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Journal articles on the topic 'Mobility of molecules'

Author: Grafiati

Published: 10 December 2022

Last updated: 28 January 2023

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1

Russina, Margarita, Evout Kemner, and Ferenc Mezei. "Impact of the Confinement on the Intra-Cage Dynamics of Molecular Hydrogen in Clathrate Hydrates." Materials Science Forum 879 (November 2016): 1294–99. http://dx.doi.org/10.4028/www.scientific.net/msf.879.1294.

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We have studied the diffusive mobility of hydrogen molecules confined in different size cages in clathrate hydrates. In clathrate hydrate H2 molecules are effectively stored by confinement in two different size cages of the nanoporous host structure with accessible volumes of about 0.50 and 0.67 nm diameters, respectively. For the processes of sorption and desorption of the stored hydrogen the diffusive mobility of the molecules plays a fundamental role. In the present study we have focused on the dynamics of the H2 molecules inside the cages as one aspect of global guest molecule mobility across the crystalline host structure. We have found that for the two cage sizes different in diameter by only 34 % and in volume by about a factor of 2.4, the dimension can modify the diffusive mobility of confined hydrogen in both directions, i.e. reducing and surprisingly enhancing mobility compared to the bulk at the same temperature. In the smaller cages of clathrate hydrates hydrogen molecules are localized in the center of the cages even at temperatures >100 K. Confinement in the large cages leads to the onset already at T=10 K of jump diffusion between sorption sites separated from each other by about 2.9 Å at the 4 corners of a tetrahedron. At this temperature bulk hydrogen is frozen at ambient pressure and shows no molecular mobility on the same time scale. A particular feature of this diffusive mobility is the pronounced dynamic heterogeneity: only a temperature dependent fraction of the H2 molecules was found mobile on the time scale covered by the neutron spectrometer used. The differences in microscopic dynamics inside the cages of two different sizes can help to explain the differences in the parameters of macroscopic mobility: trapping of hydrogen molecules in smaller pores matching the molecule size can to play a role in the higher desorption temperature for the small cages.

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2

Almeida, A. M., M. M. D. Ramos, and H. G. Correia. "Change mobility in conjugated polymer molecules." Computational Materials Science 27, no. 1-2 (March 2003): 128–32. http://dx.doi.org/10.1016/s0927-0256(02)00436-6.

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3

Bhardwaj, Bishwajeet, Takeshi Sugiyama, Naoko Namba, Takayuki Umakoshi, Takafumi Uemura, Tsuyoshi Sekitani, and Prabhat Verma. "Raman Spectroscopic Studies of Dinaphthothienothiophene (DNTT)." Materials 12, no. 4 (February 18, 2019): 615. http://dx.doi.org/10.3390/ma12040615.

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The application of dinaphthothienothiophene (DNTT) molecules, a novel organic semiconductor material, has recently increased due to its high charge carrier mobility and thermal stability. Since the structural properties of DNTT molecules, such as the molecular density distribution and molecular orientations, significantly affect their charge carrier mobility in organic field-effect transistors devices, investigating these properties would be important. Here, we report Raman spectroscopic studies on DNTT in a transistor device, which was further analyzed by the density functional theory. We also show a perspective of this technique for orientation analysis of DNTT molecules within a transistor device.

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4

Crawford, Jeremie J., Frannie Itzkow, Joanna MacLean, and Douglas B. Craig. "Conformational change in individual enzyme molecules." Biochemistry and Cell Biology 93, no. 6 (December 2015): 611–18. http://dx.doi.org/10.1139/bcb-2015-0099.

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Single β-galactosidase molecule assays were performed using a capillary electrophoresis based protocol, employing post-column laser-induced fluorescence detection. In a first set of experiments, the distribution of single β-galactosidase molecule catalytic rates and electrophoretic mobilities were determined from lysates of Escherichia coli strains containing deletions for different heat shock proteins and grown under normal and heat shock conditions. There was no clear observed pattern of effect of heat shock protein expression on these distributions. In a second set of experiments, individual enzyme molecule catalytic rates were determined at 21 °C before and after 2 sequential brief periods of incubation at 50, 28, and 10 °C. The brief incubations at 50 °C caused a change in the enzyme molecules resulting in a different catalytic rate. Any given molecule was just as likely to show an increase in rate as a decrease, resulting in no significant difference in the average rate of the population. The average change in individual molecule rate was dependent upon the temperature of the brief incubation period, with a lesser average change occurring at 28 °C and negligible change at 10 °C. A third set of experiments was similar to that of the second with the exception that it was electrophoretic mobility that was considered. This provided a similar result. Incubation at higher temperature resulted in a change in electrophoretic mobility. The probability of an individual molecules switching to a higher mobility was approximately equal to that of switching to a lower mobility, resulting in no net average change in the population. The magnitude of the changes in electrophoretic mobilities suggest that the associated conformational changes are subtle.

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5

Mecheri, S., M. Edidin, G. Dannecker, R. S. Mittler, and M. K. Hoffmann. "Immunogenic Ia-binding peptides immobilize the Ia molecule and facilitate its aggregation on the B cell membrane. Control by the M1s-1 gene." Journal of Immunology 144, no. 4 (February 15, 1990): 1361–68. http://dx.doi.org/10.4049/jimmunol.144.4.1361.

