a fundamental objective to analyse the non-thermal effects of the laser polarized light in biological tissues. These effects were performed with low power laser output. The theoretical procedure consisted in looking for a simple model which connects the effect of light polarized with microscopically rough tissues using well established physical concepts. Experimentally, we created artificial wounds on the back of animals using liquid nitrogen (this method was chosen because it does not interfere in the biochemistry of the animal tissue). For the wound irradiation we have utilized a He-Ne attached to an optical system. (author)

Scattering with polarized neutrons

International Nuclear Information System (INIS)

Schweizer, J.

2007-01-01

In the history of neutron scattering, it was shown very soon that the use of polarized neutron beams brings much more information than usual scattering with unpolarized neutrons. We shall develop here the different scattering methods that imply polarized neutrons: 1) polarized beams without polarization analysis, the flipping ratio method; 2) polarized beams with a uniaxial polarization analysis; 3) polarized beams with a spherical polarization analysis. For all these scattering methods, we shall give examples of the physical problems which can been solved by these methods, particularly in the field of magnetism: investigation of complex magnetic structures, investigation of spin or magnetization densities in metals, insulators and molecular compounds, separation of magnetic and nuclear scattering, investigation of magnetic properties of liquids and amorphous materials and even, for non magnetic material, separation between coherent and incoherent scattering. (author)

Nonclassical polarization effects in fluorescence emission spectra from microdroplets

Science.gov (United States)

Arnold, S.; Goddard, N. L.; Hill, S. C.

1999-12-01

We report a pronounced nonclassical polarization effect on the shape of fluorescence emission spectra from isolated microdroplets containing a dilute solution of soluble fluors or a dilute layer of surfactant fluors. We see different spectral shapes for 90° scattering when comparing between IVV, IVH, IHH, IHV. However, we measure the largest difference in spectral shape in the surfactant case, with the incident polarization directed toward the detector (IHV vs IHH). Imaging reveals that the emission in this case principally arises from two distinct regions near the surface of the droplet, which are diametrically opposed and along the axis of the incident laser beam. The effect appears to be the direct result of coupling between molecular emission moments and electromagnetic modes of the droplet. It is not the molecule which radiates but the molecule microvessel. Directional emission is sensitive to the polarization of the electromagnetic mode which is stimulated by the coupling.

Basicity comparison for di-substituted 4-nitropyridine derivatives in polar non-aqueous media

International Nuclear Information System (INIS)

Gurzynski, Lukasz; Puszko, Aniela; Chmurzynski, Lech

2007-01-01

Acid dissociation, as well as cationic homoconjugation equilibria have been studied potentiometrically in systems involving four di-substituted 4-nitropyridines and conjugate cationic acids in the polar non-aqueous solvents - aprotic protophobic acetonitrile (AN) and propylene carbonate (PC), the amphiprotic methanol (MeOH), and in the aprotic protophilic dimethyl sulfoxide (DMSO). The influence of solvent effect on the obtained acidity constants has been discussed. The acidity constants (expressed as pK a values) were compared with those previously determined in another polar protophobic aprotic solvent - acetone (AC), and obtained for the unsubstituted pyridine (Py). A comparison of the acid dissociation constants determined in all media studied has proved that the strength of the cationic acids increases on going from acetonitrile through propylene carbonate, acetone, and methanol to dimethyl sulfoxide. Furthermore, the values of acidity constants in the non-aqueous media have shown that in all the solvents studied they change according to the substituent effects. It has been also found that substituted 4-nitropyridine derivatives studied exhibit no tendency towards cationic homoconjugation in acetonitrile, propylene carbonate, and methanol and dimethyl sulfoxide. Moreover, it has been demonstrated that the acid dissociation constants determined by potentiometric titration method in all the solutions investigated correlate well with the calculated energy parameters of the protonation reactions in the gaseous phase

Basicity comparison for di-substituted 4-nitropyridine derivatives in polar non-aqueous media

Energy Technology Data Exchange (ETDEWEB)

Gurzynski, Lukasz [Department of General and Inorganic Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Puszko, Aniela [Department of Organic Chemistry, School of Economics, Wroclaw (Poland); Chmurzynski, Lech [Department of General and Inorganic Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)], E-mail: lech@chemik.chem.univ.gda.pl

2007-12-15

Acid dissociation, as well as cationic homoconjugation equilibria have been studied potentiometrically in systems involving four di-substituted 4-nitropyridines and conjugate cationic acids in the polar non-aqueous solvents - aprotic protophobic acetonitrile (AN) and propylene carbonate (PC), the amphiprotic methanol (MeOH), and in the aprotic protophilic dimethyl sulfoxide (DMSO). The influence of solvent effect on the obtained acidity constants has been discussed. The acidity constants (expressed as pK{sub a} values) were compared with those previously determined in another polar protophobic aprotic solvent - acetone (AC), and obtained for the unsubstituted pyridine (Py). A comparison of the acid dissociation constants determined in all media studied has proved that the strength of the cationic acids increases on going from acetonitrile through propylene carbonate, acetone, and methanol to dimethyl sulfoxide. Furthermore, the values of acidity constants in the non-aqueous media have shown that in all the solvents studied they change according to the substituent effects. It has been also found that substituted 4-nitropyridine derivatives studied exhibit no tendency towards cationic homoconjugation in acetonitrile, propylene carbonate, and methanol and dimethyl sulfoxide. Moreover, it has been demonstrated that the acid dissociation constants determined by potentiometric titration method in all the solutions investigated correlate well with the calculated energy parameters of the protonation reactions in the gaseous phase.

A Brief Introduction to Single-Molecule Fluorescence Methods.

Science.gov (United States)

van den Wildenberg, Siet M J L; Prevo, Bram; Peterman, Erwin J G

2018-01-01

One of the more popular single-molecule approaches in biological science is single-molecule fluorescence microscopy, which will be the subject of the following section of this volume. Fluorescence methods provide the sensitivity required to study biology on the single-molecule level, but they also allow access to useful measurable parameters on time and length scales relevant for the biomolecular world. Before several detailed experimental approaches will be addressed, we will first give a general overview of single-molecule fluorescence microscopy. We start with discussing the phenomenon of fluorescence in general and the history of single-molecule fluorescence microscopy. Next, we will review fluorescent probes in more detail and the equipment required to visualize them on the single-molecule level. We will end with a description of parameters measurable with such approaches, ranging from protein counting and tracking, single-molecule localization super-resolution microscopy, to distance measurements with Förster Resonance Energy Transfer and orientation measurements with fluorescence polarization.

Machine Learning Reveals a Non-Canonical Mode of Peptide Binding to MHC class II Molecules

DEFF Research Database (Denmark)

Andreatta, Massimo; Jurtz, Vanessa Isabell; Kaever, Thomas

2017-01-01

binding motif with a non-canonical binding core of length different from nine. This previously undescribed mode of peptide binding to MHCII molecules gives a more complete picture of peptide presentation by MHCII and allows us to model more accurately this event. This article is protected by copyright...

Intercellular adhesion molecule-1/LFA-1 ligation favors human Th1 development

NARCIS (Netherlands)

Smits, Hermelijn H.; de Jong, Esther C.; Schuitemaker, Joost H. N.; Geijtenbeek, Theo B. H.; van Kooyk, Yvette; Kapsenberg, Martien L.; Wierenga, Eddy A.

2002-01-01

Th cell polarization toward Th1 or Th2 cells is strongly driven by exogenous cytokines, in particular IL-12 or IL-4, if present during activation by Ag-presenting dendritic cells (DC). However, additional Th cell polarizing mechanisms are induced by the ligation of cell surface molecules on DC and

Design of a 50/50 splitting ratio non-polarizing beam splitter based on the modal method with fused-silica transmission gratings

Science.gov (United States)

Zhao, Huajun; Yuan, Dairong; Ming, Hai

2011-04-01

The optical design of a beam splitter that has a 50/50 splitting ratio regardless of the polarization is presented. The non-polarizing beam splitter (NPBS) is based on the fused-silica rectangular transmission gratings with high intensity tolerance. The modal method has been used to estimate the effective index of the modes excited in the grating region for TE and TM polarizations. If a phase difference equals an odd multiples of π/2 for the first two modes (i.e. modes 0 and 1), the incident light will be diffracted into the 0 and -1 orders with about 50% and 50% diffraction efficiency for TM and TE polarizations, respectively.

Raman Optical Activity of Biological Molecules

Science.gov (United States)

Blanch, Ewan W.; Barron, Laurence D.

Now an incisive probe of biomolecular structure, Raman optical activity (ROA) measures a small difference in Raman scattering from chiral molecules in right- and left-circularly polarized light. As ROA spectra measure vibrational optical activity, they contain highly informative band structures sensitive to the secondary and tertiary structures of proteins, nucleic acids, viruses and carbohydrates as well as the absolute configurations of small molecules. In this review we present a survey of recent studies on biomolecular structure and dynamics using ROA and also a discussion of future applications of this powerful new technique in biomedical research.

The spectral properties of (--epigallocatechin 3-O-gallate (EGCG fluorescence in different solvents: dependence on solvent polarity.

Directory of Open Access Journals (Sweden)

Vladislav Snitsarev

Full Text Available (--Epigallocatechin 3-O-gallate (EGCG a molecule found in green tea and known for a plethora of bioactive properties is an inhibitor of heat shock protein 90 (HSP90, a protein of interest as a target for cancer and neuroprotection. Determination of the spectral properties of EGCG fluorescence in environments similar to those of binding sites found in proteins provides an important tool to directly study protein-EGCG interactions. The goal of this study is to examine the spectral properties of EGCG fluorescence in an aqueous buffer (AB at pH=7.0, acetonitrile (AN (a polar aprotic solvent, dimethylsulfoxide (DMSO (a polar aprotic solvent, and ethanol (EtOH (a polar protic solvent. We demonstrate that EGCG is a highly fluorescent molecule when excited at approximately 275 nm with emission maxima between 350 and 400 nm depending on solvent. Another smaller excitation peak was found when EGCG is excited at approximately 235 nm with maximum emission between 340 and 400 nm. We found that the fluorescence intensity (FI of EGCG in AB at pH=7.0 is significantly quenched, and that it is about 85 times higher in an aprotic solvent DMSO. The Stokes shifts of EGCG fluorescence were determined by solvent polarity. In addition, while the emission maxima of EGCG fluorescence in AB, DMSO, and EtOH follow the Lippert-Mataga equation, its fluorescence in AN points to non-specific solvent effects on EGCG fluorescence. We conclude that significant solvent-dependent changes in both fluorescence intensity and fluorescence emission shifts can be effectively used to distinguish EGCG in aqueous solutions from EGCG in environments of different polarity, and, thus, can be used to study specific EGCG binding to protein binding sites where the environment is often different from aqueous in terms of polarity.

Atkins' molecules

CERN Document Server

Atkins, Peters

2003-01-01

Originally published in 2003, this is the second edition of a title that was called 'the most beautiful chemistry book ever written'. In it, we see the molecules responsible for the experiences of our everyday life - including fabrics, drugs, plastics, explosives, detergents, fragrances, tastes, and sex. With engaging prose Peter Atkins gives a non-technical account of an incredible range of aspects of the world around us, showing unexpected connections, and giving an insight into how this amazing world can be understood in terms of the atoms and molecules from which it is built. The second edition includes dozens of extra molecules, graphical presentation, and an even more accessible and enthralling account of the molecules themselves.

The P9 pocket of HLA-DQ2 (non-Aspbeta57) has no particular preference for negatively charged anchor residues found in other type 1 diabetes-predisposing non-Aspbeta57 MHC class II molecules

DEFF Research Database (Denmark)

Quarsten, H; Paulsen, G; Johansen, B H

1998-01-01

Susceptibility and resistance to type 1 diabetes are associated with MHC class II alleles that carry non-Asp and Asp at residue 57 of their beta chain respectively. The effect of Asp or non-Aspbeta57 may relate to a differential ability of distinct class II molecules to bind specific immuno......-pathogenic peptides. Recent studies in man and mouse have revealed that some type 1 diabetes-predisposing non-Aspbeta57 class II molecules (i.e. DQ8, DR4Dw15 and I-Ag7) preferentially bind peptides with a negatively charged anchor residue at P9. It has been suggested that this is a common feature of type 1 diabetes......-predisposing class II molecules. The molecular explanation for such a phenomenon could be that class II beta chains with Aspbeta57 form a salt bridge between Aspbeta57 and a conserved Arg of the a chain, whereas in non-Aspbeta57 molecules the Arg is unopposed and free to interact with negatively charged P9 peptide...

Single-molecule conductivity of non-redox and redox molecules at pure and gold-mined Au(111)-electrode surfaces

DEFF Research Database (Denmark)

Zhang, Jingdong; Chi, Qijin; Ulstrup, Jens

The structure, two-dimensional organization, and function of molecules immobilized on solid surfaces can be addressed in a degree of detail that has reached the level of the single-molecule. In this context redox molecules are “smart” molecules adding sophisticated electronic function. Redox meta...

Expanding signaling-molecule wavefront model of cell polarization in the Drosophila wing primordium.

Science.gov (United States)

Wortman, Juliana C; Nahmad, Marcos; Zhang, Peng Cheng; Lander, Arthur D; Yu, Clare C

2017-07-01

In developing tissues, cell polarization and proliferation are regulated by morphogens and signaling pathways. Cells throughout the Drosophila wing primordium typically show subcellular localization of the unconventional myosin Dachs on the distal side of cells (nearest the center of the disc). Dachs localization depends on the spatial distribution of bonds between the protocadherins Fat (Ft) and Dachsous (Ds), which form heterodimers between adjacent cells; and the Golgi kinase Four-jointed (Fj), which affects the binding affinities of Ft and Ds. The Fj concentration forms a linear gradient while the Ds concentration is roughly uniform throughout most of the wing pouch with a steep transition region that propagates from the center to the edge of the pouch during the third larval instar. Although the Fj gradient is an important cue for polarization, it is unclear how the polarization is affected by cell division and the expanding Ds transition region, both of which can alter the distribution of Ft-Ds heterodimers around the cell periphery. We have developed a computational model to address these questions. In our model, the binding affinity of Ft and Ds depends on phosphorylation by Fj. We assume that the asymmetry of the Ft-Ds bond distribution around the cell periphery defines the polarization, with greater asymmetry promoting cell proliferation. Our model predicts that this asymmetry is greatest in the radially-expanding transition region that leaves polarized cells in its wake. These cells naturally retain their bond distribution asymmetry after division by rapidly replenishing Ft-Ds bonds at new cell-cell interfaces. Thus we predict that the distal localization of Dachs in cells throughout the pouch requires the movement of the Ds transition region and the simple presence, rather than any specific spatial pattern, of Fj.

Tuning spin-polarized transport in organic semiconductors

Science.gov (United States)

Mattana, Richard; Galbiati, Marta; Delprat, Sophie; Tatay, Sergio; Deranlot, Cyrile; Seneor, Pierre; Petroff, Frederic

Molecular spintronics is an emerging research field at the frontier between organic chemistry and the spintronics. Compared to traditional inorganic materials molecules are flexible and can be easily tailored by chemical synthesis. Due to their theoretically expected very long spin lifetime, they were first only seen as the ultimate media for spintronics devices. It was recently that new spintronics tailoring could arise from the chemical versatility brought by molecules. The hybridization between a ferromagnet and molecules induces a spin dependent broadening and energy shifting of the molecular orbitals leading to an induced spin polarization on the first molecular layer. This spin dependent hybridization can be used to tailor the spin dependent transport in organic spintronics devices. We have studied vertical Co/Alq3/Co organic spin valves. The negative magnetoresistance observed is the signature of different coupling strengths at the top and bottom interfaces. We have then inserted an inorganic tunnel barrier at the bottom interface in order to suppress the spin-dependent hybridization. In this case we restore a positive magnetoresistance. This demonstrates that at the bottom Co/Alq3 interface a stronger coupling occurs which induces an inversion of the spin polarization.

Recombination dynamics of excitons with low non-radiative component in semi-polar (10-11)-oriented GaN/AlGaN multiple quantum wells

International Nuclear Information System (INIS)

Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B.; Izyumskaya, N.; Monavarian, M.; Zhang, F.; Okur, S.; Avrutin, V.; Özgür, Ü.; Morkoç, H.

2014-01-01

Optical properties of GaN/Al 0.2 Ga 0.8 N multiple quantum wells grown with semi-polar (10-11) orientation on patterned 7°-off Si (001) substrates have been investigated. Studies performed at 8 K reveal the in-plane anisotropic behavior of the QW photoluminescence (PL) intensity for this semi-polar orientation. The time resolved PL measurements were carried out in the temperature range from 8 to 295 K to deduce the effective recombination decay times, with respective radiative and non-radiative contributions. The non-radiative component remains relatively weak with increasing temperature, indicative of high crystalline quality. The radiative decay time is a consequence of contribution from both localized and free excitons. We report an effective density of interfacial defects of 2.3 × 10 12 cm −2 and a radiative recombination time of τ loc  = 355 ps for the localized excitons. This latter value is significantly larger than those reported for the non-polar structures, which we attribute to the presence of a weak residual electric field in the semi-polar QW layers

Recombination dynamics of excitons with low non-radiative component in semi-polar (10-11)-oriented GaN/AlGaN multiple quantum wells

Energy Technology Data Exchange (ETDEWEB)

Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B. [CNRS, Laboratoire Charles Coulomb, UMR 5221, F-34095 Montpellier (France); Université Montpellier 2, Laboratoire Charles Coulomb, UMR 5221, F-34095 Montpellier (France); Izyumskaya, N.; Monavarian, M.; Zhang, F.; Okur, S.; Avrutin, V.; Özgür, Ü.; Morkoç, H. [Department of Electrical and Computer Engineering, Virginia Commonwealth University, Richmond, Virginia 23238 (United States)

2014-09-07

Optical properties of GaN/Al{sub 0.2}Ga{sub 0.8}N multiple quantum wells grown with semi-polar (10-11) orientation on patterned 7°-off Si (001) substrates have been investigated. Studies performed at 8 K reveal the in-plane anisotropic behavior of the QW photoluminescence (PL) intensity for this semi-polar orientation. The time resolved PL measurements were carried out in the temperature range from 8 to 295 K to deduce the effective recombination decay times, with respective radiative and non-radiative contributions. The non-radiative component remains relatively weak with increasing temperature, indicative of high crystalline quality. The radiative decay time is a consequence of contribution from both localized and free excitons. We report an effective density of interfacial defects of 2.3 × 10{sup 12} cm{sup −2} and a radiative recombination time of τ{sub loc} = 355 ps for the localized excitons. This latter value is significantly larger than those reported for the non-polar structures, which we attribute to the presence of a weak residual electric field in the semi-polar QW layers.

Design strategies to minimize the radiative efficiency of global warming molecules

Science.gov (United States)

Bera, Partha P.; Francisco, Joseph S.; Lee, Timothy J.