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Abstract Aggregation (e.g., through cross-linkage) of cell surface molecules is in various biologic systems a necessary event in cellular activation. Examining the Ia molecule on B cells we found that aggregation is a function of the surface Ag mobility; the higher the fraction of immobile molecules on the plane of the membrane, the better Ia forms aggregates and patches. We identify two factors that control Ia mobility and aggregability. One factor is the M1s-1a gene product; the other factor is an Ia-reactive immunogenic peptide. Both factors increase Ia aggregability and reduce the MHC Ag mobility.

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6

Jäger, Alexander, Jette Schwarz, Yamuna Kunhi Mouvenchery, Gabriele E. Schaumann, and Marko Bertmer. "Physical long-term regeneration dynamics of soil organic matter as followed by 1H solid-state NMR methods." Environmental Chemistry 13, no. 1 (2016): 50. http://dx.doi.org/10.1071/en14216.

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Environmental context The mobility of soil organic matter and water molecules has a strong influence on the availability of fertilisers as well as on the fate of pollutants in soil. Magnetic resonance techniques identified two regimes of mobility change on the molecular level occurring on a timescale of 1 year after initially heating the sample. The results can help to understand the effect of soil type and water content for agricultural use and soil protection. Abstract 1H wide-line solid-state NMR methods have been applied to monitor long-term mobility changes in the supramolecular network of soil organic matter and water induced by short thermal treatment. NMR line widths are a direct measure of the mobility of water molecules and organic matter components. For the first time, we obtained an insight into the long-term physical mechanisms in terms of molecular mobility governing soil organic matter–water interactions. All time series reveal a systematic, attenuated proton demobilisation on time scales with a maximum of 1 year that depends on water content and type of soil. Results are discussed in the context of water molecule bridges and are compared with the results of structural transition temperatures obtained from differential scanning calorimetry measurements. The analysis is based on a porous system with random field characteristics. Two major features, a logarithmic time dependence in the first hours and a linear time dependence at longer times after the heating event, are observed in all investigated samples. In peat samples, a temporary increase of mobility was observed, the point in time depending on water content. The soil organic matter physicochemical matrix aging mechanism could also be relevant for the aging of organic chemicals in soil samples, suggesting a long-term reduction in molecular mobility.

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7

Lichtner, Frank. "Phloem mobility of crop protection products." Functional Plant Biology 27, no. 6 (2000): 609. http://dx.doi.org/10.1071/pp99185.

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Phloem mobility of a crop protectant is an attribute that contributes positively to its efficacy. Herbicides, insecticides and fungicides, generally organic molecules of small molecular weight, are applied foliarly and often must move to remote plant parts (such as meristems, emerging leaves, roots and fruits) via the phloem to achieve economically useful activity. In addition, insecticides must move within the phloem to be effective against piercing and sucking insects. Conversely, phloem mobility of crop protectants and their metabolites can also contribute to detectable residues in raw agricultural commodities. This is especially true of compounds that are biologically stable and applied during fruit development or seed set. Thus, the knowledge of phloem mobility allows an understanding of potential benefits (efficacy) and potential risks (dietary exposure) of a crop protection chemical. The customers for this knowledge range from the discovery chemist and biologist (who participate in the design of the chemical), through to the regulatory official (who grants permission to sell) and the farmer, the ultimate beneficiary of the technology. One can estimate or predict phloem mobility (based on physical/chemical properties and molecular structure) using a number of models, or measure it directly (in whole plants or explants) with a variety of techniques. In the future, crop protection and crop production technology will increasingly rely on effective transport of macro-molecules, such as protein toxins for insect control and mRNA for signal initiation and coordination of growth and development processes. Phloem mobility will be equally important for these macromolecules and for the small molecules that currently control pests and influence plant growth and development. Understanding the processes that control macromolecular transport in the phloem will lay the foundation for effective use of this technology in the decades to come.

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8

Jaqaman, Khuloud, James A. Galbraith, Michael W. Davidson, and Catherine G. Galbraith. "Changes in single-molecule integrin dynamics linked to local cellular behavior." Molecular Biology of the Cell 27, no. 10 (May 15, 2016): 1561–69. http://dx.doi.org/10.1091/mbc.e16-01-0018.

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Recent advances in light microscopy permit visualization of the behavior of individual molecules within dense macromolecular ensembles in live cells. It is now conceptually possible to relate the dynamic organization of molecular machinery to cellular function. However, inherent heterogeneities, as well as disparities between spatial and temporal scales, pose substantial challenges in deriving such a relationship. New approaches are required to link discrete single-molecule behavior with continuous cellular-level processes. Here we combined intercalated molecular and cellular imaging with a computational framework to detect reproducible transient changes in the behavior of individual molecules that are linked to cellular behaviors. Applying our approach to integrin transmembrane receptors revealed a spatial density gradient underlying characteristic molecular density increases and mobility decreases, indicating the subsequent onset of local protrusive activity. Integrin mutants further revealed that these density and mobility transients are separable and depend on different binding domains within the integrin cytoplasmic tail. Our approach provides a generalizable paradigm for dissecting dynamic spatiotemporal molecular behaviors linked to local cellular events.

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9

Zadrapa, Petr, Jiri Malac, and Petr Konecny. "Filler and mobility of rubber matrix molecules." Polymer Bulletin 67, no. 5 (June 9, 2011): 927–36. http://dx.doi.org/10.1007/s00289-011-0533-9.

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10

Girlich, D., and H. D. Lüdemann. "Molecular Mobility of Sucrose in Aqueous Solution Studied by 13C NMR Relaxation." Zeitschrift für Naturforschung C 48, no. 5-6 (June 1, 1993): 407–13. http://dx.doi.org/10.1515/znc-1993-5-601.

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Abstract From the temperature and concentration dependence of the 13C spin lattice relaxation times of the 12 carbon atoms of the sucrose molecule the rotational dynamics of the sugar molecules are determined. No indication for conformational mobility of the rings is found. The exocyclic hydroxymethyl groups possess extra mobility. The models used for the description are critically discussed. The temperature dependence of the rotational mobility is described by a VTF equation. The concentration dependence of the ideal glass transition temperature To for this mobility is derived.

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11

Zhu, Lei, Ying Wang, Wenguang Wang, Xianyao Wu, and Ti Wu. "Synthesis and research of a kind of perylene imide discoid molecule." Journal of Physics: Conference Series 2226, no. 1 (March 1, 2022): 012007. http://dx.doi.org/10.1088/1742-6596/2226/1/012007.

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Abstract Discotic liquid crystal molecules are excellent organic semiconductor materials due to their high carrier mobility. Dibenzocoronene derivatives obtained by nuclear expansion with perylene diimide as a matrix are one of the discotic molecules. The key factor for the application of this type of molecule is that it can form stable and long-range ordered organic nano-scale thin films. It can be used as an efficient carrier transport channel. This paper intends to use the “channel effect” to obtain the corresponding long-range orderly ideal film. The “channeling effect” referred to in this article is to bond functional discoid molecules on the substrate firstly, than generate the corresponding self-assembled monomolecular membranes (SAMs) to form an ordered channel on the surface which strongly induces and restricts the discoid molecules that arranged in parallel and orderly with each other along the “channels” created on the surface of the SAMs. Perylene diimide derivatives are a kind of good electron transport materials, which are characterized by high carrier mobility, low processing cost, and good thermal stability. However, it has the large rigid core and the melting point is relatively high. In this paper, a monobenzocoperylene diimide derivative is designed and synthesized, which will have a strong effect on the surface of the silicon substrate, and reduce the molecular melting point by reducing the size of the perylene imide discotic molecular core expansion.

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12

Derakhshan, Mahnaz, Hamid R. Ansarian, M. Mizanur Rahman, Toshihiko Sakurai, Makoto Takafuji, and Hirotaka Ihara. "A new method for evaluation of the mobility of silica-grafted alkyl chains by suspension-state 1H NMR." Canadian Journal of Chemistry 83, no. 10 (October 1, 2005): 1792–98. http://dx.doi.org/10.1139/v05-197.

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Although molecular mobility is usually probed by measurement of the T1 relaxation time, it is not the case for methylene groups of grafted acyl chains because each methylene group has a different mobility and hence, a different T1 relaxation time depending on the distance from the junction between organic molecule and nonorganic particle. Therefore, we devised a very simple method that can semiquantitatively determine the extent of mobility in the grafted acyl chains. Silica-supported poly(octadecylacrylate) (Sil-ODAn), polymeric octadecylsilyl silica (polymeric ODS), and monomeric octadecylsilyl silica (monomeric ODS) were studied by comparing the intensity of NMR peaks from grafted molecules with the same amount of nongrafted molecules. In the case of Sil-ODAn, with a gradual increase in temperature, the intensity of the proton signals (1H NMR) of the octadecyl moieties (mainly methylene groups) rose dramatically. This dramatic rise was at the same temperature as that of an endothermic peak detectable in its DSC thermogram, indicating a relatively complete solid to liquid phase transition. Sil-ODAn, as the stationary phase in RP-HPLC, showed analogous temperature dependencies of the separation factor between naphthacene and triphenylene (as a simple indicator of shape selectivity). Using this method we determined the liquid phase percentage (LPP) in Sil-ODAn, polymeric ODS, and monomeric ODS at various temperatures. We suggest LPP as a semiquantitative index of mobility for grafted organic layers.Key words: comb-shaped polymer, nanocomposite, alkyl chain mobility, NMR, liquid chromatography.

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13

Klein, Harald, Hartmut Fuess, and Gerhard Schrimpf. "Mobility of Aromatic Molecules in Zeolite NaY by Molecular Dynamics Simulation." Journal of Physical Chemistry 100, no. 26 (January 1996): 11101–12. http://dx.doi.org/10.1021/jp960575b.

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14

Sattler, Laura, and Peter L. Graumann. "Assembly of <b><i>Bacillus subtilis</i></b> Dynamin into Membrane-Protective Structures in Response to Environmental Stress Is Mediated by Moderate Changes in Dynamics at a Single Molecule Level." Microbial Physiology 32, no. 1-2 (2022): 57–70. http://dx.doi.org/10.1159/000521585.