2010-01-01

A strategy is devised to screen molecules based on their radiative efficiency. The methodology should be useful as one additional constraint when determining the best molecule to use for an industrial application. The strategy is based on the results of a recent study where we examined molecular properties of global warming molecules using ab initio electronic structure methods to determine which fundamental molecular properties are important in assessing the radiative efficiency of a molecule. Six classes of perfluorinated compounds are investigated. For similar numbers of fluorine atoms, their absorption of radiation in the IR window decreases according to perfluoroethers > perfluorothioethers ≈ sulfur/carbon compounds > perfluorocarbons > perfluoroolefins > carbon/nitrogen compounds. Perfluoroethers and hydrofluorethers are shown to possess a large absorption in the IR window due to (i) the C─O bonds are very polar, (ii) the C-O stretches fall within the IR window and have large IR intensity due to their polarity, and (iii) the IR intensity for C-F stretches in which the fluorine atom is bonded to the carbon that is bonded to the oxygen atom is enhanced due to a larger C─F bond polarity. Lengthening the carbon chain leads to a larger overall absorption in the IR window, though the IR intensity per bond is smaller. Finally, for a class of partially fluorinated compounds with a set number of electronegative atoms, the overall absorption in the IR window can vary significantly, as much as a factor of 2, depending on how the fluorine atoms are distributed within the molecule. PMID:20439762

NMR structure calculation for all small molecule ligands and non-standard residues from the PDB Chemical Component Dictionary

Energy Technology Data Exchange (ETDEWEB)

Yilmaz, Emel Maden; Güntert, Peter, E-mail: guentert@em.uni-frankfurt.de [Goethe University Frankfurt am Main, Center for Biomolecular Magnetic Resonance, Institute of Biophysical Chemistry (Germany)

2015-09-15

An algorithm, CYLIB, is presented for converting molecular topology descriptions from the PDB Chemical Component Dictionary into CYANA residue library entries. The CYANA structure calculation algorithm uses torsion angle molecular dynamics for the efficient computation of three-dimensional structures from NMR-derived restraints. For this, the molecules have to be represented in torsion angle space with rotations around covalent single bonds as the only degrees of freedom. The molecule must be given a tree structure of torsion angles connecting rigid units composed of one or several atoms with fixed relative positions. Setting up CYANA residue library entries therefore involves, besides straightforward format conversion, the non-trivial step of defining a suitable tree structure of torsion angles, and to re-order the atoms in a way that is compatible with this tree structure. This can be done manually for small numbers of ligands but the process is time-consuming and error-prone. An automated method is necessary in order to handle the large number of different potential ligand molecules to be studied in drug design projects. Here, we present an algorithm for this purpose, and show that CYANA structure calculations can be performed with almost all small molecule ligands and non-standard amino acid residues in the PDB Chemical Component Dictionary.

Photo-Responsive Graphene and Carbon Nanotubes to Control and Tackle Biological Systems

Science.gov (United States)

Cardano, Francesca; Frasconi, Marco; Giordani, Silvia

2018-01-01

Photo-responsive multifunctional nanomaterials are receiving considerable attention for biological applications because of their unique properties. The functionalization of the surface of carbon nanotubes (CNTs) and graphene, among other carbon based nanomaterials, with molecular switches that exhibit reversible transformations between two or more isomers in response to different kind of external stimuli, such as electromagnetic radiation, temperature and pH, has allowed the control of the optical and electrical properties of the nanomaterial. Light-controlled molecular switches, such as azobenzene and spiropyran, have attracted a lot of attention for nanomaterial's functionalization because of the remote modulation of their physicochemical properties using light stimulus. The enhanced properties of the hybrid materials obtained from the coupling of carbon based nanomaterials with light-responsive switches has enabled the fabrication of smart devices for various biological applications, including drug delivery, bioimaging and nanobiosensors. In this review, we highlight the properties of photo-responsive carbon nanomaterials obtained by the conjugation of CNTs and graphene with azobenzenes and spiropyrans molecules to investigate biological systems, devising possible future directions in the field. PMID:29707534

Photo-Responsive Graphene and Carbon Nanotubes to Control and Tackle Biological Systems

Science.gov (United States)

Cardano, Francesca; Frasconi, Marco; Giordani, Silvia

2018-04-01

Photo-responsive multifunctional nanomaterials are receiving considerable attention for biological applications because of their unique properties. The functionalization of the surface of carbon nanotubes (CNTs) and graphene, among other carbon based nanomaterials, with molecular switches that exhibit reversible transformations between two or more isomers in response to different kind of external stimuli, such as electromagnetic radiation, temperature and pH, has allowed the control of the optical and electrical properties of the nanomaterial. Light-controlled molecular switches, such as azobenzene and spiropyran, have attracted a lot of attention for nanomaterial’s functionalization because of the remote modulation of their physicochemical properties using light stimulus. The enhanced properties of the hybrid materials obtained from the coupling of carbon based nanomaterials with light-responsive switches has enabled the fabrication of smart devices for various biological applications, including drug delivery, bioimaging and nanobiosensors. In this review, we highlight the properties of photo-responsive carbon nanomaterials obtained by the conjugation of CNTs and graphene with azobenzenes and spiropyrans molecules to investigate biological systems, devising possible future directions in the field.

Photochromic properties of modified nanodiamonds

Science.gov (United States)

Venidiktova, O. V.; Valova, T. M.; Barachevsky, V. A.; Ait, A. O.; Lebedev-Stepanov, P. V.; Vul, A. Ya.; Koltsova, L. S.; Shienok, A. I.; Zaichenko, N. L.

2017-05-01

A functionalization of the surface of detonation nanodiamonds by photochromic spirocompounds from the classes of spiropyrans and spirooxazines has been carried out for the first time. A comparative study of the interaction of nanodiamonds with positive and negative potential is performed by the spectral-kinetic method, which shows the possibility of surface modification by only functionalized molecules of spirocompounds with the formation of surface proton complexes. This is confirmed by the hypsochromic shift of the absorption bands of the photoinduced merocyanine forms of adsorbed molecules of spirocompounds and by the decrease of the speed of their dark relaxation to the initial state in the presence of nanodiamonds with a negative potential.

Effects of microwave on spin tunneling in single-molecule magnets

Science.gov (United States)

Kim, Gwang-Hee; Kim, Tae-Suk

2005-03-01

We study theoretically the effects of the irradiated microwave on the magnetization in single-molecule magnets (SMMs) like V15 and Fe8. We find that the shape of magnetization depends on the microwave intensity as well as the microwave polarization. The applied microwave field enhances the tunneling probability. The linearly polarized microwaves induce the suppression of magnetization at both positive and negative magnetic fields. The circularly polarized microwaves are absorbed either at one direction of magnetic field or at both directions of magnetic fields, depending on the polarization directions with respect to the direction of longitudinal magnetic field. The generic features we found will be compared with the recent experimental results.

Self-collimating photonic crystal polarization beam splitter.

Science.gov (United States)

Zabelin, V; Dunbar, L A; Le Thomas, N; Houdré, R; Kotlyar, M V; O'Faolain, L; Krauss, T F

2007-03-01

We present theoretical and experimental results of a polarization splitter device that consists of a photonic crystal (PhC) slab, which exhibits a large reflection coefficient for TE and a high transmission coefficient for TM polarization. The slab is embedded in a PhC tile operating in the self-collimation mode. Embedding the polarization-discriminating slab in a PhC with identical lattice symmetry suppresses the in-plane diffraction losses at the PhC-non-PhC interface. The optimization of the PhC-non-PhC interface is thereby decoupled from the optimization of the polarizing function. Transmissions as high as 35% for TM- and 30% for TE-polarized light are reported.

Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

International Nuclear Information System (INIS)

Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

2006-01-01

This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

Data reading with the aid of one-photon and two-photon luminescence in three-dimensional optical memory devices based on photochromic materials

International Nuclear Information System (INIS)

Akimov, Denis A; Zheltikov, Aleksei M; Koroteev, Nikolai I; Naumov, A N; Fedotov, Andrei B; Magnitskiy, Sergey A; Sidorov-Biryukov, D A; Sokolyuk, N T

1998-01-01

The problem of nondestructive reading of the data stored in the interior of a photochromic sample was analysed. A comparison was made of the feasibility of reading based on one-photon and two-photon luminescence. A model was proposed for the processes of reading the data stored in photochromic molecules with the aid of one-photon and two-photon luminescence. In addition to photochromic transitions, account was taken of the transfer of populations between optically coupled transitions in molecules under the action of the exciting radiation. This model provided a satisfactory description of the kinetics of decay of the coloured form of bulk samples of spiropyran and made it possible to determine experimentally the quantum yield of the reverse photoreaction as well as the two-photon absorption cross section of the coloured form. Measurements were made of the characteristic erasure times of the data stored in a photochromic medium under one-photon and two-photon luminescence reading conditions. It was found that the use of two-photon luminescence made it possible to enhance considerably the contrast and localisation of the optical data reading scheme in three-dimensional optical memory devices. The experimental results were used to estimate the two-photon absorption cross section of the coloured form of a sample of indoline spiropyran in a polymethyl methacrylate matrix. (laser applications and other topics in quantum electronics)

Tunnel magnetoresistance of magnetic molecules with spin-vibron coupling

Directory of Open Access Journals (Sweden)

Ahmed Kenawy

2017-05-01

Full Text Available The effect of molecular vibrations on the tunnel magnetoresistance (TMR of a magnetic tunnel junction with a single spin-anisotropic molecule interconnecting its electrodes is investigated theoretically. We demonstrate that if these vibrations couple at the same time to the charge of tunneling electrons and to the spin of the molecule, the spin anisotropy of such a molecule becomes enhanced. This has, in turn, a profound impact on the TMR of such a device showing that molecular vibrations lead to a significant change of spin-polarized transport, differing for the parallel and antiparallel magnetic configuration of the junction.

Efficient spin-current injection in single-molecule magnet junctions

Directory of Open Access Journals (Sweden)

Haiqing Xie

2018-01-01

Full Text Available We study theoretically spin transport through a single-molecule magnet (SMM in the sequential and cotunneling regimes, where the SMM is weakly coupled to one ferromagnetic and one normal-metallic leads. By a master-equation approach, it is found that the spin polarization injected from the ferromagnetic lead is amplified and highly polarized spin-current can be generated, due to the exchange coupling between the transport electron and the anisotropic spin of the SMM. Moreover, the spin-current polarization can be tuned by the gate or bias voltage, and thus an efficient spin injection device based on the SMM is proposed in molecular spintronics.

Efficient spin-current injection in single-molecule magnet junctions

Science.gov (United States)

Xie, Haiqing; Xu, Fuming; Jiao, Hujun; Wang, Qiang; Liang, J.-Q.

2018-01-01

We study theoretically spin transport through a single-molecule magnet (SMM) in the sequential and cotunneling regimes, where the SMM is weakly coupled to one ferromagnetic and one normal-metallic leads. By a master-equation approach, it is found that the spin polarization injected from the ferromagnetic lead is amplified and highly polarized spin-current can be generated, due to the exchange coupling between the transport electron and the anisotropic spin of the SMM. Moreover, the spin-current polarization can be tuned by the gate or bias voltage, and thus an efficient spin injection device based on the SMM is proposed in molecular spintronics.

Linearly and circularly polarized laser photoinduced molecular order in azo dye doped polymer films

Directory of Open Access Journals (Sweden)

Saad Bendaoud

2017-01-01

Full Text Available Photo-induced behavior of Azo Disperse one (AZD1 doped Poly(Methyl MethAcrylate (PMMA using both linear and circular polarized light is studied. The anisotropy is not erased by the circular polarization light. The circular polarization light combined with relatively long lifetime of the cis state in azo dye doped polymers activate all transverse directions of the angular hole burning through the spot in the film inducing anisotropy. Under circular polarized light, there is no orientation perpendicularly to the helex described by the rotating electric field vector, trans molecules reorients in the propagation direction of the pump beam. The polarization state of the probe beam after propagation through the pumped spot depends strongly on the angle of incidence of both pump and probe beams on the input face. In the case where circular polarized pump and probe beams are under the same angle of incidence, the probe beam “sees” anisotropic film as if it is isotropic. Results of this work shows the possibility to reorient azobenzene-type molecules in two orthogonal directions using alternately linearly and circularly polarized beams.

Comparison of the sampling rates and partitioning behaviour of polar and non-polar contaminants in the polar organic chemical integrative sampler and a monophasic mixed polymer sampler for application as an equilibrium passive sampler.

Science.gov (United States)

Jeong, Yoonah; Schäffer, Andreas; Smith, Kilian

2018-06-15

In this work, Oasis HLB® beads were embedded in a silicone matrix to make a single phase passive sampler with a higher affinity for polar and ionisable compounds than silicone alone. The applicability of this mixed polymer sampler (MPS) was investigated for 34 aquatic contaminants (log K OW -0.03 to 6.26) in batch experiments. The influence of flow was investigated by comparing uptake under static and stirred conditions. The sampler characteristics of the MPS was assessed in terms of sampling rates (R S ) and sampler-water partition coefficients (K SW ), and these were compared to those of the polar organic chemical integrative sampler (POCIS) as a reference kinetic passive sampler. The MPS was characterized as an equilibrium sampler for both polar and non-polar compounds, with faster uptake rates and a shorter time to reach equilibrium than the POCIS. Water flow rate impacted sampling rates by up to a factor of 12 when comparing static and stirred conditions. In addition, the relative accumulation of compounds in the polyethersulfone (PES) membranes versus the inner Oasis HLB sorbent was compared for the POCIS, and ranged from <1% to 83% depending on the analyte properties. This is indicative of a potentially significant lag-phase for less polar compounds within POCIS. The findings of this study can be used to quantitatively describe the partitioning and kinetic behaviour of MPS and POCIS for a range of aquatic organic contaminants for application in field sampling. Copyright © 2018 Elsevier B.V. All rights reserved.

Single-Molecule FISH Reveals Non-selective Packaging of Rift Valley Fever Virus Genome Segments.

Directory of Open Access Journals (Sweden)

Paul J Wichgers Schreur

2016-08-01

Full Text Available The bunyavirus genome comprises a small (S, medium (M, and large (L RNA segment of negative polarity. Although genome segmentation confers evolutionary advantages by enabling genome reassortment events with related viruses, genome segmentation also complicates genome replication and packaging. Accumulating evidence suggests that genomes of viruses with eight or more genome segments are incorporated into virions by highly selective processes. Remarkably, little is known about the genome packaging process of the tri-segmented bunyaviruses. Here, we evaluated, by single-molecule RNA fluorescence in situ hybridization (FISH, the intracellular spatio-temporal distribution and replication kinetics of the Rift Valley fever virus (RVFV genome and determined the segment composition of mature virions. The results reveal that the RVFV genome segments start to replicate near the site of infection before spreading and replicating throughout the cytoplasm followed by translocation to the virion assembly site at the Golgi network. Despite the average intracellular S, M and L genome segments approached a 1:1:1 ratio, major differences in genome segment ratios were observed among cells. We also observed a significant amount of cells lacking evidence of M-segment replication. Analysis of two-segmented replicons and four-segmented viruses subsequently confirmed the previous notion that Golgi recruitment is mediated by the Gn glycoprotein. The absence of colocalization of the different segments in the cytoplasm and the successful rescue of a tri-segmented variant with a codon shuffled M-segment suggested that inter-segment interactions are unlikely to drive the copackaging of the different segments into a single virion. The latter was confirmed by direct visualization of RNPs inside mature virions which showed that the majority of virions lack one or more genome segments. Altogether, this study suggests that RVFV genome packaging is a non-selective process.

Spectroscopic imaging studies of nanoscale polarity and mass transport phenomena in self-assembled organic nanotubes.

Science.gov (United States)

Xu, Hao; Nagasaka, Shinobu; Kameta, Naohiro; Masuda, Mitsutoshi; Ito, Takashi; Higgins, Daniel A

2017-08-02

Synthetic organic nanotubes self-assembled from bolaamphiphile surfactants are now being explored for use as drug delivery vehicles. In this work, several factors important to their implementation in drug delivery are explored. All experiments are performed with the nanotubes immersed in ethanol. First, Nile Red (NR) and a hydroxylated Nile Red derivative (NR-OH) are loaded into the nanotubes and spectroscopic fluorescence imaging methods are used to determine the apparent dielectric constant of their local environment. Both are found in relatively nonpolar environments, with the NR-OH molecules preferring regions of relatively higher dielectric constant compared to NR. Unique two-color imaging fluorescence correlation spectroscopy (imaging FCS) measurements are then used along with the spectroscopic imaging results to deduce the dielectric properties of the environments sensed by mobile and immobile populations of probe molecules. The results reveal that mobile NR molecules pass through less polar regions, likely within the nanotube walls, while immobile NR molecules are found in more polar regions, possibly near the nanotube surfaces. In contrast, mobile and immobile NR-OH molecules are found to locate in environments of similar polarity. The imaging FCS results also provide quantitative data on the apparent diffusion coefficient for each dye. The mean diffusion coefficient for the NR dye was approximately two-fold larger than that of NR-OH. Slower diffusion by the latter could result from its additional hydrogen bonding interactions with polar triglycine, amine, and glucose moieties near the nanotube surfaces. The knowledge gained in these studies will allow for the development of nanotubes that are better engineered for applications in the controlled transport and release of uncharged, dipolar drug molecules.

X-ray diffraction study of A- plane non-polar InN epilayer grown by MOCVD

Science.gov (United States)

Moret, Matthieu; Briot, Olivier; Gil, Bernard

2015-03-01

Strong polarisation-induced electric fields in C-plane oriented nitrides semiconductor layers reduce the performance of devices. Eliminating the polarization fields can be achieved by growing nitrides along non polar direction. We have grown non polar A-plane oriented InN on R-plane (1‾102) nitridated sapphire substrate by MOCVD. We have studied the structural anisotropy observed in these layers by analyzing High Resolution XRay Diffraction rocking curve (RC) experiments as a function of the in-plane beam orientation. A-plane InN epilayer have a unique epitaxial relationship on R-Plane sapphire and show a strong structural anisotropy. Full width at half maximum (FWHM) of the InN(11‾20) XRD RC values are contained between 44 and 81 Arcmin. FWHM is smaller when the diffraction occurs along the [0001] and the largest FWHM values, of the (11‾20) RC, are obtained when the diffraction occurs along the [1‾100] in-plane direction. Atomic Force Microscopy imaging revealed morphologies with well organized crystallites. The grains are structured along a unique crystallographic orientation of InN, leading to larger domains in this direction. This structural anisotropy can be, in first approximation, attributed to the difference in the domain sizes observed. XRD reciprocal space mappings (RSM) were performed in asymmetrical configuration on (13‾40) and (2‾202) diffraction plane. RSM are measured with a beam orientation corresponding to a maximal and a minimal width of the (11‾20) Rocking curves, respectively. A simple theoretical model is exposed to interpret the RSM. We concluded that the dominant contribution to the anisotropy is due to the scattering coherence length anisotropy present in our samples.

Mechanism of anterior-posterior polarity control in planarians

Energy Technology Data Exchange (ETDEWEB)

Lange, C.S.; Steele, V.E.

1978-01-01

The substance which inhibits brain formation in the regenerating planarian Dugesia etrusca was found to be a large molecule, at least in part protein, which electrophoreses as an electronegative moiety in pH 6.8 buffer. A model is presented, based on this finding and previous studies, which proposes an electrochemical mechanism for the control of polarity and possibly for the maintenance of tissue organization in planarians. It is proposed that a bioelectric field exists and moves the electronegative brain-inhibiting substance in a posterior direction, establishing polarity. This model explains the polarity reversal experiments using external fields and many of the previously unexplained classical planarian experiments. Data are presented demonstrating the existence, magnitude, and polarity of this bioelectric field, which is not greatly altered upon decapitation, all in accord with predictions of the model.

Errors and corrections in the separation of spin-flip and non-spin-flip thermal neutron scattering using the polarization analysis technique

International Nuclear Information System (INIS)

Williams, W.G.