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Dynamin-like proteins are membrane-associated GTPases, conserved in bacteria and in eukaryotes, that can mediate nucleotide-driven membrane deformation or membrane fusion reactions. <i>Bacillus subtilis’</i> DynA has been shown to play an important role in protecting cells against chemicals that induce membrane leakage, and to form an increased number of membrane-associated structures after induction of membrane stress. We have studied the dynamics of DynA at a single molecule level in real time, to investigate how assembly of stress-induced structures is accompanied by changes in molecule dynamics. We show that DynA molecule displacements are best described by the existence of three distinct populations, a static mode, a low-mobility, and a fast-mobile state. Thus, DynA is most likely freely diffusive within the cytosol, moves along the cell membrane with a low mobility, and arrests at division sites or at stress-induced lesions at the membrane. In response to stress-inducing membrane leakage, but not to general stress, DynA molecules become slightly more static, but largely retain their mobility, suggesting that only few molecules are involved in the repair of membrane lesions, while most molecules remain in a dynamic mode scanning for lesions. Our data suggest that even moderate changes in single molecule dynamics can lead to visible changes in protein localization patterns.

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15

Fitzner, Martin, Gabriele C. Sosso, Stephen J. Cox, and Angelos Michaelides. "Ice is born in low-mobility regions of supercooled liquid water." Proceedings of the National Academy of Sciences 116, no. 6 (January 22, 2019): 2009–14. http://dx.doi.org/10.1073/pnas.1817135116.

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When an ice crystal is born from liquid water, two key changes occur: (i) The molecules order and (ii) the mobility of the molecules drops as they adopt their lattice positions. Most research on ice nucleation (and crystallization in general) has focused on understanding the former with less attention paid to the latter. However, supercooled water exhibits fascinating and complex dynamical behavior, most notably dynamical heterogeneity (DH), a phenomenon where spatially separated domains of relatively mobile and immobile particles coexist. Strikingly, the microscopic connection between the DH of water and the nucleation of ice has yet to be unraveled directly at the molecular level. Here we tackle this issue via computer simulations which reveal that (i) ice nucleation occurs in low-mobility regions of the liquid, (ii) there is a dynamical incubation period in which the mobility of the molecules drops before any ice-like ordering, and (iii) ice-like clusters cause arrested dynamics in surrounding water molecules. With this we establish a clear connection between dynamics and nucleation. We anticipate that our findings will pave the way for the examination of the role of dynamical heterogeneities in heterogeneous and solution-based nucleation.

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16

Buchert, Karen L., Jack L. Koenig, Shi-Qing Wang, and John L. West. "Molecular Motion Analysis of E7 in PDLCs as a Function of Droplet Size Using Solid-State 13C NMR Relaxation Spectroscopy." Applied Spectroscopy 47, no. 7 (July 1993): 942–51. http://dx.doi.org/10.1366/0003702934415219.

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13C NMR relaxation spectroscopy as applied to polymer-dispersed liquid crystals (PDLCs) provides a method for measuring the molecular motions of the liquid crystal molecules within droplets dispersed throughout the material's polymer matrix. Because liquid crystal molecular motion may play a major role in the switching phenomenon of PDLC materials from an opaque film to a clear film, both T1 and T1ρ relaxation experiments are used to measure molecular mobility of the liquid crystal as a function of droplet size for PDLC materials made of E7 and epoxy. The segmental molecular motions measured by T1ρ relaxation show a significant dependence on liquid crystal droplet size. Three models are provided which explain the observed restriction in segmental mobility of the liquid crystal molecules as the droplet size decreases and the polymer/liquid crystal interaction increases.

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17

Petrov, Andrey V., Michael A. Smirnov, Maria P. Sokolova, and Alexander M. Toikka. "Influence of Water Concentration on Its Mobility in Matrimid®." Coatings 9, no. 8 (July 25, 2019): 466. http://dx.doi.org/10.3390/coatings9080466.

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Mobility of water in polyheteroarylene (Matrimid®) was simulated at 300 K and different concentrations of water (0.5 wt.%–3 wt.%). Parameters of anomalous diffusion were calculated from molecular dynamics simulations on the base of mean square displacements of water molecules. It was found that mobility of water has nonmonotonic dependence on its concentration. Lower diffusion rates at concentrations below than 1 wt.% can be attributed to the sorption of water onto the polar groups of polymer (sorption sites). Decreasing of diffusion rate with increasing of water concentration is due to the formation of clusters of water molecules, which hampers the penetration of water between polymer chains.

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18

Johnston, S. T., J. Massey, E. von Meerwall, S. H. Kim, V. Yu Levin, and A. I. Isayev. "Ultrasound Devulcanization of SBR: Molecular Mobility of Gel and Sol." Rubber Chemistry and Technology 70, no. 2 (May 1, 1997): 183–93. http://dx.doi.org/10.5254/1.3538423.

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Abstract In an effort to support the recycling of rubbery polymers and composites, 1H NMR relaxation and pulsedgradient spin echo diffusion measurements have been performed on virgin and unfilled vulcanized strene-butadiene rubber (SBR), and networks after various extents of devulcanization using an ultrasound technique. The NMR methods recognize unentangled light molecules (e.g. sol), but do not distinguish between unattached entangled large molecules and chemical network segments. Devulcanization generates additional sol with a wide mass distribution, thus increasing both sol and gel mobility, but decreasing sol mean diffusivity. The latter effect is accounted for by the increasing mean sol molecular mass but also by the increasing glass transition temperature, which is related to main-chain stiffening seen in our earlier 13C NMR experiments. In addition to improving the molecular-level understanding of devulcanization, this study provides guidance for the optimization of the devulcanization parameters.

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19

Grebenkin, S. Yu, and B. V. Bol'shakov. "Rotational Mobility of Guest Molecules ino-Terphenyl belowTg." Journal of Physical Chemistry B 110, no. 17 (May 2006): 8582–86. http://dx.doi.org/10.1021/jp057487o.

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20

Liang, Shuai, and Peter G. Kusalik. "The Mobility of Water Molecules through Gas Hydrates." Journal of the American Chemical Society 133, no. 6 (February 16, 2011): 1870–76. http://dx.doi.org/10.1021/ja108434h.

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21

Avetisov, V. A., and A. Kh Bikulov. "Ultrametricity of fluctuation dynamic mobility of protein molecules." Proceedings of the Steklov Institute of Mathematics 265, no. 1 (July 2009): 75–81. http://dx.doi.org/10.1134/s0081543809020060.

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22

Pérez-Hernández, Natalia, Trung Quan Luong, Martín Febles, Carlos Marco, Hans-Heinrich Limbach, Martina Havenith, Cirilo Pérez, María Victoria Roux, Ricardo Pérez, and Julio D. Martín. "The Mobility of Water Molecules through Hydrated Pores." Journal of Physical Chemistry C 116, no. 17 (April 23, 2012): 9616–30. http://dx.doi.org/10.1021/jp301323c.

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23

Alvira, E. "Mobility of linear molecules inside and aroundβ-cyclodextrin." Molecular Physics 107, no. 16 (August 20, 2009): 1697–704. http://dx.doi.org/10.1080/00268970903025691.

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24

Schulz, M., B. M. Schulz, P. Reineker, and S. Trimper. "Mobility of catalyst molecules in low-dimensional geometries." Chemical Physics 282, no. 3 (September 2002): 379–87. http://dx.doi.org/10.1016/s0301-0104(02)00749-8.

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25

Horner, Andreas, Florian Zocher, Johannes Preiner, Nicole Ollinger, Christine Siligan, Sergey A. Akimov, and Peter Pohl. "Mobility of Single-File Water Molecules in Aquaporins." Biophysical Journal 108, no. 2 (January 2015): 182a. http://dx.doi.org/10.1016/j.bpj.2014.11.1005.

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26

Stolov, A. A., D. I. Kamalova, A. B. Remizov, and O. E. Zgadzai. "Small conformationally mobile molecules as probes for molecular mobility in glassy polymers." Polymer 35, no. 12 (June 1994): 2591–95. http://dx.doi.org/10.1016/0032-3861(94)90384-0.

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Espenel, Cedric, Emmanuel Margeat, Patrice Dosset, Cécile Arduise, Christian Le Grimellec, Catherine A. Royer, Claude Boucheix, Eric Rubinstein, and Pierre-Emmanuel Milhiet. "Single-molecule analysis of CD9 dynamics and partitioning reveals multiple modes of interaction in the tetraspanin web." Journal of Cell Biology 182, no. 4 (August 18, 2008): 765–76. http://dx.doi.org/10.1083/jcb.200803010.

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Tetraspanins regulate cell migration, sperm–egg fusion, and viral infection. Through interactions with one another and other cell surface proteins, tetraspanins form a network of molecular interactions called the tetraspanin web. In this study, we use single-molecule fluorescence microscopy to dissect dynamics and partitioning of the tetraspanin CD9. We show that lateral mobility of CD9 in the plasma membrane is regulated by at least two modes of interaction that each exhibit specific dynamics. The majority of CD9 molecules display Brownian behavior but can be transiently confined to an interaction platform that is in permanent exchange with the rest of the membrane. These platforms, which are enriched in CD9 and its binding partners, are constant in shape and localization. Two CD9 molecules undergoing Brownian trajectories can also codiffuse, revealing extra platform interactions. CD9 mobility and partitioning are both dependent on its palmitoylation and plasma membrane cholesterol. Our data show the high dynamic of interactions in the tetraspanin web and further indicate that the tetraspanin web is distinct from raft microdomains.

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Weisiger, Richard A. "Saturable stimulation of fatty acid transport through model cytoplasm by soluble binding protein." American Journal of Physiology-Gastrointestinal and Liver Physiology 277, no. 1 (July 1, 1999): G109—G119. http://dx.doi.org/10.1152/ajpgi.1999.277.1.g109.