1975-01-01

The use of the polarization analysis technique to separate spin-flip from non-spin-flip thermal neutron scattering is especially important in determining magnetic scattering cross-sections. In order to identify a spin-flip ratio in the scattering with a particular scattering process, it is necessary to correct the experimentally observed 'flipping-ratio' to allow for the efficiencies of the vital instrument components (polarizers and spin-flippers), as well as multiple scattering effects in the sample. Analytical expressions for these corections are presented and their magnitudes in typical cases estimated. The errors in measurement depend strongly on the uncertainties in the calibration of the efficiencies of the polarizers and the spin-flipper. The final section is devoted to a discussion of polarization analysis instruments

Antidiabetic, cytotoxic, antioxidant and antitrematodal medicinal efficacy of polar and non-polar phytochemicals of Balanites aegyptiaca Del.

Directory of Open Access Journals (Sweden)

Hanan Abd Al-Hay Saied Al-Ashaal

2017-11-01

Full Text Available Objective: To investigate the biological activities of polar and non-polar extracts of Balanites aegyptiaca fruits. Methods: Antihyperglycemic activity using alloxan induced diabetic rats was evaluated. In vitro cytotoxicity against human carcinoma cell lines activity in addition to antioxidant and antitrematodal effects were investigated. Phytochemicals were determined using chromatographic and spectral analyses including TLC, GC and LC/MS/MS methods. Results: The reduction in blood glucose level reached 64.13%, 69.07% and 77.01% for hexane, chloroform and methanol extract, respectively. Isolated organs and histopathological examination illustrated improvement in treated animal's pancreas which is the master gland in controlling glucose level. The highest in vitro free radical scavenging capacity was achieved by chloroform extract (75.72%. Meanwhile, hexane and methanol extracts exhibited 44.01% and 41.77% scavenging capacity, respectively. Cytotoxic activity against human carcinoma cell lines illustrated efficacious influence against brain, liver, lung, breast and lymphoblastic leukemia cell lines. Brain cell line was the most susceptible cell line by both chloroform and methanol extracts. In vitro antitrematodal effectiveness showed that 100% mortality of Schistosoma worms was induced at the 3rd and 5th days for methanol and chloroform extracts. Meanwhile, both extracts exhibited antifasciolosis activity with LC50 of 63.19 and 55.15 mg/L, respectively. Conclusions: The current results illustrated that Balanites aegyptiaca phytochemicals induced potent hypoglycemic activity and potent to moderate antioxidant and cytotoxic effects. Chloroform and methanol extracts were found to have antitrematodal efficacy against Schistosoma mansoni and Fasciola gigantica hepatic worms.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.

Science.gov (United States)

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J; Gagliardi, Laura; Smit, Berend

2017-07-20

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper-CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2 (formate) 4 . We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2 , even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller-Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.

Pretransitional behaviour in the vicinity of the isotropic-nematic transition of strongly polar compounds

International Nuclear Information System (INIS)

Sridevi, S; Krishna Prasad, S; Shankar Rao, D S; Yelamaggad, C V

2008-01-01

The isotropic-nematic transition, being weakly first order, exhibits pretransitional effects signifying the appearance of the nematic-like regions in the isotropic phase. In the isotropic phase, strongly polar liquid crystals, such as the popular alkyl and alkoxy cyano biphenyl behave in a non-standard fashion: whereas far away from the transition the dielectric constant ε iso has a 1/T dependence (a feature also commonly seen in polar liquids), on approaching the nematic phase the trend reverses resulting in a maximum in ε iso , at a temperature slightly above the transition, an effect explained on the basis of short-range correlations with an antiparallel association of the neighbouring molecules. Recently, there has been a revival in studies on this behaviour to possibly associate it with the order of transition. Here we report dielectric measurements carried in the vicinity of this transition for a number of compounds having different molecular structures including a bent core system, but with a common feature that the molecules possess a strong terminal polar group, nitro in one case and cyano in the rest. Surprisingly, the convex shape of the thermal variation of ε iso was more an exception than the rule. In materials that exhibit such an anomaly we find a linear correlation between δε = (ε peak -ε IN )/ε IN and δT = T peak -T IN , where ε peak is the maximum value of the dielectric constant in the isotropic phase, ε IN the value at the transition, and T peak and T IN the corresponding temperatures.

Cathodoluminescence study of Mg activation in non-polar and semi-polar faces of undoped/Mg-doped GaN core-shell nanorods

Science.gov (United States)

Hortelano, V.; Martínez, O.; Cuscó, R.; Artús, L.; Jiménez, J.

2016-03-01

Spectrally and spatially resolved cathodoluminescence (CL) measurements were carried out at 80 K on undoped/Mg-doped GaN core-shell nanorods grown by selective area growth metalorganic vapor phase epitaxy in order to investigate locally the optical activity of the Mg dopants. A study of the luminescence emission distribution over the different regions of the nanorods is presented. We have investigated the CL fingerprints of the Mg incorporation into the non-polar lateral prismatic facets and the semi-polar facets of the pyramidal tips. The amount of Mg incorporation/activation was varied by using several Mg/Ga flow ratios and post-growth annealing treatment. For lower Mg/Ga flow ratios, the annealed nanorods clearly display a donor-acceptor pair band emission peaking at 3.26-3.27 eV and up to 4 LO phonon replicas, which can be considered as a reliable indicator of effective p-type Mg doping in the nanorod shell. For higher Mg/Ga flow ratios, a substantial enhancement of the yellow luminescence emission as well as several emission subbands are observed, which suggests an increase of disorder and the presence of defects as a consequence of the excess Mg doping.

DISCOVERY OF POLARIZATION REVERBERATION IN NGC 4151

Energy Technology Data Exchange (ETDEWEB)

Gaskell, C. Martin; Shoji, Masatoshi [Department of Physics and Astronomy, University of Nebraska, Lincoln, NE 68588-0111 (United States); Goosmann, Rene W. [Observatoire astronomique de Strasbourg, 11 rue de l' Universite, F-67000 Strasbourg (France); Merkulova, Nelly I.; Shakhovskoy, Nikolay M., E-mail: martin.gaskell@uv.cl, E-mail: mshoji@astro.as.utexas.edu, E-mail: rene.goosmann@astro.unistra.fr [Crimean Astrophysical Observatory, Nauchny, Crimea 98409 (Ukraine)

2012-04-20

Observations of the optical polarization of NGC 4151 in 1997-2003 show variations of an order of magnitude in the polarized flux while the polarization position angle remains constant. The amplitude of variability of the polarized flux is comparable to the amplitude of variability of the total U-band flux, except that the polarized flux follows the total flux with a lag of 8 {+-} 3 days. The time lag and the constancy of the position angle strongly favor a scattering origin for the variable polarization rather than a non-thermal synchrotron origin. The orientation of the position angle of the polarized flux (parallel to the radio axis) and the size of the lag imply that the polarization arises from electron scattering in a flattened region within the low-ionization component of the broad-line region. Polarization from dust scattering in the equatorial torus is ruled out as the source of the lag in polarized flux because it would produce a larger lag and, unless the half-opening angle of the torus is >53 Degree-Sign , the polarization would be perpendicular to the radio axis. We note a long-term change in the percentage of polarization at similar total flux levels, and this could be due either to changing non-axisymmetry in the optical continuum emission or a change in the number of scatterers on a timescale of years.

Dipole moments of molecules solvated in helium nanodroplets

International Nuclear Information System (INIS)

Stiles, Paul L.; Nauta, Klaas; Miller, Roger E.

2003-01-01

Stark spectra are reported for hydrogen cyanide and cyanoacetylene solvated in helium nanodroplets. The goal of this study is to understand the influence of the helium solvent on measurements of the permanent electric dipole moment of a molecule. We find that the dipole moments of the helium solvated molecules, calculated assuming the electric field is the same as in vacuum, are slightly smaller than the well-known gas-phase dipole moments of HCN and HCCCN. A simple elliptical cavity model quantitatively accounts for this difference, which arises from the dipole-induced polarization of the helium

Adhesion molecule profiles of B-cell non-Hodgkin's lymphomas in the leukemic phase

Directory of Open Access Journals (Sweden)

D.M. Matos

2006-10-01

Full Text Available We evaluated the expression of 10 adhesion molecules on peripheral blood tumor cells of 17 patients with chronic lymphocytic leukemia, 17 with mantle-cell lymphoma, and 13 with nodal or splenic marginal B-cell lymphoma, all in the leukemic phase and before the beginning of any therapy. The diagnosis of B-cell non-Hodgkin's lymphomas was based on cytological, histological, immunophenotypic, and molecular biology methods. The mean fluorescence intensity of the adhesion molecules in tumor cells was measured by flow cytometry of CD19-positive cells and differed amongst the types of lymphomas. Comparison of chronic lymphocytic leukemia and mantle-cell lymphoma showed that the former presented a higher expression of CD11c and CD49c, and a lower expression of CD11b and CD49d adhesion molecules. Comparison of chronic lymphocytic leukemia and marginal B-cell lymphoma showed that the former presented a higher expression of CD49c and a lower expression of CD11a, CD11b, CD18, CD49d, CD29, and CD54. Finally, comparison of mantle-cell lymphoma and marginal B-cell lymphoma showed that marginal B-cell lymphoma had a higher expression of CD11a, CD11c, CD18, CD29, and CD54. Thus, the CD49c/CD49d pair consistently demonstrated a distinct pattern of expression in chronic lymphocytic leukemia compared with mantle-cell lymphoma and marginal B-cell lymphoma, which could be helpful for the differential diagnosis. Moreover, the distinct profiles of adhesion molecules in these diseases may be responsible for their different capacities to invade the blood stream.

Charge-Transfer States in Organic Solar Cells: Understanding the Impact of Polarization, Delocalization, and Disorder

KAUST Repository

Zheng, Zilong; Tummala, Naga Rajesh; Fu, Yao-Tsung; Coropceanu, Veaceslav; Bredas, Jean-Luc

2017-01-01

pentacene molecules and three C60 molecules allows us to take explicitly into account the electronic polarization effects. These complexes are extracted from a bilayer architecture modeled by molecular dynamics simulations and evaluated by means

On the interplay of point defects and Cd in non-polar ZnCdO films

International Nuclear Information System (INIS)

Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

2013-01-01

Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10 17 cm −3 and 10 18 cm −3 , respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd Zn in the ZnO crystal.

On the interplay of point defects and Cd in non-polar ZnCdO films

Energy Technology Data Exchange (ETDEWEB)

Zubiaga, A.; Reurings, F.; Tuomisto, F. [Department of Applied Physics, Aalto University, P.O. Box 11100, 00076 Aalto, Espoo (Finland); Plazaola, F. [Elektrizitatea eta Elektronika/Fisika Aplikatua II Sailak, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Garcia, J. A. [Fisika Aplikatua II Saila, Euskal Herriko Unibertsitatea, Posta Kutxatila 644, 48080 Bilbao (Spain); Kuznetsov, A. Yu. [Department of Physics, University of Oslo, P.O. Box 1048 Blindern, NO-0316 Oslo (Norway); Egger, W. [Inst. fuer Angewandte Physik und Messtechnik, Univ. der Bundeswehr Muenchen, 87755 Neubiberg (Germany); Zuniga-Perez, J. [CRHEA CNRS, F-06560 Valbonne (France); Munoz-Sanjose, V. [Dept. de Fisica Aplicada i Electromagnetisme, c/ Doctor Moliner 50, E-46100 Burjassot (Valencia) (Spain)

2013-01-14

Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 10{sup 17} cm{sup -3} and 10{sup 18} cm{sup -3}, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 {mu}m inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional Cd{sub Zn} in the ZnO crystal.

On the interplay of point defects and Cd in non-polar ZnCdO films

Science.gov (United States)

Zubiaga, A.; Reurings, F.; Tuomisto, F.; Plazaola, F.; García, J. A.; Kuznetsov, A. Yu.; Egger, W.; Zúñiga-Pérez, J.; Muñoz-Sanjosé, V.

2013-01-01

Non-polar ZnCdO films, grown over m- and r-sapphire with a Cd concentration ranging between 0.8% and 5%, have been studied by means of slow positron annihilation spectroscopy (PAS) combined with chemical depth profiling by secondary ion mass spectroscopy and Rutherford back-scattering. Vacancy clusters and Zn vacancies with concentrations up to 1017 cm-3 and 1018 cm-3, respectively, have been measured inside the films. Secondary ion mass spectroscopy results show that most Cd stays inside the ZnCdO film but the diffused atoms can penetrate up to 1.3 μm inside the ZnO buffer. PAS results give an insight to the structure of the meta-stable ZnCdO above the thermodynamical solubility limit of 2%. A correlation between the concentration of vacancy clusters and Cd has been measured. The concentration of Zn vacancies is one order of magnitude larger than in as-grown non-polar ZnO films and the vacancy cluster are, at least partly, created by the aggregation of smaller Zn vacancy related defects. The Zn vacancy related defects and the vacancy clusters accumulate around the Cd atoms as a way to release the strain induced by the substitutional CdZn in the ZnO crystal.

Thermoelectric-induced spin currents in single-molecule magnet tunnel junctions

Science.gov (United States)

Zhang, Zhengzhong; Jiang, Liang; Wang, Ruiqiang; Wang, Baigeng; Xing, D. Y.

2010-12-01

A molecular spin-current generator is proposed, which consists of a single-molecule magnet (SMM) coupled to two normal metal electrodes with temperature gradient. It is shown that this tunneling junction can generate a highly spin-polarized current by thermoelectric effects, whose flowing direction and spin polarization can be changed by adjusting the gate voltage applied to the SMM. This device can be realized with current technologies and may have practical use in spintronics and quantum information.

Non-detection of HC11N towards TMC-1: constraining the chemistry of large carbon-chain molecules

Science.gov (United States)

Loomis, Ryan A.; Shingledecker, Christopher N.; Langston, Glen; McGuire, Brett A.; Dollhopf, Niklaus M.; Burkhardt, Andrew M.; Corby, Joanna; Booth, Shawn T.; Carroll, P. Brandon; Turner, Barry; Remijan, Anthony J.

2016-12-01

Bell et al. reported the first detection of the cyanopolyyne HC11N towards the cold dark cloud TMC-1; no subsequent detections have been reported towards any source. Additional observations of cyanopolyynes and other carbon-chain molecules towards TMC-1 have shown a log-linear trend between molecule size and column density, and in an effort to further explore the underlying chemical processes driving this trend, we have analysed Green Bank Telescope observations of HC9N and HC11N towards TMC-1. Although we find an HC9N column density consistent with previous values, HC11N is not detected and we derive an upper limit column density significantly below that reported in Bell et al. Using a state-of-the-art chemical model, we have investigated possible explanations of non-linearity in the column density trend. Despite updating the chemical model to better account for ion-dipole interactions, we are not able to explain the non-detection of HC11N, and we interpret this as evidence of previously unknown carbon-chain chemistry. We propose that cyclization reactions may be responsible for the depleted HC11N abundance, and that products of these cyclization reactions should be investigated as candidate interstellar molecules.

Spin-polarization reversal at the interface between benzene and Fe(100)

KAUST Repository

Goumri-Said, Souraya

2013-01-03

The spin-polarization at the interface between Fe(100) and a benzene is investigated theoretically using density functional theory for two positions of the organic molecule: planar and perpendicular with respect to the substrate. The electronic and magnetic properties as well as the spin-polarization close to the Fermi level strongly depend on the benzene position on the iron surface. An inversion of the spin-polarization is induced by p-d hybridization and charge transfer from the iron to the carbon sites in both configurations.

Spin-polarization reversal at the interface between benzene and Fe(100)

KAUST Repository

Goumri-Said, Souraya; Benali Kanoun, Mohammed; Manchon, Aurelien; Schwingenschlö gl, Udo

2013-01-01

The spin-polarization at the interface between Fe(100) and a benzene is investigated theoretically using density functional theory for two positions of the organic molecule: planar and perpendicular with respect to the substrate. The electronic and magnetic properties as well as the spin-polarization close to the Fermi level strongly depend on the benzene position on the iron surface. An inversion of the spin-polarization is induced by p-d hybridization and charge transfer from the iron to the carbon sites in both configurations.

Liquefaction of H2 molecules upon exterior surfaces of carbon nanotube bundles

International Nuclear Information System (INIS)

Han, Sang Soo; Kang, Jeung Ku; Lee, Hyuck Mo; Duin, Adri C.T. van; Goddard, William A. III

2005-01-01

We have used molecular dynamics simulations to investigate interaction of H 2 molecules on the exterior surfaces of carbon nanotubes (CNTs): single and bundle types. At 80 K and 10 MPa, it is found that charge transfer occurs from a low curvature region to a high curvature region of the deformed CNT bundle, which develops charge polarization only on the deformed structure. The long-range electrostatic interactions of polarized charges on the deformed CNT bundle with hydrogen molecules are observed to induce a high local-ordering of H 2 gas that results in hydrogen liquefaction. Our predicted heat of hydrogen liquefaction on the CNT bundle is 97.6 kcal kg -1 . On the other hand, hydrogen liquefaction is not observed in the CNT of a single type. This is because charge polarization is not developed on the single CNT as it is symmetrically deformed under the same pressure. Consequently, the hydrogen storage capacity on the CNT bundle is much higher due to liquefaction than that on the single CNT. Additionally, our results indicate that it would also be possible to liquefy H 2 gas on a more strongly polarized CNT bundle at temperatures higher than 80 K

Molecules and Models The molecular structures of main group element compounds

CERN Document Server

Haaland, Arne

2008-01-01

This book provides a systematic description of the molecular structures and bonding in simple compounds of the main group elements with particular emphasis on bond distances, bond energies and coordination geometries. The description includes the structures of hydrogen, halogen and methyl derivatives of the elements in each group, some of these molecules are ionic, some polar covalent. The survey of molecules whose structures conform to well-established trends is followed byrepresentative examples of molecules that do not conform. We also describe electron donor-acceptor and hydrogen bonded co

Verum focus and polar questions

Directory of Open Access Journals (Sweden)

Ion Giurgea

2012-11-01

Full Text Available We argue that some word order phenomena in Romanian and Sardinian are the result of a checking operation in the left periphery involving verum focus (i.e. focus on the polarity component of the sentence. In particular, this operation accounts for some word order patterns found in polar questions. In Romanian, polarity fronting is realized as head-movement of (V+T to a higher peripheral head which bears a Focus-probe. This licenses VS orders for predications in which VS is not allowed as a neutral order (i-level predicates, iteratives, generics. In Sardinian, an entire phrase headed by the lexical predicate (verbal non-finite form or non-verbal predicate is fronted before the auxiliary. We argue that this order is obtained by two movement operations, head-raising of Aux to Foc and movement of the predicate phrase to SpecFoc. We also present the semantics of polarity focus, distinguishing several types of focus (informational, emphatic, contrastive.

Non-perturbative calculation of equilibrium polarization of stored electron beams

International Nuclear Information System (INIS)

Yokoya, Kaoru.

1992-05-01

Stored electron/positron beams polarize spontaneously owing to the spin-flip synchrotron radiation. In the existing computer codes, the degree of the equilibrium polarization has been calculated using perturbation expansions in terms of the orbital oscillation amplitudes. In this paper a new numerical method is presented which does not employ the perturbation expansion. (author)

Laser Cooled YbF Molecules for Measuring the Electron's Electric Dipole Moment

Science.gov (United States)

Lim, J.; Almond, J. R.; Trigatzis, M. A.; Devlin, J. A.; Fitch, N. J.; Sauer, B. E.; Tarbutt, M. R.; Hinds, E. A.

2018-03-01

We demonstrate one-dimensional sub-Doppler laser cooling of a beam of YbF molecules to 100 μ K . This is a key step towards a measurement of the electron's electric dipole moment using ultracold molecules. We compare the effectiveness of magnetically assisted and polarization-gradient sub-Doppler cooling mechanisms. We model the experiment and find good agreement with our data.

Optical polarization of high-energy BL Lacertae objects

Science.gov (United States)

Hovatta, T.; Lindfors, E.; Blinov, D.; Pavlidou, V.; Nilsson, K.; Kiehlmann, S.; Angelakis, E.; Fallah Ramazani, V.; Liodakis, I.; Myserlis, I.; Panopoulou, G. V.; Pursimo, T.

2016-12-01

Context. We investigate the optical polarization properties of high-energy BL Lac objects using data from the RoboPol blazar monitoring program and the Nordic Optical Telescope. Aims: We wish to understand if there are differences between the BL Lac objects that have been detected with the current-generation TeV instruments and those objects that have not yet been detected. Methods: We used a maximum-likelihood method to investigate the optical polarization fraction and its variability in these sources. In order to study the polarization position angle variability, we calculated the time derivative of the electric vector position angle (EVPA) change. We also studied the spread in the Stokes Q/I-U/I plane and rotations in the polarization plane. Results: The mean polarization fraction of the TeV-detected BL Lacs is 5%, while the non-TeV sources show a higher mean polarization fraction of 7%. This difference in polarization fraction disappears when the dilution by the unpolarized light of the host galaxy is accounted for. The TeV sources show somewhat lower fractional polarization variability amplitudes than the non-TeV sources. Also the fraction of sources with a smaller spread in the Q/I-U/I plane and a clumped distribution of points away from the origin, possibly indicating a preferred polarization angle, is larger in the TeV than in the non-TeV sources. These differences between TeV and non-TeV samples seem to arise from differences between intermediate and high spectral peaking sources instead of the TeV detection. When the EVPA variations are studied, the rate of EVPA change is similar in both samples. We detect significant EVPA rotations in both TeV and non-TeV sources, showing that rotations can occur in high spectral peaking BL Lac objects when the monitoring cadence is dense enough. Our simulations show that we cannot exclude a random walk origin for these rotations. Conclusions: These results indicate that there are no intrinsic differences in the

Role of the electronegativity for the interface properties of non-polar heterostructures

KAUST Repository

Nazir, Safdar

2012-04-01

Density functional theory is used to investigate the interfaces in the non-polar ATiO 3/SrTiO 3 (A=Pb, Ca, Ba) heterostructures. All TiO 2-terminated interfaces show an insulating behavior. By reduction of the O content in the AO, SrO, and TiO 2 layers, metallic interface states develop, due to the occupation of the Ti 3d orbitals. For PbTiO 3/SrTiO 3, the Pb 6p states cross the Fermi energy. O vacancy formation energies depend strictly on the electronegativity and the effective volume of the A ion, while the main characteristics of the interface electronic states are maintained. © Europhysics Letters Association, 2012.

New parameter-free polarization potentials in low-energy positron collisions

Science.gov (United States)

Jain, Ashok

1990-01-01

The polarization potential plays a decisive role in shaping up the cross sections in low energy positron collisions with atoms and molecules. However, its inclusion without involving any adjustable parameter, is still a challenge. Various other techniques employed so far for positron collisions are summarized, and a new, nonadjustable and very simple form of the polarization potential for positron-atom (molecule) collisions below the threshold of positronium formation is discussed. This new recently proposed potential is based on the correlation energy of a single positron in a homogeneous electron gas. The correlation energy was calculated by solving the Schrodinger equation of the positron-electron system and fitted to an analytical form in various ranges of the density parameter. In the outside region, the correlation energy is joined smoothly with the correct asymptotic form. This new positron correlation polarization (PCOP) potential was tested on several atomic and molecular targets such as the Ar, CO, and CH4. The results on the total and differential cross sections on these targets are shown along with the experimental data where available.

Surface and interface properties of polar gallium nitride layers; Oberflaechen- und Grenzflaecheneigenschaften von polaren Galliumnitrid-Schichten

Energy Technology Data Exchange (ETDEWEB)

Lorenz, Pierre

2010-07-09

The material properties of group III-nitrides allows manifold applications. Especially for the GaN-based gas and biosensor technology, an understanding of the GaN surfaces and their interaction with molecules is crucial for the successful development of sensor systems. Especially the influence of crystal orientation, surface termination and reconstruction on the interaction was analysed. To study the interaction of the GaN surface with molecules the reproducible and controllable preparation of GaN surfaces is necessary. Polar GaN layers were grown by molecular beam epitaxy. The surface reconstruction and termination could be selectively adjusted by the growth parameters or further preparation steps. On the Ga-polar surface, gallium-induced and nitrogen-induced 2 x 2 reconstructed as well as non-reconstructed surface modifications could be generated and on the N-polar surface non-reconstructed. The different surface modifications differ considerably in the formation of surface states. The Ga-induced and N-induced 2 x 2 reconstructed surfaces presented two surface states (SS) at 1.4 eV and 3 eV as well as 2 eV and 3 eV, respectively. The non-reconstructed GaN(0001) presented three SS (1.5 eV, 2.5 eV and 3.4 eV) and the GaN(000-1) one SS (2.5 eV). The theoretical predicted surfaces sates (density functional theory) shows a good agreement with the measurements. The analysis revealed a dependence of the interaction of GaN surfaces with O{sub 2} and H{sub 2}O on the orientation, reconstruction, and surface termination of the films. The GaN(000-1) surface is much more reactive to oxygen and water than the (0001) orientated surfaces, while GaN is in general significantly more sensitive to water than to oxygen. The chemical bond configuration of the adsorbed species shows a significant dependence on surface termination. The measurements presented that the formation of nitrogen oxide and/or gallium oxide bonds depends on the surface modification. Furthermore the interaction

Controlling the branching ratio of photodissociation using aligned molecules

DEFF Research Database (Denmark)

Larsen, J.J.; Wendt-Larsen, I.; Stapelfeldt, H.

1999-01-01

Using a sample of iodine molecules, aligned by a strong, linearly polarized laser pulse, we control the branching ratio of the I+I and I+I* photodissociation channels by a factor of 26. The control relies on selective photoexcitation of two potential curves that each correlate adiabatically...

Spin-polarized current generated by magneto-electrical gating

International Nuclear Information System (INIS)

Ma Minjie; Jalil, Mansoor Bin Abdul; Tan, Seng Ghee

2012-01-01

We theoretically study spin-polarized current through a single electron tunneling transistor (SETT), in which a quantum dot (QD) is coupled to non-magnetic source and drain electrodes via tunnel junctions, and gated by a ferromagnetic (FM) electrode. The I–V characteristics of the device are investigated for both spin and charge currents, based on the non-equilibrium Green's function formalism. The FM electrode generates a magnetic field, which causes a Zeeman spin-splitting of the energy levels in the QD. By tuning the size of the Zeeman splitting and the source–drain bias, a fully spin-polarized current is generated. Additionally, by modulating the electrical gate bias, one can effect a complete switch of the polarization of the tunneling current from spin-up to spin-down current, or vice versa. - Highlights: ► The spin polarized transport through a single electron tunneling transistor is systematically studied. ► The study is based on Keldysh non-equilibrium Green's function and equation of motion method. ► A fully spin polarized current is observed. ► We propose to reverse current polarization by the means of gate voltage modulation. ► This device can be used as a bi-polarization current generator.

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

International Nuclear Information System (INIS)

You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

2015-01-01

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

Energy Technology Data Exchange (ETDEWEB)

You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

2015-11-28

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

How many molecular layers of polar solvent molecules control chemistry? The concept of compensating dipoles.

Science.gov (United States)

Langhals, Heinz; Braun, Patricia; Dietl, Christian; Mayer, Peter

2013-09-27

The extension of the solvent influence of the shell into the volume of a polar medium was examined by means of anti-collinear dipoles on the basis of the E(T)(30) solvent polarity scale (i.e., the molar energy of excitation of a pyridinium-N-phenolatebetaine dye; generally: E(T) =28,591 nm kcal mol(-1)/λmax) where no compensation effects were found. As a consequence, solvent polarity effects are concentrated to a very thin layer of a few thousand picometres around the solute where extensions into the bulk solvent become unimportant. A parallelism to the thin surface layer of water to the gas phase is discussed. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-dipole effects in spin polarization of photoelectrons from 3d electrons of Xe, Cs and Ba

Energy Technology Data Exchange (ETDEWEB)

Amusia, M Ya [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Cherepkov, N A [State University of Aerospace Instrumentation, St. Petersburg 190000 (Russian Federation); Chernysheva, L V [A F Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russian Federation); Felfli, Z [Department of Physics and Center for Theoretical Studies of Physical Systems, Clark Atlanta University, Atlanta GA 30314 (United States); Msezane, A Z [Department of Physics and Center for Theoretical Studies of Physical Systems, Clark Atlanta University, Atlanta GA 30314 (United States)

2005-04-28

The non-dipole contribution to spin polarization of photoelectrons from Xe, Cs and Ba 3d{sub 5/2} and 3d{sub 3/2} levels is calculated. The calculation is carried out within the framework of a modified version of the spin-polarized random phase approximation with exchange. The effects of relaxation of excited electrons due to the 3d-vacancy creation are also accounted for. It is demonstrated that the parameters that characterize the photoelectron angular distribution as functions of the incoming photon energy, although being predictably small, acquire additional peculiarities when the interaction between electrons that belong to the 3d{sub 5/2} and 3d{sub 3/2} components of the spin-orbit doublet is taken into account.

Polarization patterns of the twilight sky

Science.gov (United States)

Cronin, Thomas W.; Warrant, Eric J.; Greiner, Birgit

2005-08-01

Although natural light sources produce depolarized light, patterns of partially linearly polarized light appear in the sky due to scattering from air molecules, dust, and aerosols. Many animals, including bees and ants, orient themselves to patterns of polarization that are present in daytime skies, when the intensity is high and skylight polarization is strong and predictable. The halicitid bee Megalopta genalis inhabits rainforests in Central America. Unlike typical bees, it forages before sunrise and after sunset, when light intensities under the forest canopy are very low, and must find its way to food sources and return to its nest in visually challenging circumstances. An important cue for the orientation could be patterns of polarization in the twilight sky. Therefore, we used a calibrated digital camera to image skylight polarization in an overhead patch of sky, 87.6° across, before dawn on Barro Colorado Island in Panama, where the bees are found. We simultaneously measured the spectral properties of polarized light in a cloudless patch of sky 15° across centered on the zenith. We also performed full-sky imaging of polarization before dawn and after dusk on Lizard Island in Australia, another tropical island. During twilight, celestial polarized light occurs in a wide band stretching perpendicular to the location of the hidden sun and reaching typical degrees of polarization near 80% at wavelengths >600 nm. This pattern appears about 45 minutes before local sunrise or disappears 45 minutes after local sunset (about 20 minutes after the onset of astronomical twilight at dawn, or before its end at dusk) and extends with little change through the entire twilight period. Such a strong and reliable orientation cue could be used for flight orientation by any animal with polarization sensitivity that navigates during twilight.

Analytical study of the non orthogonal stagnation point flow of a micro polar fluid

Directory of Open Access Journals (Sweden)

M. Ali. Abbas

2017-01-01

Full Text Available In this paper we consider the steady two dimensional flow of micro polar fluids on a flat plate. The flow under discussion is the modified Hiemenz flow for a micro polar fluid which occurs in the hjkns + skms boundary layer near an orthogonal stagnation point. The full governing equation reduced to a modified Hiemenz flow. The solution to the boundary value problem is governed by two non dimensional parameters, the material parameter K and the ratio of the micro rotation to skin friction parameter n. The obtained nonlinear coupled ordinary differential equations are solved by using the Homotopy perturbation method. Comparison between numerical and analytical solutions of the problem is shown in tables form for different values of the governing parameters K and n. Effects of the material parameter K on the velocity profile and microrotation profiles for different cases of n are discussed graphically as well as numerically. Velocity profile decreases as the material parameter K increases and the microrotation profile increases as the material parameter K increases for different cases of n.

The spontaneous synchronized dance of pairs of water molecules

Energy Technology Data Exchange (ETDEWEB)

Roncaratti, Luiz F. [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia (Italy); Instituto de Física, Universidade de Brasília, 70910-900 Brasília (Brazil); Cappelletti, David, E-mail: david.cappelletti@unipg.it; Pirani, Fernando [Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia (Italy)

2014-03-28

Molecular beam scattering experiments have been performed to study the effect of long-range anisotropic forces on the collision dynamics of two small polar molecules. The main focus of this paper is on water, but also ammonia and hydrogen sulphide molecules have been investigated, and some results will be anticipated. The intermolecular distances mainly probed are of the order of 1 nm and therefore much larger than the molecular dimensions. In particular, we have found that the natural electric field gradient, generated by different spatial orientations of the permanent electric dipoles, is able to promote the transformation of free rotations into coupled pendular states, letting the molecular partners involved in the collision complex swinging to and fro around the field direction. This long-ranged concerted motion manifested itself as large increases of the magnitude of the total integral cross section. The experimental findings and the theoretical treatment developed to shed light on the details of the process suggest that the transformation from free rotations to pendular states depends on the rotational level of both molecules, on the impact parameter, on the relative collision velocity, on the dipole moment product and occurs in the time scale of picoseconds. The consequences of this intriguing phenomenon may be important for the interpretation and, in perspective, for the control of elementary chemical and biological processes, given by polar molecules, ions, and free radicals, occurring in several environments under various conditions.

The spontaneous synchronized dance of pairs of water molecules

International Nuclear Information System (INIS)

Roncaratti, Luiz F.; Cappelletti, David; Pirani, Fernando

2014-01-01

Molecular beam scattering experiments have been performed to study the effect of long-range anisotropic forces on the collision dynamics of two small polar molecules. The main focus of this paper is on water, but also ammonia and hydrogen sulphide molecules have been investigated, and some results will be anticipated. The intermolecular distances mainly probed are of the order of 1 nm and therefore much larger than the molecular dimensions. In particular, we have found that the natural electric field gradient, generated by different spatial orientations of the permanent electric dipoles, is able to promote the transformation of free rotations into coupled pendular states, letting the molecular partners involved in the collision complex swinging to and fro around the field direction. This long-ranged concerted motion manifested itself as large increases of the magnitude of the total integral cross section. The experimental findings and the theoretical treatment developed to shed light on the details of the process suggest that the transformation from free rotations to pendular states depends on the rotational level of both molecules, on the impact parameter, on the relative collision velocity, on the dipole moment product and occurs in the time scale of picoseconds. The consequences of this intriguing phenomenon may be important for the interpretation and, in perspective, for the control of elementary chemical and biological processes, given by polar molecules, ions, and free radicals, occurring in several environments under various conditions

Molecular photoelectron holography with circularly polarized laser pulses.

Science.gov (United States)

Yang, Weifeng; Sheng, Zhihao; Feng, Xingpan; Wu, Miaoli; Chen, Zhangjin; Song, Xiaohong

2014-02-10

We investigate the photoelectron momentum distribution of molecular-ion H2+driven by ultrashort intense circularly polarized laser pulses. Both numerical solutions of the time-dependent Schrödinger equation (TDSE) and a quasiclassical model indicate that the photoelectron holography (PH) with circularly polarized pulses can occur in molecule. It is demonstrated that the interference between the direct electron wave and rescattered electron wave from one core to its neighboring core induces the PH. Moreover, the results of the TDSE predict that there is a tilt angle between the interference pattern of the PH and the direction perpendicular to the molecular axis. Furthermore, the tilt angle is sensitively dependent on the wavelength of the driven circularly polarized pulse, which is confirmed by the quasiclassical calculations. The PH induced by circularly polarized laser pulses provides a tool to resolve the electron dynamics and explore the spatial information of molecular structures.

Investigation of fingerprints for small polar molecules by using a tunable monochromatic THz source

Science.gov (United States)

Sun, Hongqian

Over the past 20 years, considerable efforts have been dedicated to the generation and the application of electromagnetic waves in the Terahertz (THz) regime. Among all of the proposed applications, the THz spectroscopy is probably the most mature and promising one. According to the previous reports, the THz spectroscopy has been extensively applied into many analysis fields, including the investigation of vibrational modes for the crystalline solids, the characterization of electron transport in the condense matters and the identification of explosive materials at a standoff distance. More interestingly, since most gas phase chemicals exhibit unique transition peaks in the THz spectra, one could in principle achieve highly accurate molecular fingerprinting and chemical sensing as well. However, all of the practical THz spectroscopy applications were still greatly hampered by the lack of suitable sources and detectors. In this thesis, a unique approach to measure the THz spectrum is developed based on a novel tunable narrowband source. Unlike the previous THz systems, high power THz pulses were generated by the difference frequency generation processes between two collinearly propagated near infrared laser beams. To tune the output THz signal frequency, one can simply adjust one of the incident beam frequencies. Therefore, based on a convenient wavelength tuning scheme, the transmission spectra can be measured for a series of polar gases with either similar or distinct molecular structures. According to the measured spectra, it is found that the obtained transition frequencies, absorption intensities and molecular constants are all in good agreement with the theoretical results tabulated in the molecular spectroscopic databases, such as the HITRAN database. By further analyzing the transition frequencies, it is also discovered that one can confidently identify each polar molecule and differentiate between various isotopic variants based on their characteristic

Analysis of functional organic molecules at noble metal surfaces by means of vibrational spectroscopies

Energy Technology Data Exchange (ETDEWEB)

Leyssner, Felix

2011-10-24

The goal of this work is to optimize the efficiency of photoinduced molecular switching processes on surfaces via controlled variations of the adsorption and electronic properties of the switch. We investigated the influence of external stimuli, i.e. photons and thermal activation, on surface bound molecular switches undergoing trans/cis-isomerizations and ring-opening/closing-reactions, respectively. High resolution electron energy loss spectroscopy (HREELS) and sum-frequency generation (SFG) spectroscopy have been used as the main tools to investigate the adsorption behavior and the molecular switching properties. Two basic concepts of coupling the molecular switch to the surface have been studied: (i) physisorbed or weakly chemisorbed systems deposited on noble metal surfaces under UHV conditions and (ii) molecular switches bound covalently via anchor groups. In the HREELS study following concept (i), we investigated the adsorption geometry and isomerization behavior of various molecular switches on metal substrates which are able to undergo a photoinduced trans/cis-isomerization in solution. We investigated three isoelectronic molecules on Au where we systematically changed the photochemically active group from the diazo-group in an azobenzene-derivative (on Cu(111)) to the imine-group, and the vinylene-group, respectively. Finding the photoisomerization quenched for all systems we observed considerable differences in their thermal isomerization behavior. Comparable we find the photoinduced ring-opening/closing-reaction of spiropyran quenched on Au(111) but a thermally induced ring-opening reaction resulting in the open form being strongly stabilized by the metal. SFG spectroscopy is employed to investigate the reversible, photoinduced trans/cis-isomerization of an azobenzene-functionalized self-assembled monolayer (SAM) on gold using a tripodal linker system. In consequence of the decoupling provided by the tripodal linker, the switching behavior of the

In vitro biocompatibility and proliferative effects of polar and non-polar extracts of cucurbita ficifolia on human mesenchymal stem cells.