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To better define the role of soluble binding proteins in the cytoplasmic transport of amphipathic molecules, we measured the diffusional mobility of a fluorescent long-chain fatty acid, 12- N-methyl-(7-nitrobenz-2-oxa-1,3-diazol)aminostearate (NBD-stearate), through model cytoplasm as a function of soluble binding protein concentration. Diffusional mobilities were correlated with the partition of the fatty acid between membrane and protein binding sites. Cytoplasm was modeled as a dense suspension of liposomes, and albumin was used as a model binding protein. Albumin saturably increased NBD-stearate mobility through the membrane suspension approximately eightfold. Fatty acid mobility in the absence of albumin was identical to the mobility of the membrane vesicles (1.99 ± 0.33 × 10−8cm2/s), whereas the mobility at saturating concentrations was identical to the mobility of albumin (1.65 ± 0.12 × 10−7cm2/s). The protein concentration producing half-maximal stimulation of NBD-stearate diffusion (42.8 ± 0.3 μM) was unexpectedly greater than that required to solubilize half of the NBD-stearate (17.9 ± 3.0 μM). These results support a proposed mechanism for cytoplasmic transport of small amphipathic molecules in which aqueous diffusion of the protein-bound form of the molecule largely determines the transport rate. However, slow interchange of fatty acid between the binding protein and membranes also appears to influence the transport rate in this model system.

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Mehboob, Muhammad Yasir, Muhammad Usman Khan, Riaz Hussain, Rafia Fatima, Zobia Irshad, and Muhammad Adnan. "Designing of near-infrared sensitive asymmetric small molecular donors for high-efficiency organic solar cells." Journal of Theoretical and Computational Chemistry 19, no. 08 (September 18, 2020): 2050034. http://dx.doi.org/10.1142/s0219633620500340.

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Herein, we have designed four small molecular donors (SMDs) with Donor–Acceptor–Acceptor (D–Á–A) backbone having different acceptor units for highly efficient organic solar cells (OSCs). The specific molecular modeling has been made by replacing the additional acceptor unit (A) of recently synthesized TPA-DAA-MDN molecule (R) by employing different highly efficient acceptor units in order to improve the photovoltaic performances of the molecules. A theoretical approach (DFT and TD-DFT) has been applied to investigate the photophysical, opto-electronic and photovoltaic parameters of the designed molecules (DAA1–DAA4) and compared with the reference molecule (R). The red-shifting absorption of SMDs is the most important factor for highly efficient OSCs. Our all formulated molecules showed a red shifted absorption spectrum and also exhibit near IR sensitivity. Acceptor unit modification of R molecule causes reduction in HOMO-LUMO energy gap; therefore, all designed molecules offer better opto-electronic properties as compared to R molecule. A variety of certain critical factors essential for efficient SMDs like frontier molecular orbitals (FMOs), absorption maxima, dipole moment, exciton binding energy along with transition density matrix, excitation energy, open circuit voltages and charge mobilities of (DAA1–DAA4) and R have also been investigated. Generally, low values of reorganizational energy (hole and electron) offer high charge mobility and our all designed molecules are enriched in this aspect. High open circuit voltage values, low excitation energies, large dipole moment values indicate that our designed SMDs are suitable candidates for high-efficiency OSCs. Furthermore, conceptualized molecules are superior and thus are suggested to experimentalist for out-looking future progresses of highly efficient OSCs devices.

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Barreiro-Alonso, Aída, Ángel Vizoso-Vázquez, Mónica Lamas-Maceiras, and María-Esperanza Cerdán. "HMG Proteins from Molecules to Disease." Biomolecules 12, no. 2 (February 17, 2022): 319. http://dx.doi.org/10.3390/biom12020319.

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31

Xiao, Wen-Jing, Jiandong Wang, Hong-Jiao Li, Long Liang, Xuan Xiang, Xue-Qiang Chen, Jingjing Li, Zhengquan Lu, and Wei-Shi Li. "Interconnecting semiconducting molecules with non-conjugated soft linkers: a way to improve film formation quality without sacrifice in charge mobility." RSC Advances 8, no. 42 (2018): 23546–54. http://dx.doi.org/10.1039/c8ra04405h.

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For small molecular semiconductors, interconnecting their molecules with non-conjugated soft linkers has been demonstrated to be a good way for improving their film formation quality while keeping their mobility intact for OFETs.

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32

Liu, Shenghua, Changqing Li, Xiaomin Xu, Peng You, Naixiang Wang, Jianfang Wang, Qian Miao, and Feng Yan. "Efficiency enhancement of organic photovoltaics by introducing high-mobility curved small-molecule semiconductors as additives." Journal of Materials Chemistry A 7, no. 20 (2019): 12740–50. http://dx.doi.org/10.1039/c9ta02636c.

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Highly efficient OPVs are successfully fabricated by introducing high-mobility curved organic semiconductors. The significant enhancement of the device efficiency induced by the curved molecules can be attributed to increased hole mobility in the active layer and intimate interaction between the curved molecules and PC₇₁BM.

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33

Mashanov, G. I., T. A. Nenasheva, M. Peckham, and J. E. Molloy. "Cell biochemistry studied by single-molecule imaging." Biochemical Society Transactions 34, no. 5 (October 1, 2006): 983–88. http://dx.doi.org/10.1042/bst0340983.