Science.gov (United States)

Aristatile, Balakrishnan; Alshammari, Ghedeir M

2017-05-01

Cucurbita ficifolia (C. ficifolia) has been traditionally known for its medicinal properties as an antioxidant, anti-diabetic and anti-inflammatory agent. However, there has been an enduring attention towards the identification of unique method, to isolate the natural components for therapeutic applications. Our study focuses on different polar and non-polar solvents (methanol, hexane and chloroform) to extract the bioactive components from C. ficifolia (pumpkin) and to study the biocompatibility and cytotoxicity effects on human bone marrow-mesenchymal stem cells (hBM-MSCs). The extracts were screened for their effects on cytotoxicity, cell proliferation and cell cycle on the hBM-MSCs cell line. The assays demonstrated that the chloroform extract was highly biocompatible, with less cytotoxic effect, and enhanced the cell proliferation. The methanol extract did not exhibit significant cytotoxicity when compare to the control. Concordantly, the cell cycle analysis confirmed that chloroform extract enhances the proliferation at lower concentrations. On the other hand, hexane extract showed high level of cytotoxicity with apoptotic and necrotic changes in hBM-MSCs. Collectively, our data revealed that chloroform is a good candidate to extract the bioactive components from C. ficifolia. Furthermore, our results suggest that specific gravity and density of the solvent might play a crucial role in the extraction process, which warrants further investigations. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Proton polarizing system with Ar-ion laser for p-vector-RI scattering experiments

International Nuclear Information System (INIS)

Wakui, T.; Hatano, M.; Sakai, H.; Uesaka, T.; Tamii, A.

2005-01-01

A proton polarizing system for use in scattering experiments with radioactive isotope beams is described. Protons in a naphthalene crystal doped with pentacene are polarized in a magnetic field of 0.3T at 100K by transferring a large population difference among the photo-excited triplet states of pentacene to the hydrogen nuclei. An Ar-ion laser, which demands minimal maintenance during scattering experiments, is employed to excite the pentacene molecules. A proton polarization of 37% is obtained

Dielectric relaxation of guest molecules in a clathrate structure of syndiotactic polystyrene.

Science.gov (United States)

Urakawa, Osamu; Kaneko, Fumitoshi; Kobayashi, Hideo

2012-12-13

Structure and dynamics of semicrystalline polymer films composed of syndiotactic polystyrene (sPS) and 2-butanone were examined through X-ray diffraction, polarized FTIR, and dielectric relaxation measurements. The X-ray and FTIR measurements revealed its crystal structure to be δ-clathrate containing 2-butanone molecules inside. The carbonyl group of 2-butanone in the crystal was found to orient preferentially parallel to the ac plane of the crystal through the polarized ATR FTIR measurements. Dielectric measurements were also conducted on these film samples to see only the relaxation dynamics of 2-butanone thanks to the high dielectric intensity of 2-butanone compared to sPS. Two relaxation modes denoted by slow and fast modes appeared. The former was assigned to the motion of 2-butanone molecules entrapped in the cavities of the crystalline (δ-form) and the latter to those in the amorphous region. We focused on the slow mode in order to elucidate the specific dynamics of the guest molecule confined in the crystalline region. The relaxation time of the slow mode was about 4 orders of magnitude longer than that of liquid 2-butanone. This suggests that the dynamics of guest molecules is highly restricted due to the high barrier to conformational and/or orientational change of the guest molecule in the cavity of δ-crystal. Furthermore, the dielectric intensity Δε of the slow mode was much smaller than the one calculated from that of bulk liquid 2-butanone and the guest concentration in the crystalline region (the intensity was only 10% of the estimated value from the bulk liquid data). This result also indicates that the free rotational motion of 2-butanone molecules is restricted inside the crystal. This will be consistently related to the weak uniplanar orientation of the carbonyl group of 2-butanone parallel to the ac plane revealed by the X-ray and polarized ATR FTIR measurements.

New mechanisms for non-porative ultrasound stimulation of cargo delivery to cell cytosol with targeted perfluorocarbon nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Soman, N R; Marsh, J N; Lanza, G M; Wickline, S A [Washington University School of Medicine, Consortium for Translational Research in Advanced Imaging and Nanomedicine, CTRAIN, Campus Box 8215, St Louis, MO 63110 (United States)], E-mail: saw@wuphys.wustl.edu

2008-05-07

The cell membrane constitutes a major barrier for non-endocytotic intracellular delivery of therapeutic molecules from drug delivery vehicles. Existing approaches to breaching the cell membrane include cavitational ultrasound (with microbubbles), electroporation and cell-penetrating peptides. We report the use of diagnostic ultrasound for intracellular delivery of therapeutic bulky cargo with the use of molecularly targeted liquid perfluorocarbon (PFC) nanoparticles. To demonstrate the concept, we used a lipid with a surrogate polar head group, nanogold-DPPE, incorporated into the nanoparticle lipid monolayer. Melanoma cells were incubated with nanogold particles and this was followed by insonication with continuous wave ultrasound (2.25 MHz, 5 min, 0.6 MPa). Cells not exposed to ultrasound showed gold particles partitioned only in the outer bilayer of the cell membrane with no evidence of the intracellular transit of nanogold. However, the cells exposed to ultrasound exhibited numerous nanogold-DPPE components inside the cell that appeared polarized inside intracellular vesicles demonstrating cellular uptake and trafficking. Further, ultrasound-exposed cells manifested no incorporation of calcein or the release of lactate dehydrogenase. These observations are consistent with a mechanism that suggests that ultrasound is capable of stimulating the intracellular delivery of therapeutic molecules via non-porative mechanisms. Therefore, non-cavitational adjunctive ultrasound offers a novel paradigm in intracellular cargo delivery from PFC nanoparticles.

New mechanisms for non-porative ultrasound stimulation of cargo delivery to cell cytosol with targeted perfluorocarbon nanoparticles

International Nuclear Information System (INIS)

Soman, N R; Marsh, J N; Lanza, G M; Wickline, S A

2008-01-01

The cell membrane constitutes a major barrier for non-endocytotic intracellular delivery of therapeutic molecules from drug delivery vehicles. Existing approaches to breaching the cell membrane include cavitational ultrasound (with microbubbles), electroporation and cell-penetrating peptides. We report the use of diagnostic ultrasound for intracellular delivery of therapeutic bulky cargo with the use of molecularly targeted liquid perfluorocarbon (PFC) nanoparticles. To demonstrate the concept, we used a lipid with a surrogate polar head group, nanogold-DPPE, incorporated into the nanoparticle lipid monolayer. Melanoma cells were incubated with nanogold particles and this was followed by insonication with continuous wave ultrasound (2.25 MHz, 5 min, 0.6 MPa). Cells not exposed to ultrasound showed gold particles partitioned only in the outer bilayer of the cell membrane with no evidence of the intracellular transit of nanogold. However, the cells exposed to ultrasound exhibited numerous nanogold-DPPE components inside the cell that appeared polarized inside intracellular vesicles demonstrating cellular uptake and trafficking. Further, ultrasound-exposed cells manifested no incorporation of calcein or the release of lactate dehydrogenase. These observations are consistent with a mechanism that suggests that ultrasound is capable of stimulating the intracellular delivery of therapeutic molecules via non-porative mechanisms. Therefore, non-cavitational adjunctive ultrasound offers a novel paradigm in intracellular cargo delivery from PFC nanoparticles

New mechanisms for non-porative ultrasound stimulation of cargo delivery to cell cytosol with targeted perfluorocarbon nanoparticles

Science.gov (United States)

Soman, N. R.; Marsh, J. N.; Lanza, G. M.; Wickline, S. A.

2008-05-01

The cell membrane constitutes a major barrier for non-endocytotic intracellular delivery of therapeutic molecules from drug delivery vehicles. Existing approaches to breaching the cell membrane include cavitational ultrasound (with microbubbles), electroporation and cell-penetrating peptides. We report the use of diagnostic ultrasound for intracellular delivery of therapeutic bulky cargo with the use of molecularly targeted liquid perfluorocarbon (PFC) nanoparticles. To demonstrate the concept, we used a lipid with a surrogate polar head group, nanogold-DPPE, incorporated into the nanoparticle lipid monolayer. Melanoma cells were incubated with nanogold particles and this was followed by insonication with continuous wave ultrasound (2.25 MHz, 5 min, 0.6 MPa). Cells not exposed to ultrasound showed gold particles partitioned only in the outer bilayer of the cell membrane with no evidence of the intracellular transit of nanogold. However, the cells exposed to ultrasound exhibited numerous nanogold-DPPE components inside the cell that appeared polarized inside intracellular vesicles demonstrating cellular uptake and trafficking. Further, ultrasound-exposed cells manifested no incorporation of calcein or the release of lactate dehydrogenase. These observations are consistent with a mechanism that suggests that ultrasound is capable of stimulating the intracellular delivery of therapeutic molecules via non-porative mechanisms. Therefore, non-cavitational adjunctive ultrasound offers a novel paradigm in intracellular cargo delivery from PFC nanoparticles.

Communication: Potentials of mean force study of ionic liquid ion pair aggregation in polar covalent molecule solvents

Science.gov (United States)

Bandlamudi, Santosh Rathan Paul; Benjamin, Kenneth M.

2018-05-01

Molecular dynamics (MD) simulations were conducted for 1-ethyl-3-methylimidazolium methylsulfate [EMIM][MeSO4] dissolved in six polar covalent molecules [acetic acid, acetone, chloroform, dimethyl sulfoxide (DMSO), isopropyl alcohol, and methanol] to understand the free energies of ionic liquid (IL) ion pairing/aggregation in the limit of infinite dilution. Free energy landscapes or potentials of mean force (PMF) were computed using umbrella sampling and the weighted histogram analysis method. The PMF studies showed the strongest IL ion pairing in chloroform, and the strength of IL ion pairing decreases in the order of chloroform, acetone, propanol, acetic acid, DMSO, and methanol. In the limit of infinite dilution, the free energy curves for IL ion aggregation in co-solvents were characterized by two distinct minima [global (˜3.6 Å) and local (˜5.7 Å)], while free energy values at these minima differed significantly for IL in each co-solvent. The PMF studies were extended for determining the free energy of IL ion aggregation as a function of concentration of methanol. Studies showed that as the concentration of methanol increased, the free energy of ion aggregation decreased, suggesting greater ion pair stability, in agreement with previously reported MD clustering and radial distribution function data.

Evidence for excited state intramolecular charge transfer reaction in donor-acceptor molecule 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid methyl ester: Experimental and quantum chemical approach

International Nuclear Information System (INIS)

Kumar Paul, Bijan; Samanta, Anuva; Kar, Samiran; Guchhait, Nikhil

2010-01-01

Intramolecular charge transfer (ICT) reaction has been investigated in 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid methyl ester (DPDAME) using spectroscopic techniques. The molecule DPDAME shows local emission in non-polar solvent and dual emission in polar solvents. Solvatochromic effects on the Stokes shifted emission band clearly demonstrate the charge transfer character of the excited state. Quantum chemical calculations have been performed at Hartree-Fock (HF) and density functional theoretical (DFT) levels to correlate the experimental findings. Potential energy curves (PECs) for the ICT reaction have been evaluated along the donor twist angle at DFT and time dependent density functional theory (TDDFT) levels for the ground and excited states, respectively, using B3LYP hybrid functional and 6-31G** basis set. The solvent effects on the spectral properties have been explored theoretically at the same level with time dependent density functional theory-polarized continuum model (TDDFT-PCM) and the theoretical results are found to well substantiate the solvent polarity dependent Stokes shifted emission of DPDAME. Huge enhancement of dipole moment (Δμ=16.42 D) of the molecule following photoexcitation dictates the highly polar character of the excited state. Although elucidation of PECs does not exactly predict the operation of ICT according to twisted intramolecular charge transfer (TICT) model in DPDAME, lowering of vertical transition energy as a function of the donor twist coordinate scripts the occurrence of red shifted emission as observed experimentally.

Photochemical dynamics of surface oriented molecules

International Nuclear Information System (INIS)

Ho, W.

1992-01-01

The period 8/01/91-7/31/92 is the first year of a new project titled ''Photochemical Dynamics of Surface Oriented Molecules'', initiated with DOE Support. The main objective of this project is to understand the dynamics of elementary chemical reactions by studying photochemical dynamics of surface-oriented molecules. In addition, the mechanisms of photon-surface interactions need to be elucidated. The strategy is to carry out experiments to measure the translational energy distribution, as a function of the angle from the surface normal, of the photoproducts by time-of-flight (TOF) technique by varying the photon wavelength, intensity, polarization, and pulse duration. By choosing adsorbates with different bonding configuration, the effects of adsorbate orientation on surface photochemical dynamics can be studied

Consistent force field modeling of matrix isolated molecules. V. Minimum energy path potential to the conformer conversion of 1,2-difluoroethane: Ar 364, ab initio calculation of electric multipole moments and electric polarization contribution to the conversion barrier

Science.gov (United States)

Gunde, R.; Ha, T.-K.; Günthard, H. H.

1990-08-01

In this paper results of consistent force field modeling (CFF) of the potential function to conversion of the gauche (g) to the trans (t) conformer of 1,2-difluoroethane (DFE) isolated in an argon matrix will be reported. Starting point are locally stable configurations gDFE:Ar 364 (defect GH1) and tDFE:Ar 364 (TH1) obtained in previous work from CFF modeling of a cube shaped Ar 364 fragment containing one DFE molecule in its center. Using the dihedral angle of DFE as an independent parameter the minimum energy path of the conversion process gDFE:Ar 364→tDFE:Ar 364 will be determined by CFF energy minimization. Determination of the minimum energy path is found to require large numbers of energy minimization steps and to lead to a rather complicated motion of the molecule with respect to the crystal fragment. Surprisingly the molecule-matrix interactions lead to a reduction of the g-t barrier by ≈500 cal/mol and to a stabilization of the trans species by ≈500 cal/mol. This finding is a consequence of a delicate interplay of matrix-molecule and matrix-matrix interactions. Calculation of the electric polarization energy (induced dipole-first-order polarization approximation) is based on extended ab initio calculations of dipole and quadrupole moments and a bond polarizability estimate of the first-order polarizability of DFE as a function of the internal rotation angle, on Fourier expansion of multipole components and use of symmetry for reduction of the order of the linear system defining the (self-consistent) induced dipole moments of all Ar atoms. Electric polarization is found to alter the potential function of the conversion process in a profound way: the g-t barrier and the t-g energy difference are increased to ≈3000 cal/mol and to ≈1500 cal/mol respectively (≈2500 and ≈530 cal/mol respectively for free DFE). Further applications of the technique developed in this work to related problems of matrix isolated molecules, e.g., vibrational matrix

Study on the polarity, solubility, and stacking characteristics of asphaltenes

KAUST Repository

Zhang, Long-li

2014-07-01

The structure and transformation of fused aromatic ring system in asphaltenes play an important role in the character of asphaltenes, and in step affect the properties of heavy oils. Polarity, solubility and structural characteristics of asphaltenes derived from Tahe atmospheric residue (THAR) and Tuo-826 heavy crude oil (Tuo-826) were analyzed for study of their internal relationship. A fractionation method was used to separate the asphaltenes into four sub-fractions, based on their solubility in the mixed solvent, for the study of different structural and physical-chemical properties, such as polarity, solubility, morphology, stacking characteristics, and mean structural parameters. Transmission electron microscope (TEM) observation can present the intuitive morphology of asphaltene molecules, and shows that the structure of asphaltenes is in local order as well as long range disorder. The analysis results showed that n-heptane asphaltenes of THAR and Tuo-826 had larger dipole moment values, larger fused aromatic ring systems, larger mean number of stacking layers, and less interlayer spacing between stacking layers than the corresponding n-pentane asphaltenes. The sub-fractions that were inclined to precipitate from the mixture of n-heptane and tetrahydrofuran had larger polarity and less solubility. From the first sub-fraction to the fourth sub-fraction, polarity, mean stacking numbers, and average layer size from the TEM images follow a gradual decrease. The structural parameters derived from TEM images could reflect the largest fused aromatic ring system in asphaltene molecule, yet the parameters derived from 1H NMR data reflected the mean message of poly-aromatic ring systems. The structural parameters derived from TEM images were more consistent with the polarity variation of sub-fractions than those derived from 1H NMR data, which indicates that the largest fused aromatic ring system will play a more important role in the stacking characteristics of

Cell biochemistry studied by single-molecule imaging.

Science.gov (United States)

Mashanov, G I; Nenasheva, T A; Peckham, M; Molloy, J E

2006-11-01

Over the last decade, there have been remarkable developments in live-cell imaging. We can now readily observe individual protein molecules within living cells and this should contribute to a systems level understanding of biological pathways. Direct observation of single fluorophores enables several types of molecular information to be gathered. Temporal and spatial trajectories enable diffusion constants and binding kinetics to be deduced, while analyses of fluorescence lifetime, intensity, polarization or spectra give chemical and conformational information about molecules in their cellular context. By recording the spatial trajectories of pairs of interacting molecules, formation of larger molecular complexes can be studied. In the future, multicolour and multiparameter imaging of single molecules in live cells will be a powerful analytical tool for systems biology. Here, we discuss measurements of single-molecule mobility and residency at the plasma membrane of live cells. Analysis of diffusional paths at the plasma membrane gives information about its physical properties and measurement of temporal trajectories enables rates of binding and dissociation to be derived. Meanwhile, close scrutiny of individual fluorophore trajectories enables ideas about molecular dimerization and oligomerization related to function to be tested directly.

Rotational cooling of polar molecules by Stark-tuned cavity resonance

International Nuclear Information System (INIS)

Ooi, C. H. Raymond

2003-01-01

A general scheme for rotational cooling of diatomic heteronuclear molecules is proposed. It uses a superconducting microwave cavity to enhance the spontaneous decay via Purcell effect. Rotational cooling can be induced by sequentially tuning each rotational transition to cavity resonance, starting from the highest transition level to the lowest one using an electric field. Electrostatic multipoles can be used to provide large confinement volume with essentially homogeneous background electric field

Superradiance Effects in the Linear and Nonlinear Optical Response of Quantum Dot Molecules

Science.gov (United States)

Sitek, A.; Machnikowski, P.

2008-11-01

We calculate the linear optical response from a single quantum dot molecule and the nonlinear, four-wave-mixing response from an inhomogeneously broadened ensemble of such molecules. We show that both optical signals are affected by the coupling-dependent superradiance effect and by optical interference between the two polarizations. As a result, the linear and nonlinear responses are not identical.