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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.

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34

He, Dan, Fuwen Zhao, Li Jiang, and Chunru Wang. "A–D–A small molecule acceptors with ladder-type arenes for organic solar cells." Journal of Materials Chemistry A 6, no. 19 (2018): 8839–54. http://dx.doi.org/10.1039/c8ta02534g.

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A–D–A small molecule acceptors possess strong absorption in the visible or NIR region, low bandgaps, relatively high electron mobility and proper miscibility with donors, which enables the achievement of high power conversion efficiency for organic solar cells based on these molecules.

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35

Gunzer, Frank. "Comparison of Experimental and Calculated Ion Mobilities of Small Molecules in Air." Journal of Analytical Methods in Chemistry 2016 (2016): 1–6. http://dx.doi.org/10.1155/2016/6246415.

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Ion mobility spectrometry is a well-known technique for analyzing gases. Examples are military applications, but also safety related applications, for example, for protection of employees in industries working with hazardous gases. In the last 15 years, this technique has been further developed as a tool for structural analysis, for example, in pharmaceutical applications. In particular, the collision cross section, which is related to the mobility, is of interest here. With help of theoretic principles, it is possible to develop molecular models that can be verified by the comparison of their calculated cross sections with experimental data. In this paper, it is analyzed how well the ion trajectory method is suitable to reproduce the measured ion mobility of small organic molecules such as the water clusters forming the positively charged reactant ions, simple aromatic substances, and n-alkanes.

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36

Biernatowska, Agnieszka, Karolina Wójtowicz, Tomasz Trombik, Aleksander F. Sikorski, and Aleksander Czogalla. "MPP1 Determines the Mobility of Flotillins and Controls the Confinement of Raft-Associated Molecules." Cells 11, no. 3 (January 18, 2022): 311. http://dx.doi.org/10.3390/cells11030311.

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MPP1 (membrane palmitoylated protein 1) belongs to the MAGUK (membrane-associated guanylate kinase homologs) scaffolding protein family. These proteins organize molecules into complexes, thereby maintaining the structural heterogeneity of the plasma membrane (PM). Our previous results indicated that direct, high-affinity interactions between MPP1 and flotillins (raft marker proteins) display dominant PM-modulating capacity in erythroid cells. In this study, with high-resolution structured illuminated imaging, we investigated how these complexes are organized within erythroid cells on the nanometer scale. Furthermore, using other spectroscopic techniques, namely fluorescence recovery after photobleaching (FRAP) and spot-variation fluorescence correlation spectroscopy (svFCS), we revealed that MPP1 acts as a key raft-capturing molecule, regulating temporal immobilization of flotillin-based nanoclusters, and controls local concentration and confinement of sphingomyelin and Thy-1 in raft nanodomains. Our data enabled us to uncover molecular principles governing the key involvement of MPP1-flotillin complexes in the dynamic nanoscale organization of PM of erythroid cells.

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37

Pengmanayol, Surachai, and Janit Girdpun. "Calculation of Carrier Mobility in Copper Phthalocyanine by Simple Hopping Model." Key Engineering Materials 675-676 (January 2016): 3–6. http://dx.doi.org/10.4028/www.scientific.net/kem.675-676.3.

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The Monte Carlo approach is used to calculate carrier mobility in molecular copper phthalocyanine (CuPc) with applied electric field in the range of 0.5 to 20 × 103 kV/cm. Density functional theory (DFT) is employed to derive the molecular interaction between neighboring molecules with various applied electric fields. The result of DFT calculation to evaluate transfer integral that used to calculate hopping rate in the range of applied electric fields. The charge transfer rate between adjacent molecules can be estimated by using the Marcus–Levich–Jortner (MLJ) formalism. The charge is assumed to be localized on the donor and then transferred to the acceptor. Tunneling is modeled by including selected vibration modes at the quantum mechanical level. The result of hopping rate is in ordered of 1015 s-1 for hole hopping in direction of applied electric field on the contrary hopping rate in ordered of 1014 s-1. The result of mobility can be calculated in range of 0.44 - 10.0 cm2/Vs decrease as a function of applied electric field that calculated by simple hopping model.

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38

Hao, Wei, Yishan Wang, Hu Zhao, Jia Zhu, and Shuzhou Li. "Strong dependence of the vertical charge carrier mobility on the π–π stacking distance in molecule/graphene heterojunctions." Physical Chemistry Chemical Physics 22, no. 24 (2020): 13802–7. http://dx.doi.org/10.1039/d0cp01520b.

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39

Morga, Maria, Piotr Batys, Dominik Kosior, Piotr Bonarek, and Zbigniew Adamczyk. "Poly-L-Arginine Molecule Properties in Simple Electrolytes: Molecular Dynamic Modeling and Experiments." International Journal of Environmental Research and Public Health 19, no. 6 (March 17, 2022): 3588. http://dx.doi.org/10.3390/ijerph19063588.