Polarization of sky light from a canopy atmosphere

International Nuclear Information System (INIS)

Hannay, J H

2004-01-01

Light from the clear sky is produced by the scattering of unpolarized sunlight by molecules of the atmosphere and is partially linearly polarized in the process. Singly scattered light, for instance, is fully polarized in viewing directions perpendicular to the sun direction and less and less so towards the parallel and antiparallel directions, where it is unpolarized. The true, multiple, scattering is much less tractable, but importantly different, changing the polarization pattern's topology by splitting the unpolarized directions into pairs. The underlying cause of this 'symmetry breaking' is that the atmosphere is 'wider' than it is deep. Simplifying as much as possible while retaining this feature leads to the caricature atmosphere analysed here: a flattened sheet atmosphere in the sky, a canopy. The multiple scattering is fully tractable and leads to a simple polarization pattern in the sky: the ellipses and hyperbolas of standard confocal ellipsoidal coordinates. The model realizes physically a mathematical pattern of polarization in terms of a complex function proposed by Berry, Dennis and Lee (2004 New J. Phys.6 162) as the simplest one which captures the topology

The gravitational polarization in general relativity: solution to Szekeres' model of quadrupole polarization

International Nuclear Information System (INIS)

Montani, Giovanni; Ruffini, Remo; Zalaletdinov, Roustam

2003-01-01

A model for the static weak-field macroscopic medium is analysed and the equation for the macroscopic gravitational potential is derived. This is a biharmonic equation which is a non-trivial generalization of the Poisson equation of Newtonian gravity. In the case of strong gravitational quadrupole polarization, it essentially holds inside a macroscopic matter source. Outside the source the gravitational potential fades away exponentially. The equation is equivalent to a system of the Poisson equation and the non-homogeneous modified Helmholtz equations. The general solution to this system is obtained by using the Green function method and it is not limited to Newtonian gravity. In the case of insignificant gravitational quadrupole polarization, the equation for macroscopic gravitational potential becomes the Poisson equation with the matter density renormalized by a factor including the value of the quadrupole gravitational polarization of the source. The general solution to this equation obtained by using the Green function method is limited to Newtonian gravity

A Tunable Polarization-Dependent Terahertz Metamaterial Absorber Based on Liquid Crystal

Directory of Open Access Journals (Sweden)

Guangsheng Deng

2018-02-01

Full Text Available In this paper, a tunable polarization-dependent terahertz (THz metamaterial absorber based on liquid crystal (LC is presented. The measurement results show that absorption peak is at 239.5 GHz for a TE-polarized wave and 306.6 GHz for a TM-polarized wave, without exerting the bias voltage on the LC layer. An increase in bias voltage affects the orientation of LC molecules and causes redshifted resonant frequencies. By adjusting the bias voltage from 0 to 10 V, frequency tunabilities of 4.7% and 4.1% for TE- and TM-polarized waves, respectively, were experimentally demonstrated. Surface current and power loss distribution was analyzed to explain the physical mechanism of the absorber, while the absorption dependence on geometrical parameters and incident angles was also studied in detail. According to the obtained results, the proposed absorber is shown here to be capable of achieving tunable polarization-dependent absorption, and to have potential application in terahertz polarization imaging, terahertz sensing, and polarization multiplexing.

Non-Dirac Chern insulators with large band gaps and spin-polarized edge states.

Science.gov (United States)

Xue, Y; Zhang, J Y; Zhao, B; Wei, X Y; Yang, Z Q

2018-05-10

Based on first-principles calculations and k·p models, we demonstrate that PbC/MnSe heterostructures are a non-Dirac type of Chern insulator with very large band gaps (244 meV) and exotically half-metallic edge states, providing the possibilities of realizing very robust, completely spin polarized, and dissipationless spintronic devices from the heterostructures. The achieved extraordinarily large nontrivial band gap can be ascribed to the contribution of the non-Dirac type electrons (composed of px and py) and the very strong atomic spin-orbit coupling (SOC) interaction of the heavy Pb element in the system. Surprisingly, the band structures are found to be sensitive to the different exchange and correlation functionals adopted in the first-principles calculations. Chern insulators with various mechanisms are acquired from them. These discoveries show that the predicted nontrivial topology in PbC/MnSe heterostructures is robust and can be observed in experiments at high temperatures. The system has great potential to have attractive applications in future spintronics.

Polarization-dependent NEXAFS study of adsorption of long-chain surfactants on mechanically milled iron powder

Energy Technology Data Exchange (ETDEWEB)

Syugaev, A.V., E-mail: syual@mail.ru; Maratkanova, A.N.

2014-08-15

Highlights: • Plate-like particles modified with surfactant molecules were obtained under high-energy ball milling. • Adsorption layers were studied with polarization-dependent NEXAFS spectroscopy. • For the first time, arrangement of surfactants molecules on the powdered metal surface has been determined. • Tails of surfactant molecules (C-F/C-H) are shown to be oriented perpendicular to the particle surface. • Arrangement of carboxylate groups on the particle surfaces is discussed. - Abstract: In this work we have demonstrated the possibility of using the polarization-dependent NEXAFS spectra to study the structure of organic layers at the surface of powdered materials with plate-like shaped particles. The polarization dependence of the NEXAFS spectra may be easily obtained by just changing the angle between the X-ray beam direction and the substrate onto which the powder particles are set. For the first time, we have carried out a detailed study of the surfactant layers (n-perfluorononanoic and stearic acid), which are formed at the surface of iron plate-like particles under mechanical milling of iron powder with an addition of corresponding surfactants. The surfactant molecules are predominantly oriented perpendicular to the surface of the mechanically milled particles. Such orientation is similar to the arrangement of the molecules in the layers formed under equilibrium conditions, e.g. deposition from solutions. The changes in the chemical environment occurring in the molecule tails (defluorination or dehydrogenation) under mechanochemical treatment, do not result in a significant change in the molecular orientation and disordering of the adsorbed layer.

Detection of polar vapours

International Nuclear Information System (INIS)

Blyth, D.A.

1980-01-01

Apparatus for monitoring for polar vapours in a gas consists of (i) a body member defining a passage through which a continuous stream of the gas passes; (ii) an ionising source associated with a region of the passage such that ionization of the gas stream takes place substantially only within the region and also any polar vapour molecules present therein will react with the gas formed to generate ion clusters; and (iii) an electrode for collecting ions carried by the gas stream, the electrode being positioned in the passage downstream of the region and separated from the region by a sufficient distance to ensure that no substantial number of the gas ions formed in said region remains in the gas stream at the collector electrode whilst ensuring that a substantial proportion of the ion clusters formed in the region does remain in the gas stream at the collector electrode. (author)

Spin-polarized photoemission

International Nuclear Information System (INIS)

Johnson, Peter D.

1997-01-01

Spin-polarized photoemission has developed into a versatile tool for the study of surface and thin film magnetism. In this review, we examine the methodology of the technique and its application to a number of different problems, including both valence band and core level studies. After a detailed review of spin-polarization measurement techniques and the related experimental requirements we consider in detail studies of the bulk properties both above and below the Curie temperature. This section also includes a discussion of observations relating to unique metastable phases obtained via epitaxial growth. The application of the technique to the study of surfaces, both clean and adsorbate covered, is reviewed. The report then examines, in detail, studies of the spin-polarized electronic structure of thin films and the related interfacial magnetism. Finally, observations of spin-polarized quantum well states in non-magnetic thin films are discussed with particular reference to their mediation of the oscillatory exchange coupling in related magnetic multilayers. (author)

Maintained expression of the planar cell polarity molecule Vangl2 and reformation of hair cell orientation in the regenerating inner ear.

Science.gov (United States)

Warchol, Mark E; Montcouquiol, Mireille

2010-09-01

The avian inner ear possesses a remarkable ability to regenerate sensory hair cells after ototoxic injury. Regenerated hair cells possess phenotypes and innervation that are similar to those found in the undamaged ear, but little is known about the signaling pathways that guide hair cell differentiation during the regenerative process. The aim of the present study was to examine the factors that specify the orientation of hair cell stereocilia bundles during regeneration. Using organ cultures of the chick utricle, we show that hair cells are properly oriented after having regenerated entirely in vitro and that orientation is not affected by surgical removal of the striolar reversal zone. These results suggest that the orientation of regenerating stereocilia is not guided by the release of a diffusible morphogen from the striolar reversal zone but is specified locally within the regenerating sensory organ. In order to determine the nature of the reorientation cues, we examined the expression patterns of the core planar cell polarity molecule Vangl2 in the normal and regenerating utricle. We found that Vangl2 is asymmetrically expressed on cells within the sensory epithelium and that this expression pattern is maintained after ototoxic injury and throughout regeneration. Notably, treatment with a small molecule inhibitor of c-Jun-N-terminal kinase disrupted the orientation of regenerated hair cells. Both of these results are consistent with the hypothesis that noncanonical Wnt signaling guides hair cell orientation during regeneration.

Nuclear reactivity indices in the context of spin polarized density functional theory

International Nuclear Information System (INIS)

Cardenas, Carlos; Lamsabhi, Al Mokhtar; Fuentealba, Patricio

2006-01-01

In this work, the nuclear reactivity indices of density functional theory have been generalized to the spin polarized case and their relationship to electron spin polarized indices has been established. In particular, the spin polarized version of the nuclear Fukui function has been proposed and a finite difference approximation has been used to evaluate it. Applications to a series of triatomic molecules demonstrate the ability of the new functions to predict the geometrical changes due to a change in the spin multiplicity. The main equations in the different ensembles have also been presented

A charge-polarized porous metal-organic framework for gas chromatographic separation of alcohols from water.

Science.gov (United States)

Sun, Jian-Ke; Ji, Min; Chen, Cheng; Wang, Wu-Gen; Wang, Peng; Chen, Rui-Ping; Zhang, Jie

2013-02-25

A bipyridinium ligand with a charge separated skeleton has been introduced into a metal-organic framework to yield a porous material with charge-polarized pore space, which exhibits selective adsorption for polar guest molecules and can be further used in gas chromatography for the separation of alcohol-water mixtures.

NON-RACEMIC AMINO ACID PRODUCTION BY ULTRAVIOLET IRRADIATION OF ACHIRAL INTERSTELLAR ICE ANALOGS WITH CIRCULARLY POLARIZED LIGHT

International Nuclear Information System (INIS)

De Marcellus, Pierre; Nuevo, Michel; Danger, Gregoire; Deboffle, Dominique; Le Sergeant d'Hendecourt, Louis; Meinert, Cornelia; Filippi, Jean-Jacques; Meierhenrich, Uwe J.; Nahon, Laurent

2011-01-01

The delivery of organic matter to the primitive Earth via comets and meteorites has long been hypothesized to be an important source for prebiotic compounds such as amino acids or their chemical precursors that contributed to the development of prebiotic chemistry leading, on Earth, to the emergence of life. Photochemistry of inter/circumstellar ices around protostellar objects is a potential process leading to complex organic species, although difficult to establish from limited infrared observations only. Here we report the first abiotic cosmic ice simulation experiments that produce species with enantiomeric excesses (e.e.'s). Circularly polarized ultraviolet light (UV-CPL) from a synchrotron source induces asymmetric photochemistry on initially achiral inter/circumstellar ice analogs. Enantioselective multidimensional gas chromatography measurements show significant e.e.'s of up to 1.34% for ( 13 C)-alanine, for which the signs and absolute values are related to the helicity and number of CPL photons per deposited molecule. This result, directly comparable with some L excesses measured in meteorites, supports a scenario in which exogenous delivery of organics displaying a slight L excess, produced in an extraterrestrial environment by an asymmetric astrophysical process, is at the origin of biomolecular asymmetry on Earth. As a consequence, a fraction of the meteoritic organic material consisting of non-racemic compounds may well have been formed outside the solar system. Finally, following this hypothesis, we support the idea that the protosolar nebula has indeed been formed in a region of massive star formation, regions where UV-CPL of the same helicity is actually observed over large spatial areas.

Solitons in proteins at non-zero temperatures with allowance for the fluctuations of polarization

International Nuclear Information System (INIS)

Simo, E.; Caputo, J.G.

2007-06-01

A model for the nonlinear transfer of vibrational energy in molecular chains is derived at temperatures of realistic interest for transport in proteins. The study includes the influence of the fluctuations of polarization in the chain. This theory exhibits a new form of temperature-dependence in intrinsic parameters of alpha-helix, and consequently in the coefficients of the nonlinear Schroedinger equation governing the system and in the solitons' parameters. Thermal fluctuations are analysed in the basis of the non-Gaussian approximation and the total free-energy of the alpha-helix is determined to elucidate the denaturation process of the protein. (author)

Y2K+1 state-of-the-art on non-peptide phosphoantigens, a novel category of immunostimulatory molecules.

Science.gov (United States)

Espinosa, E; Belmant, C; Sicard, H; Poupot, R; Bonneville, M; Fournié, J J

2001-07-01

Some human T cells are activated in vivo and in vitro by small non-peptide antigens, so-called phosphoantigens. Since their discovery in 1994, several reports have continuously documented novel members of this category of immunostimulatory molecules. This article reviews the current knowledge on their biochemical properties.

Decay of Polarons and Molecules in a Strongly Polarized Fermi Gas

DEFF Research Database (Denmark)

Bruun, Georg; Massignan, P.

2010-01-01

, and that it vanishes much faster than the energy difference between the two states, thereby confirming the first order nature of the polaron-molecule transition. In the regime where each state is metastable, we find quasiparticle lifetimes which are much longer than what is expected for a usual Fermi liquid. Our...

Development of a Precise Polarization Modulator for UV Spectropolarimetry

Science.gov (United States)

Ishikawa, S.; Shimizu, T.; Kano, R.; Bando, T.; Ishikawa, R.; Giono, G.; Tsuneta, S.; Nakayama, S.; Tajima, T.

2015-10-01

We developed a polarization modulation unit (PMU) to rotate a waveplate continuously in order to observe solar magnetic fields by spectropolarimetry. The non-uniformity of the PMU rotation may cause errors in the measurement of the degree of linear polarization (scale error) and its angle (crosstalk between Stokes-Q and -U), although it does not cause an artificial linear polarization signal (spurious polarization). We rotated a waveplate with the PMU to obtain a polarization modulation curve and estimated the scale error and crosstalk caused by the rotation non-uniformity. The estimated scale error and crosstalk were {PMU will be used as a waveplate motor for the Chromospheric Lyman-Alpha SpectroPolarimeter (CLASP) rocket experiment. We confirm that the PMU performs and functions sufficiently well for CLASP.

Ion mobilities in diatomic gases: measurement versus prediction with non-specular scattering models.

Science.gov (United States)

Larriba, Carlos; Hogan, Christopher J

2013-05-16

Ion/electrical mobility measurements of nanoparticles and polyatomic ions are typically linked to particle/ion physical properties through either application of the Stokes-Millikan relationship or comparison to mobilities predicted from polyatomic models, which assume that gas molecules scatter specularly and elastically from rigid structural models. However, there is a discrepancy between these approaches; when specular, elastic scattering models (i.e., elastic-hard-sphere scattering, EHSS) are applied to polyatomic models of nanometer-scale ions with finite-sized impinging gas molecules, predictions are in substantial disagreement with the Stokes-Millikan equation. To rectify this discrepancy, we developed and tested a new approach for mobility calculations using polyatomic models in which non-specular (diffuse) and inelastic gas-molecule scattering is considered. Two distinct semiempirical models of gas-molecule scattering from particle surfaces were considered. In the first, which has been traditionally invoked in the study of aerosol nanoparticles, 91% of collisions are diffuse and thermally accommodating, and 9% are specular and elastic. In the second, all collisions are considered to be diffuse and accommodating, but the average speed of the gas molecules reemitted from a particle surface is 8% lower than the mean thermal speed at the particle temperature. Both scattering models attempt to mimic exchange between translational, vibrational, and rotational modes of energy during collision, as would be expected during collision between a nonmonoatomic gas molecule and a nonfrozen particle surface. The mobility calculation procedure was applied considering both hard-sphere potentials between gas molecules and the atoms within a particle and the long-range ion-induced dipole (polarization) potential. Predictions were compared to previous measurements in air near room temperature of multiply charged poly(ethylene glycol) (PEG) ions, which range in morphology from

New small molecule inhibitors of histone methyl transferase DOT1L with a nitrile as a non-traditional replacement for heavy halogen atoms.

Science.gov (United States)

Spurr, Sophie S; Bayle, Elliott D; Yu, Wenyu; Li, Fengling; Tempel, Wolfram; Vedadi, Masoud; Schapira, Matthieu; Fish, Paul V

2016-09-15

A number of new nucleoside derivatives are disclosed as inhibitors of DOT1L activity. SARs established that DOT1L inhibition could be achieved through incorporation of polar groups and small heterocycles at the 5-position (5, 6, 12) or by the application of alternative nitrogenous bases (18). Based on these results, CN-SAH (19) was identified as a potent and selective inhibitor of DOT1L activity where the polar 5-nitrile group was shown by crystallography to bind in the hydrophobic pocket of DOT1L. In addition, we show that a polar nitrile group can be used as a non-traditional replacement for heavy halogen atoms. Copyright © 2016 Elsevier Ltd. All rights reserved.

Alteration in non-classicality of light on passing through a linear polarization beam splitter

Science.gov (United States)

Shukla, Namrata; Prakash, Ranjana

2016-06-01

We observe the polarization squeezing in the mixture of a two mode squeezed vacuum and a simple coherent light through a linear polarization beam splitter. Squeezed vacuum not being squeezed in polarization, generates polarization squeezed light when superposed with coherent light. All the three Stokes parameters of the light produced on the output port of polarization beam splitter are found to be squeezed and squeezing factor also depends upon the parameters of coherent light.

Interplay between Coulomb-focusing and non-dipole effects in strong-field ionization with elliptical polarization

Science.gov (United States)

Daněk, J.; Klaiber, M.; Hatsagortsyan, K. Z.; Keitel, C. H.; Willenberg, B.; Maurer, J.; Mayer, B. W.; Phillips, C. R.; Gallmann, L.; Keller, U.

2018-06-01

We study strong-field ionization and rescattering beyond the long-wavelength limit of the dipole approximation with elliptically polarized mid-IR laser pulses. Full three-dimensional photoelectron momentum distributions (PMDs) measured with velocity map imaging and tomographic reconstruction revealed an unexpected sharp ridge structure in the polarization plane (2018 Phys. Rev. A 97 013404). This thin line-shaped ridge structure for low-energy photoelectrons is correlated with the ellipticity-dependent asymmetry of the PMD along the beam propagation direction. The peak of the projection of the PMD onto the beam propagation axis is shifted from negative to positive values when the sharp ridge fades away with increasing ellipticity. With classical trajectory Monte Carlo simulations and analytical analysis, we study the underlying physics of this feature. The underlying physics is based on the interplay between the lateral drift of the ionized electron, the laser magnetic field induced drift in the laser propagation direction, and Coulomb focusing. To apply our observations to emerging techniques relying on strong-field ionization processes, including time-resolved holography and molecular imaging, we present a detailed classical trajectory-based analysis of our observations. The analysis leads to the explanation of the fine structure of the ridge and its non-dipole behavior upon rescattering while introducing restrictions on the ellipticity. These restrictions as well as the ionization and recollision phases provide additional observables to gain information on the timing of the ionization and recollision process and non-dipole properties of the ionization process.

Excitonic recombination dynamics in non-polar GaN/AlGaN quantum wells

Science.gov (United States)

Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B.; Zhang, F.; Okur, S.; Monavarian, M.; Izyumskaya, N.; Avrutin, V.; Özgür, Ü.; Morkoç, H.; Leach, J. H.

2014-02-01

The optical properties of GaN/Al0.15Ga0.85N multiple quantum wells are examined in 8 K-300 K temperature range. Both polarized CW and time resolved temperature-dependent photoluminescence experiment are performed so that we can deduce the relative contributions of the non-radiative and radiative recombination processes. From the calculation of the proportion of the excitonic population having wave vector in the light cone, we can deduce the variation of the radiative decay time with temperature. We find part of the excitonic population to be localized in concert with the report of Corfdir et al. (Jpn. J. Appl. Phys., Part 2 52, 08JC01 (2013)) in case of a-plane quantum wells.

Behavioral and electroencephalographic evaluation of the anticonvulsive activity of Moringa oleifera leaf non-polar extracts and one metabolite in PTZ-induced seizures.

Science.gov (United States)

González-Trujano, María Eva; Martínez-González, Claudia Lizbeth; Flores-Carrillo, Maricela; Luna-Nophal, Sara Ibeth; Contreras-Murillo, Gerardo; Magdaleno-Madrigal, Víctor Manuel

2018-01-15

Moringa oleifera Lamarck is a species that has long been used in high demand in folk medicine, including for the treatment of epilepsy. Nevertheless, scientific studies demonstrating its anticonvulsant properties and the nature of the bioactive constituents are lacking. The aim of this study was to evaluate the anticonvulsant activities of the Moringa oleifera leaves in non-polar vs. polar extracts using behavioral and electroencephalographic (EEG) analyses in rodents. First, PTZ (80 mg/kg, i.p.)-induced tonic-clonic seizures were assayed via a dose-response (100, 200 and 300 mg/kg, i.p.) evaluation in mice. Then, a dosage of the extracts (100 or 300 mg/kg) and one metabolite (30 mg/kg, i.p.) was selected to evaluate its effect on PTZ (35 mg/kg, i.p.)-induced EEG paroxystic activities in rats compared to the effects of ethosuximide (reference anticonvulsant drug, 100 mg/kg, i.p.). Latent onset of the first paroxystic spike, first seizure and frequency as well as seizure severity, were determined using Racine's scale. Moringa oleifera ethanol and hexane extracts produced a delay in the seizure latency in mice and rats; this effect was improved in the presence of the hexane extract containing the active metabolite hexadecanoic acid. The anticonvulsant effects were corroborated in the spectral analysis by the potency of the EEG due to a reduction in the spike frequency and amplitude, as well as in the duration and severity of the seizures. The effects of the hexane extract resembled those observed in the reference antiepileptic drug ethosuximide. Moringa oleifera leaves possess anticonvulsant activities due to the complementary of the non-polar and polar constituents. However, the non-polar constituents appear to exert an important influence via the partial participation of fatty acids, providing evidence of the effects of this plant in epilepsy therapy. Copyright © 2017. Published by Elsevier GmbH.

Nanospikes functionalization as a universal strategy to disperse hydrophilic particles in non-polar media

Science.gov (United States)

Hang, Tian; Chen, Hui-Jiuan; Wang, Ji; Lin, Di-an; Wu, Jiangming; Liu, Di; Cao, Yuhong; Yang, Chengduan; Liu, Chenglin; Xiao, Shuai; Gu, Meilin; Pan, Shuolin; Wu, Mei X.; Xie, Xi

2018-05-01

Dispersion of hydrophilic particles in non-polar media has many important applications yet remains difficult. Surfactant or amphiphilic functionalization was conventionally applied to disperse particles but is highly dependent on the particle/solvent system and may induce unfavorable effects and impact particle hydrophilic nature. Recently 2 μm size polystyrene microbeads coated with ZnO nanospikes have been reported to display anomalous dispersity in phobic media without using surfactant or amphiphilic functionalization. However, due to the lack of understanding whether this phenomenon was applicable to a wider range of conditions, little application has been derived from it. Here the anomalous dispersity phenomenons of hydrophilic microparticles covered with nanospikes were systematically assessed at various conditions including different particle sizes, material compositions, particle morphologies, solvent hydrophobicities, and surface polar groups. Microparticles were functionalized with nanospikes through hydrothermal route, followed by dispersity test in hydrophobic media. The results suggest nanospikes consistently prevent particle aggregation in various particle or solvent conditions, indicating the universal applicability of the anomalous dispersion phenomenons. This work provides insight on the anomalous dispersity of hydrophilic particles in various systems and offers potential application to use this method for surfactant-free dispersions.

Local nondestructive data reading in three-dimensional memory systems based on the optical Kerr effect

International Nuclear Information System (INIS)

Zheltikov, Aleksei M; Koroteev, Nikolai I; Naumov, A N; Fedotov, Andrei B; Magnitskiy, Sergey A; Sidorov-Biryukov, D A

1998-01-01

An investigation was made of the characteristics of the optical Kerr effect in a spiropyran solution. It was found that this effect makes it possible to distinguish the coloured and uncoloured forms of spiropyran and that it represents a promising method for nondestructive data reading in three-dimensional optical memory systems based on photochromic materials. (letters to the editor)

Novel nuclear magnetic resonance techniques for studying biological molecules

International Nuclear Information System (INIS)

Laws, David D.

2000-01-01

Over the fifty-five year history of Nuclear Magnetic Resonance (NMR), considerable progress has been made in the development of techniques for studying the structure, function, and dynamics of biological molecules. The majority of this research has involved the development of multi-dimensional NMR experiments for studying molecules in solution, although in recent years a number of groups have begun to explore NMR methods for studying biological systems in the solid-state. Despite this new effort, a need still exists for the development of techniques that improve sensitivity, maximize information, and take advantage of all the NMR interactions available in biological molecules. In this dissertation, a variety of novel NMR techniques for studying biomolecules are discussed. A method for determining backbone (φ/ψ) dihedral angles by comparing experimentally determined 13 C a , chemical-shift anisotropies with theoretical calculations is presented, along with a brief description of the theory behind chemical-shift computation in proteins and peptides. The utility of the Spin-Polarization Induced Nuclear Overhauser Effect (SPINOE) to selectively enhance NMR signals in solution is examined in a variety of systems, as are methods for extracting structural information from cross-relaxation rates that can be measured in SPINOE experiments. Techniques for the production of supercritical and liquid laser-polarized xenon are discussed, as well as the prospects for using optically pumped xenon as a polarizing solvent. In addition, a detailed study of the structure of PrP 89-143 is presented. PrP 89-143 is a 54 residue fragment of the prion proteins which, upon mutation and aggregation, can induce prion diseases in transgenic mice. Whereas the structure of the wild-type PrP 89-143 is a generally unstructured mixture of α-helical and β-sheet conformers in the solid state, the aggregates formed from the PrP 89-143 mutants appear to be mostly β-sheet.

Coherent Control of Ground State NaK Molecules

Science.gov (United States)

Yan, Zoe; Park, Jee Woo; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin

2016-05-01

Ultracold dipolar molecules exhibit anisotropic, tunable, long-range interactions, making them attractive for the study of novel states of matter and quantum information processing. We demonstrate the creation and control of 23 Na40 K molecules in their rovibronic and hyperfine ground state. By applying microwaves, we drive coherent Rabi oscillations of spin-polarized molecules between the rotational ground state (J=0) and J=1. The control afforded by microwave manipulation allows us to pursue engineered dipolar interactions via microwave dressing. By driving a two-photon transition, we are also able to observe Ramsey fringes between different J=0 hyperfine states, with coherence times as long as 0.5s. The realization of long coherence times between different molecular states is crucial for applications in quantum information processing. NSF, AFOSR- MURI, Alfred P. Sloan Foundation, DARPA-OLE

Single NdPc2 molecules on surfaces. Adsorption, interaction, and molecular magnetism

International Nuclear Information System (INIS)

Fahrendorf, Sarah

2013-01-01

They have huge potential for application in molecular-spin-transistors, molecular-spinvalves, and molecular quantum computing. SMMs are characterized by high spin ground states with zero-field splitting leading to high relaxation barriers and long relaxation times. A relevant class of molecules are the lanthanide double-decker phthalocyanines (LaPc 2 ) with only one metal atom sandwiched between two organic phthalocyanine (Pc) ligands. For envisaged spintronic applications it is important to understand the interaction between the molecules and the substrate and its influence on the electronic and magnetic properties. The subject of this thesis is the investigation of the adsorbed neodymium double-decker phthalocyanine (NdPc 2 ) by means of low temperature scanning tunneling microscopy and spectroscopy (STM and STS). The molecules are deposited by sublimation onto different substrates. It is observed that a large fraction of the double-decker molecules decomposes during deposition. The decomposition probability strongly depends on the chosen substrate. Therefore it is concluded that the substrate modifies the electronic structure of the molecule leading to a stabilization or destabilization of the molecular entity. Charge transfer from the surface to the molecule is identified as a potential stabilizing mechanism. The electronic and magnetic properties are investigated in detail for adsorbed NdPc 2 molecules on Cu(100). The results of the experimental study are compared to state-of-the-art density functional theory calculations performed by our colleagues from the Peter Gruenberg Institute (PGI-1) at the Forschungszentrum Juelich. Interestingly, the lower Pc ring of the molecule hybridizes intensely with the substrate leading to strong chemisorption of the molecule, while the upper Pc ring keeps its molecular type electronic states, which can be energetically shifted by an external electric field. Importantly, it is possible to get direct access to the spin-polarized

Polarized neutron inelastic scattering experiments on spin dynamics

International Nuclear Information System (INIS)

Kakurai, Kazuhisa

2016-01-01

The principles of polarized neutron scattering are introduced and examples of polarized neutron inelastic scattering experiments on spin dynamics investigation are presented. These examples should demonstrate the importance of the polarized neutron utilization for the investigation of non-trivial magnetic ground and excited states in frustrated and low dimensional quantum spin systems. (author)

Positron scattering by molecules: implementation of the C-tilde-functional

International Nuclear Information System (INIS)

Silva Lino, Jorge Luiz da

1995-01-01

In this work, we present a formulation called the C-Functional to study collisions of low-energy positron by molecules. This formalism is based on the Schwinger Multichannel Method for positrons which although being a quite general method (it is applicable to polyatomic molecules and include polarization and multichannel coupling) is limited to the use of trial wavefunctions consisting only of square integrable basis functions (Gaussian Cartesian Function). In principle this is not a problem, considering that the Schwinger type of methods require a good description of the scattering wavefunction only in the region where the potential is non-zero. However, there exist some situations (long range potentials) where the SMC has consequences. The C-functional (CF) consists in writing the wavefunctions as a sum of a plane-wave plus a combination of trial functions (where the combination is variationally determined). The basic difference between the 2 cases (SMC and CF) is the presence in the CF amplitude of the First (FBA) and Second Born terms. Aiming the preservation of important features of the SMG, we have developed general codes (applicable to polyatomic targets) to evaluate these terms. To illustrate the CF method we show elastic cross sections ti He and H 2 . (author)

Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations.

Science.gov (United States)

Timko, Jeff; Kuyucak, Serdar

2012-11-28

Polarization is an important component of molecular interactions and is expected to play a particularly significant role in inhomogeneous environments such as pores and interfaces. Here we investigate the effects of polarization in the gramicidin A ion channel by performing quantum mechanics/molecular mechanics molecular dynamics (MD) simulations and comparing the results with those obtained from classical MD simulations with non-polarizable force fields. We consider the dipole moments of backbone carbonyl groups and channel water molecules as well as a number of structural quantities of interest. The ab initio results show that the dipole moments of the carbonyl groups and water molecules are highly sensitive to the hydrogen bonds (H-bonds) they participate in. In the absence of a K(+) ion, water molecules in the channel are quite mobile, making the H-bond network highly dynamic. A central K(+) ion acts as an anchor for the channel waters, stabilizing the H-bond network and thereby increasing their average dipole moments. In contrast, the K(+) ion has little effect on the dipole moments of the neighboring carbonyl groups. The weakness of the ion-peptide interactions helps to explain the near diffusion-rate conductance of K(+) ions through the channel. We also address the sampling issue in relatively short ab initio MD simulations. Results obtained from a continuous 20 ps ab initio MD simulation are compared with those generated by sampling ten windows from a much longer classical MD simulation and running each window for 2 ps with ab initio MD. Both methods yield similar results for a number of quantities of interest, indicating that fluctuations are fast enough to justify the short ab initio MD simulations.

Entangled photons from single atoms and molecules

Science.gov (United States)

Nordén, Bengt

2018-05-01

The first two-photon entanglement experiment performed 50 years ago by Kocher and Commins (KC) provided isolated pairs of entangled photons from an atomic three-state fluorescence cascade. In view of questioning of Bell's theorem, data from these experiments are re-analyzed and shown sufficiently precise to confirm quantum mechanical and dismiss semi-classical theory without need for Bell's inequalities. Polarization photon correlation anisotropy (A) is useful: A is near unity as predicted quantum mechanically and well above the semi-classic range, 0 ⩽ A ⩽ 1 / 2 . Although yet to be found, one may envisage a three-state molecule emitting entangled photon pairs, in analogy with the KC atomic system. Antibunching in fluorescence from single molecules in matrix and entangled photons from quantum dots promise it be possible. Molecules can have advantages to parametric down-conversion as the latter photon distribution is Poissonian and unsuitable for producing isolated pairs of entangled photons. Analytical molecular applications of entangled light are also envisaged.

Infrared and Raman study of the fast internal motions of non-rigid molecules in condensed state: method of selective deuteration

International Nuclear Information System (INIS)

Lascombe, J.; Cavagnat, D.; Lassegues, J.C.; Rafilipomanana, C.

1983-01-01

The dynamical behaviour of non-rigid molecules in the gas state is now well known but very little information is available on these molecules in condensed state. The authors present a method of study based on the analysis of the infrared and Raman spectra of selectively deuterated molecules. It is applied to the nitromethane and cyclopentene molecules which provide respectively characteristic examples of methyl internal rotation and ring-puckering motion. In each case, an isolated -C0 or -CD oscillator is modulated by the internal motion and several γ(CH) or γ(CD) bands are observed as a result of the dependence of the vibrational frequency of the oscillator on its conformational situation. Moreover, in the case of crystalline nitromethane a detailed study of the temperature dependence of the band profiles allows the main mechanism of relaxation of the -CH oscillator to be deduced. (orig.)

Linearly Polarized IR Spectroscopy Theory and Applications for Structural Analysis

CERN Document Server

Kolev, Tsonko

2011-01-01

A technique that is useful in the study of pharmaceutical products and biological molecules, polarization IR spectroscopy has undergone continuous development since it first emerged almost 100 years ago. Capturing the state of the science as it exists today, "Linearly Polarized IR Spectroscopy: Theory and Applications for Structural Analysis" demonstrates how the technique can be properly utilized to obtain important information about the structure and spectral properties of oriented compounds. The book starts with the theoretical basis of linear-dichroic infrared (IR-LD) spectroscop

Stokes-attenuated tunneling ionization of molecules

Science.gov (United States)

Kornev, Aleksei S.; Zon, Boris A.

2018-03-01

We set forth the quantum theory of ionic vibrational-level population by means of tunneling ionization of a molecule. Specific calculations are carried out for the H2 molecule. The results are in qualitative agreement with the experimental data [X. Urbain et al., Phys. Rev. Lett. 92, 163004 (2004), 10.1103/PhysRevLett.92.163004]. Our account for the excited vibrational levels reveals an interplay of two tendencies which contribute to the ionization rate: (i) It decreases due to additional energy absorption needed to populate these states and (ii) it increases together with the Franck-Condon factors which are large for these states. We show that these two tendencies practically compensate each other. The average quantitative disagreement between the theory and experiment amounts to ˜30 %. The same disagreement takes place when using the frozen approximation for the description of the nuclei motion. We demonstrated that the light-dressing effect for H2 leads to the dependence of the ionization rate on the angle between the molecule axis and the polarization vector of the radiation.

Theory of tunneling ionization of molecules: Weak-field asymptotics including dipole effects

DEFF Research Database (Denmark)

Tolstikhin, Oleg I.; Morishita, Toru; Madsen, Lars Bojer

2011-01-01

The formulation of the parabolic adiabatic expansion approach to the problem of ionization of atomic systems in a static electric field, originally developed for the axially symmetric case [ Phys. Rev. A 82 023416 (2010)], is generalized to arbitrary potentials. This approach is used to rederive...... the asymptotic theory of tunneling ionization in the weak-field limit. In the atomic case, the resulting formulas for the ionization rate coincide with previously known results. In addition, the present theory accounts for the possible existence of a permanent dipole moment of the unperturbed system and, hence......, applies to polar molecules. Accounting for dipole effects constitutes an important difference of the present theory from the so-called molecular Ammosov-Delone-Krainov theory. The theory is illustrated by comparing exact and asymptotic results for a set of model polar molecules and a realistic molecular...

Impact of molecular packing on electronic polarization in organic crystals: the case of pentacene vs TIPS-pentacene.

Science.gov (United States)

Ryno, Sean M; Risko, Chad; Brédas, Jean-Luc

2014-04-30

Polarization energy corresponds to the stabilization of the cation or anion state of an atom or molecule when going from the gas phase to the solid state. The decrease in ionization energy and increase in electron affinity in the solid state are related to the (electronic and nuclear) polarization of the surrounding atoms and molecules in the presence of a charged entity. Here, through a combination of molecular mechanics and quantum mechanics calculations, we evaluate the polarization energies in two prototypical organic semiconductors, pentacene and 6,13-bis(2-(tri-isopropylsilyl)ethynyl)pentacene (TIPS-pentacene). Comparison of the results for the two systems reveals the critical role played by the molecular packing configurations in the determination of the polarization energies and provides physical insight into the experimental data reported by Lichtenberger and co-workers (J. Amer. Chem. Soc. 2010, 132, 580; J. Phys. Chem. C 2010, 114, 13838). Our results underline that the impact of packing configurations, well established in the case of the charge-transport properties, also extends to the polarization properties of π-conjugated materials.

Polarized 3He Gas Circulating Technologies for Neutron Analyzers

Energy Technology Data Exchange (ETDEWEB)

Watt, David [Xemed LLC, Durham, NH (United States); Hersman, Bill [Xemed LLC, Durham, NH (United States)

2014-12-10

We describe the development of an integrated system for quasi-continuous operation of a large volume neutron analyzer. The system consists of a non-magnetic diaphragm compressor, a prototype large volume helium polarizer, a surrogate neutron analyzer, a non-depolarizing gas storage reservoir, a non-ferrous valve manifold for handling gas distribution, a custom rubidium-vapor gas return purifier, and wire-wound transfer lines, all of which are immersed in a two-meter external magnetic field. Over the Phase II period we focused on three major tasks required for the successful deployment of these types of systems: 1) design and implementation of gas handling hardware, 2) automation for long-term operation, and 3) improvements in polarizer performance, specifically fabrication of aluminosilicate optical pumping cells. In this report we describe the design, implementation, and testing of the gas handling hardware. We describe improved polarizer performance resulting from improved cell materials and fabrication methods. These improvements yielded valved 8.5 liter cells with relaxation times greater than 12 hours. Pumping this cell with 1500W laser power with 1.25nm linewidth yielded peak polarizations of 60%, measured both inside and outside the polarizer. Fully narrowing this laser to 0.25nm, demonstrated separately on one stack of the four, would have allowed 70% polarization with this cell. We demonstrated the removal of 5 liters of polarized helium from the polarizer with no measured loss of polarization. We circulated the gas through a titanium-clad compressor with polarization loss below 3% per pass. We also prepared for the next phase of development by refining the design of the polarizer so that it can be engineer-certified for pressurized operation. The performance of our system far exceeds comparable efforts elsewhere.

Magnetic field manipulation of spin current in a single-molecule magnet tunnel junction with two-electron Coulomb interaction

Science.gov (United States)

Zhang, Chao; Yao, Hui; Nie, Yi-Hang; Liang, Jiu-Qing; Niu, Peng-Bin

2018-04-01

In this work, we study the generation of spin-current in a single-molecule magnet (SMM) tunnel junction with Coulomb interaction of transport electrons and external magnetic field. In the absence of field the spin-up and -down currents are symmetric with respect to the initial polarizations of molecule. The existence of magnetic field breaks the time-reversal symmetry, which leads to unsymmetrical spin currents of parallel and antiparallel polarizations. Both the amplitude and polarization direction of spin current can be controlled by the applied magnetic field. Particularly when the magnetic field increases to a certain value the spin-current with antiparallel polarization is reversed along with the magnetization reversal of the SMM. The two-electron occupation indeed enhances the transport current compared with the single-electron process. However the increase of Coulomb interaction results in the suppression of spin-current amplitude at the electron-hole symmetry point. We propose a scheme to compensate the suppression with the magnetic field.

Polarization Curve of a Non-Uniformly Aged PEM Fuel Cell

Directory of Open Access Journals (Sweden)

Andrei Kulikovsky

2014-01-01

Full Text Available We develop a semi-analytical model for polarization curve of a polymer electrolyte membrane (PEM fuel cell with distributed (aged along the oxygen channel MEA transport and kinetic parameters of the membrane–electrode assembly (MEA. We show that the curve corresponding to varying along the channel parameter, in general, does not reduce to the curve for a certain constant value of this parameter. A possibility to determine the shape of the deteriorated MEA parameter along the oxygen channel by fitting the model equation to the cell polarization data is demonstrated.

Polarization study of non-resonant X-ray magnetic scattering from spin-density-wave modulation in chromium

International Nuclear Information System (INIS)

Ohsumi, Hiroyuki; Takata, Masaki

2007-01-01

We present a polarization study of non-resonant X-ray magnetic scattering in pure chromium. Satellite reflections are observed at +/-Q and +/-2Q, where Q is the modulation wave vector of an itinerant spin-density-wave. The first and second harmonics are confirmed to have magnetic and charge origin, respectively, by means of polarimetry without using an analyzer crystal. This alternative technique eliminates intolerable intensity loss at an analyzer by utilizing the sample crystal also as an analyzer crystal

Evidence for non-radial fields in the Sun's photosphere and a possible explanation of the polar magnetic signal

International Nuclear Information System (INIS)

Pope, T.

1975-01-01

The appearance of the Hα fibrils suggests the presence of magnetic fields inclined at noticeably non-radial angles in the Sun's chromosphere. Evidence is presented to suggest that these angles continue into the photosphere. The presence even of small non-radial inclinations can significantly affect the appearance of regions observed by a longitudinal mangetograph. In particular, a simple bipolar loop can appear unbalanced when viewed near the limb. It is suggested that the observed polar signal may be nothing more than a geometric effect arising when a balanced but systematically aligned array of bipolar pairs is viewed at an angle. (Auth.)

AKTIVITAS ANTIOKSIDAN DAN ANTIBAKTERI EKSTRAK POLAR DAN NON POLAR BIJI SELASIH (Ocimum sanctum Linn [Antioxidant and Antibacterial Activities from Polar and Non Polar Basil (Ocimum sanctum Linn Seed Extracts

Directory of Open Access Journals (Sweden)

Agustina D. R. Nurcahyanti1*

2011-06-01

Full Text Available The aims of this study were to determine total phenolic content, antioxidant activity and antibacterial activity of polar and nonpolar extracts of basil (O. sanctum L. seed. Seeds of basil (O. sanctum L. were extracted using a soxhlet extractor using four types organic solvent, i.e. chloroform, ethyl acetate, acetone, and methanol for eight hours each. The total phenolic content was determined using Folin Ciocalteu method, antioxidant activity was determined using reducing power and DPPH (1,1-diphenyl,2-picrylhydrazyl scavenging activity methods, while antibacterial activity was tested using agar diffusion method. The result showed that the highest total phenolic content and antioxidant activity was obtained in methanol extract with 3.63 ± 0.21 mgGAE/g phenolic total, 58.39 ± 3.81 ek/g using reducing power method and 85.73 ± 0.86% free radical scavenging activity. Furthermore the result of antibacterial activity testing showed that the highest diameter of inhibition zone was observed in ethyl acetate extract inhibition on E.coli, P.aeruginosa, B.subtilis, and S.aureus where its inhibition zone were 13.53 ± 0.63; 10.67 ± 1.05; 14.93 ± 0.80, and 13.46 ± 0.79 mm, respectively. This result suggests that both polar and nonpolar basil seed extracts possess specific biological activity. This data provide valuable and strong database for exploration of natural antibacterial agents and antioxidant for food and health industry application.

Non-self-conjugate mesons in a potential model with vacuum-polarization corrections

International Nuclear Information System (INIS)

Barik, N.; Jena, S.N.

1980-01-01

We present a unified approach to the study of non-self-conjugate mesons including both light and heavy mesons in the framework of the vacuum-polarization-corrected flavor-independent potential. We have found that the quark-confining potential in the form of an almost equal admixture of vector and scalar parts successfully explains the S-wave hyperfine levels of the observed light and heavy mesons. Finally we calculate the electromagnetic mass differences of the heavy-quark mesons and obtain (K-bar* 0 -K* - )=3.79 MeV, (K-bar 0 -K - )=6 MeV, (D* + /sub c/-D* 0 /sub c/)=2.4 MeV, (D + /sub c/-D 0 /sub c/)=5.8 MeV, (D* 0 /sub b/-D* - /sub b/)=3.547 MeV, and (D 0 /sub b/-D - /sub b/)=3.558 MeV

Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices.

Science.gov (United States)

Aragonès, Albert C; Aravena, Daniel; Valverde-Muñoz, Francisco J; Real, José Antonio; Sanz, Fausto; Díez-Pérez, Ismael; Ruiz, Eliseo

2017-04-26

The appropriate choice of the transition metal complex and metal surface electronic structure opens the possibility to control the spin of the charge carriers through the resulting hybrid molecule/metal spinterface in a single-molecule electrical contact at room temperature. The single-molecule conductance of a Au/molecule/Ni junction can be switched by flipping the magnetization direction of the ferromagnetic electrode. The requirements of the molecule include not just the presence of unpaired electrons: the electronic configuration of the metal center has to provide occupied or empty orbitals that strongly interact with the junction metal electrodes and that are close in energy to their Fermi levels for one of the electronic spins only. The key ingredient for the metal surface is to provide an efficient spin texture induced by the spin-orbit coupling in the topological surface states that results in an efficient spin-dependent interaction with the orbitals of the molecule. The strong magnetoresistance effect found in this kind of single-molecule wire opens a new approach for the design of room-temperature nanoscale devices based on spin-polarized currents controlled at molecular level.

Polarization Of Light In The Natural Environment

Science.gov (United States)

Coulson, Kinsell L.

1990-01-01

This paper provides a characterization of the fields of light polarization with which the optical designer or user of optical devices in the natural environment must be concerned. After a brief historical outline of the principal developments in polarization theory and observations during the last two centuries, the main emphasis is on the two primary processes responsible for the polarization of light in nature--scattering of light by particles of the atmosphere and reflection from soils, vegetation, snow, and water at the earth's surface. Finally, a seven minute film on polarization effects which can be seen in everyday surroundings will be shown. Scattering by atmospheric particles is responsible for high values of polarization in various atmospheric conditions and at certain scattering geometries. Such scattering particles include molecules of the atmospheric gases, aerosols of dust, haze, and air pollution, water droplets of fog and clouds, and the ice crystals of cirrus. It is seen that development of the theory of scattering by such particles has outstripped the measurements necessary for validation of the theory, a fact which points up the importance of symposia such as the present one. The reverse is true, however, for the polarizing properties of natural surfaces. Only in the case of still water is the theory of reflection adequate to characterize in a quantitative fashion the polarizing effects produced by the reflection of light from such natural surfaces. Polarization of light by reflection from vegetation is of prime importance in a remote sensing context, but much further work is needed to characterize vegetative reflectance for the purpose. The short film on polarization effects provides a good visualization technique and training aid for students interested in the field.

Excitonic recombination dynamics in non-polar GaN/AlGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B. [CNRS, Laboratoire Charles Coulomb, UMR 5221, F-34095 Montpellier (France); Université Montpellier 2, Laboratoire Charles Coulomb, UMR 5221, F-34095 Montpellier (France); Zhang, F.; Okur, S.; Monavarian, M.; Izyumskaya, N.; Avrutin, V.; Özgür, Ü.; Morkoç, H. [Department of Electrical and Computer Engineering, Virginia Commonwealth University, Richmond, Virginia 23238 (United States); Leach, J. H. [Kyma Technologies, Raleigh, North Carolina 27617 (United States)

2014-02-21

The optical properties of GaN/Al{sub 0.15}Ga{sub 0.85}N multiple quantum wells are examined in 8 K–300 K temperature range. Both polarized CW and time resolved temperature-dependent photoluminescence experiment are performed so that we can deduce the relative contributions of the non-radiative and radiative recombination processes. From the calculation of the proportion of the excitonic population having wave vector in the light cone, we can deduce the variation of the radiative decay time with temperature. We find part of the excitonic population to be localized in concert with the report of Corfdir et al. (Jpn. J. Appl. Phys., Part 2 52, 08JC01 (2013)) in case of a-plane quantum wells.

Excitonic recombination dynamics in non-polar GaN/AlGaN quantum wells

International Nuclear Information System (INIS)

Rosales, D.; Gil, B.; Bretagnon, T.; Guizal, B.; Zhang, F.; Okur, S.; Monavarian, M.; Izyumskaya, N.; Avrutin, V.; Özgür, Ü.; Morkoç, H.; Leach, J. H.

2014-01-01

The optical properties of GaN/Al 0.15 Ga 0.85 N multiple quantum wells are examined in 8 K–300 K temperature range. Both polarized CW and time resolved temperature-dependent photoluminescence experiment are performed so that we can deduce the relative contributions of the non-radiative and radiative recombination processes. From the calculation of the proportion of the excitonic population having wave vector in the light cone, we can deduce the variation of the radiative decay time with temperature. We find part of the excitonic population to be localized in concert with the report of Corfdir et al. (Jpn. J. Appl. Phys., Part 2 52, 08JC01 (2013)) in case of a-plane quantum wells

Long non-coding RNA cox-2 prevents immune evasion and metastasis of hepatocellular carcinoma by altering M1/M2 macrophage polarization.

Science.gov (United States)

Ye, Yibiao; Xu, Yunxiuxiu; Lai, Yu; He, Wenguang; Li, Yanshan; Wang, Ruomei; Luo, Xinxi; Chen, Rufu; Chen, Tao

2018-03-01

Macrophages have been shown to demonstrate a high level of plasticity, with the ability to undergo dynamic transition between M1 and M2 polarized phenotypes. We investigate long non-coding RNA (lncRNA) cox-2 in macrophage polarization and the regulatory mechanism functions in hepatocellular carcinoma (HCC). Lipopolysaccharide (LPS) was used to induce RAW264.7 macrophages into M1 type, and IL-4 was to induce RAW264.7 macrophages into M2 type. We selected mouse hepatic cell line Hepal-6 and hepatoma cell line HepG2 for co-incubation with M1 or M2 macrophages. Quantitative real-time PCR was used to detect the expressions of lncRNA cox-2 and mRNAs. ELISA was conducted for testing IL-12 and IL-10 expressions; Western blotting for epithelial mesenchymal transition related factors (E-cadherin and Vimentin). An MTT, colony formation assay, flow cytometry, transwell assay, and stretch test were conducted to test cell abilities. The M1 macrophages had higher lncRNA cox-2 expression than that in the non-polarized macrophages and M2 macrophages. The lncRNA cox-2 siRNA decreased the expression levels of IL-12, iNOS, and TNF-α in M1 macrophages, increased the expression levels of IL-10, Arg-1, and Fizz-1 in M2 macrophages (all P evasion and tumor growth by inhibiting the polarization of M2 macrophages. © 2017 Wiley Periodicals, Inc.

Glucansucrase Gtf180-ΔN of Lactobacillus reuteri 180 : enzyme and reaction engineering for improved glycosylation of non-carbohydrate molecules

NARCIS (Netherlands)

Devlamynck, Tim; Te Poele, Evelien M; Meng, Xiangfeng; van Leeuwen, Sander S; Dijkhuizen, Lubbert

2016-01-01

Glucansucrases have a broad acceptor substrate specificity and receive increased attention as biocatalysts for the glycosylation of small non-carbohydrate molecules using sucrose as donor substrate. However, the main glucansucrase-catalyzed reaction results in synthesis of α-glucan polysaccharides

Non-sticky translocation of bio-molecules through Tween 20-coated solid-state nanopores in a wide pH range

Science.gov (United States)

Li, Xiaoqing; Hu, Rui; Li, Ji; Tong, Xin; Diao, J. J.; Yu, Dapeng; Zhao, Qing

2016-10-01

Nanopore-based sensing technology is considered high-throughput and low-cost for single molecule detection, but solid-state nanopores have suffered from pore clogging issues. A simple Tween 20 coating method is applied to ensure long-term (several hours) non-sticky translocation of various types of bio-molecules through SiN nanopores in a wide pH range (4.0-13.0). We also emphasize the importance of choosing appropriate concentration of Tween 20 coating buffer for desired effect. By coating nanopores with a Tween 20 layer, we are able to differentiate between single-stranded DNA and double-stranded DNA, to identify drift-dominated domain for single-stranded DNA, to estimate BSA volume and to observe the shape of individual nucleosome translocation event without non-specific adsorption. The wide pH endurance from 4.0 to 13.0 and the broad types of detection analytes including nucleic acids, proteins, and biological complexes highlight the great application potential of Tween 20-coated solid-state nanopores.

Polar plot representation of time-resolved fluorescence.

Science.gov (United States)

Eichorst, John Paul; Wen Teng, Kai; Clegg, Robert M

2014-01-01

Measuring changes in a molecule's fluorescence emission is a common technique to study complex biological systems such as cells and tissues. Although the steady-state fluorescence intensity is frequently used, measuring the average amount of time that a molecule spends in the excited state (the fluorescence lifetime) reveals more detailed information about its local environment. The lifetime is measured in the time domain by detecting directly the decay of fluorescence following excitation by short pulse of light. The lifetime can also be measured in the frequency domain by recording the phase and amplitude of oscillation in the emitted fluorescence of the sample in response to repetitively modulated excitation light. In either the time or frequency domain, the analysis of data to extract lifetimes can be computationally intensive. For example, a variety of iterative fitting algorithms already exist to determine lifetimes from samples that contain multiple fluorescing species. However, recently a method of analysis referred to as the polar plot (or phasor plot) is a graphical tool that projects the time-dependent features of the sample's fluorescence in either the time or frequency domain into the Cartesian plane to characterize the sample's lifetime. The coordinate transformations of the polar plot require only the raw data, and hence, there are no uncertainties from extensive corrections or time-consuming fitting in this analysis. In this chapter, the history and mathematical background of the polar plot will be presented along with examples that highlight how it can be used in both cuvette-based and imaging applications.

Spin- and energy-dependent tunneling through a single molecule with intramolecular spatial resolution.

Science.gov (United States)

Brede, Jens; Atodiresei, Nicolae; Kuck, Stefan; Lazić, Predrag; Caciuc, Vasile; Morikawa, Yoshitada; Hoffmann, Germar; Blügel, Stefan; Wiesendanger, Roland

2010-07-23

We investigate the spin- and energy-dependent tunneling through a single organic molecule (CoPc) adsorbed on a ferromagnetic Fe thin film, spatially resolved by low-temperature spin-polarized scanning tunneling microscopy. Interestingly, the metal ion as well as the organic ligand show a significant spin dependence of tunneling current flow. State-of-the-art ab initio calculations including also van der Waals interactions reveal a strong hybridization of molecular orbitals and substrate 3d states. The molecule is anionic due to a transfer of one electron, resulting in a nonmagnetic (S=0) state. Nevertheless, tunneling through the molecule exhibits a pronounced spin dependence due to spin-split molecule-surface hybrid states.

Conversion from non-orthogonally to orthogonally polarized optical single-sideband modulation using optically injected semiconductor lasers.

Science.gov (United States)

Hung, Yu-Han; Tseng, Chin-Hao; Hwang, Sheng-Kwang

2018-06-01

This Letter investigates an optically injected semiconductor laser for conversion from non-orthogonally to orthogonally polarized optical single-sideband modulation. The underlying mechanism relies solely on nonlinear laser characteristics and, thus, only a typical semiconductor laser is required as the key conversion unit. This conversion can be achieved for a broadly tunable frequency range up to at least 65 GHz. After conversion, the microwave phase quality, including linewidth and phase noise, is mostly preserved, and simultaneous microwave amplification up to 23 dB is feasible.

Non-uniform 3He polarization formed by multiple collisions of a fast 3He+ ion with polarized Rb vapor in a strong magnetic field

International Nuclear Information System (INIS)

Arimoto, Y.; Yonehara, K.; Yamagata, T.; Tanaka, M.

2001-01-01

We investigated the spatial distribution of a polarization in 3 He beam expected from a novel polarized 3 He ion source based on electron pumping, i.e., multiple electron capture and stripping collisions of an incident fast 3 He + ion with a polarized Rb vapor in a strong axial magnetic field. For this purpose, a Monte Carlo simulation was carried out for 19 keV 3 He + ions with varying Rb vapor thickness, magnetic field, and beam emittance. The calculated results showed a distribution of the 3 He polarization that we call a 'polarization hole', which has a low polarization area around the beam axis. The parameters characterizing the polarization hole, i.e., the polarization and radius of the hole, were found to depend on the Rb vapor thickness, the magnetic field, the beam size, and the angular divergence of the initial beam. These parameters were successfully reproduced with analytical functions deduced from a probability density function prescription. This provides a powerful tool to treat complex phenomena of multiple collisions in strong magnetic fields without performing time-consuming Monte Carlo calculations

Single NdPc{sub 2} molecules on surfaces. Adsorption, interaction, and molecular magnetism

Energy Technology Data Exchange (ETDEWEB)

Fahrendorf, Sarah

2013-01-24

spin-polarized 4f-states of the central Nd ion by means of STM and STS. This important and unique characteristic absent for late lanthanide double-decker phthalocyanine molecules opens the door for direct reading and writing of the molecular spin-state by purely electrical means. In view of the intended investigations of the magnetic properties of the NdPc2 molecule coupled to ferromagnetic surfaces, spin-polarized STM investigations of the second atomic layer of Fe on W(110) are performed. Here, bulk Cr-tips are used, which were ex-situ electrochemically etched from a Cr rod. Further in-situ treatment is shown to have no essential influence on the magnetic properties of the tips. The reproducible and reliable preparation of the ferromagnetic substrate and the Cr-tips is the basis for further investigations of the NdPc{sub 2} molecule adsorbed on the second atomic layer of Fe on W(110). Preliminary STM and STS results give strong evidence, that the direct access to the spin-polarized 4f-states is also feasible after adsorption of the double-decker molecule on a ferromagnetic substrate.

Vector Monte Carlo simulations on atmospheric scattering of polarization qubits.

Science.gov (United States)

Li, Ming; Lu, Pengfei; Yu, Zhongyuan; Yan, Lei; Chen, Zhihui; Yang, Chuanghua; Luo, Xiao

2013-03-01

In this paper, a vector Monte Carlo (MC) method is proposed to study the influence of atmospheric scattering on polarization qubits for satellite-based quantum communication. The vector MC method utilizes a transmittance method to solve the photon free path for an inhomogeneous atmosphere and random number sampling to determine whether the type of scattering is aerosol scattering or molecule scattering. Simulations are performed for downlink and uplink. The degrees and the rotations of polarization are qualitatively and quantitatively obtained, which agree well with the measured results in the previous experiments. The results show that polarization qubits are well preserved in the downlink and uplink, while the number of received single photons is less than half of the total transmitted single photons for both links. Moreover, our vector MC method can be applied for the scattering of polarized light in other inhomogeneous random media.

Effect of electrostatic interaction on thermochemical behavior of 12-crown-4 ether in various polar solvents

International Nuclear Information System (INIS)