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Physicochemical properties of poly-L-arginine (P-Arg) molecules in NaCl solutions were determined by molecular dynamics (MD) modeling and various experimental techniques. Primarily, the molecule conformations, the monomer length and the chain diameter were theoretically calculated. These results were used to interpret experimental data, which comprised the molecule secondary structure, the diffusion coefficient, the hydrodynamic diameter and the electrophoretic mobility determined at various ionic strengths and pHs. Using these data, the electrokinetic charge and the effective ionization degree of P-Arg molecules were determined. In addition, the dynamic viscosity measurements for dilute P-Arg solutions enabledto determine the molecule intrinsic viscosity, which was equal to 500 and 90 for ionic strength of 10−5 and 0.15 M, respectively. This confirmed that P-Arg molecules assumed extended conformations and approached the slender body limit at the low range of ionic strength. The experimental data were also used to determine the molecule length and the chain diameter, which agreed with theoretical predictions. Exploiting these results, a robust method for determining the molar mass of P-Arg samples, the hydrodynamic diameter, the radius of gyration and the sedimentation coefficient was proposed.

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40

Song, Ya Kun, Jing You, Shi Rong Wang, and Xiang Gao Li. "Application of Bässler′s Energy and Position Disorder Model and Hoping Model in Hole Transport Material." Applied Mechanics and Materials 161 (March 2012): 134–39. http://dx.doi.org/10.4028/www.scientific.net/amm.161.134.

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The Bässler’s energy and position disorder model is used to study the relationship between molecular structure of hole-transport materials and performance of the photoreceptor. The result shows that dipolar moments of hole-transport materials (HTM) are inverse proportion to the half decay exposures (E1/2) of the Organic photoreceptors (OPC) which closely related with the hole-mobility of hole-transport layer. In this article Marcus hopping theory and DFT method are also used to calculate the hole-mobility of four hole-transport materials (HTM). The compare of the half decay exposures of OPCs used these material as hole-transport layer and hole mobility, dipolar moments of these molecules show that the E1/2 increases with decrease of hole mobility and dipolar moment.

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41

Chuang, Po-Hsiang, Yu-Hui Tseng, Yunhui Fang, Miaomiao Gui, Xiuxing Ma, and Jinjing Luo. "Effect of Side Chain Length on Polycarboxylate Superplasticizer in Aqueous Solution: A Computational Study." Polymers 11, no. 2 (February 17, 2019): 346. http://dx.doi.org/10.3390/polym11020346.

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Molecular dynamics simulations were carried out to study the conformations of polycarboxylate ether (PCE) superplasticizers with different side chain lengths in aqueous solution. For four types of PCE molecules—PCE1, PCE2, PCE3, and PCE4—the steric hindrance between the PCE molecules increased with increasing side chain length. The side chain length not only affects water mobility but also affects the distribution of water molecules in the system. Simulation results indicate that water molecules were trapped by the PCE molecules, reducing the diffusion properties. PCE molecules with long side chains have more water molecules probability around the main chain and fewer water molecules probability near the side chain. Microscopic-level knowledge of the interaction between superplasticizer and water molecules facilitates understanding of the performance of superplasticizers in cement systems.

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42

García-Macedo, Jorge A., A. Franco, Guadalupe Valverde-Aguilar, and M. A. Ríos-Enríquez. "Mobility of DR1 Molecules Embedded in Nanostructured PMMA Films." Journal of Nano Research 5 (February 2009): 135–42. http://dx.doi.org/10.4028/www.scientific.net/jnanor.5.135.

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The kinetics of the orientation of Disperse Red 1 (DR1) molecules embedded in nanostructured Polymethylmetacrylate (PMMA) films was studied under the effect of an intense constant electric poling field. The changes in the orientation distribution of the DR1 molecules were followed by Second Harmonic Generation (SHG) measurements. The SHG signal was recorded as function of time at three different temperatures. We focused on both, the signal increases under the presence of the poling field and the signal decays without the poling field. The studied PMMA films were nanostructured by the incorporation of ionic surfactants as the Sodium Dodecyl Sulfate (SDS) and the Cetyl Trimethyl Ammonium Bromide (CTAB) during their preparation. The kinds of nanostructures obtained in the films were determined by means of X-ray diffraction (XRD) measurements. Substantial differences in signal intensity and in growth and decay rates between amorphous and nanostructured films were found.

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43

Lin, L. ‐B, S. A. Jenekhe, and P. M. Borsenberger. "High electron mobility in bipolar composites of organic molecules." Applied Physics Letters 69, no. 23 (December 2, 1996): 3495–97. http://dx.doi.org/10.1063/1.117223.

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44

Cebrián, Jorge, Maridian J. Kadomatsu-Hermosa, Alicia Castán, Víctor Martínez, Cristina Parra, María José Fernández-Nestosa, Christian Schaerer, et al. "Electrophoretic mobility of supercoiled, catenated and knotted DNA molecules." Nucleic Acids Research 43, no. 4 (November 20, 2014): e24-e24. http://dx.doi.org/10.1093/nar/gku1255.

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45

Kapanidis, Achillefs N., Stephan Uphoff, and Mathew Stracy. "Understanding Protein Mobility in Bacteria by Tracking Single Molecules." Journal of Molecular Biology 430, no. 22 (October 2018): 4443–55. http://dx.doi.org/10.1016/j.jmb.2018.05.002.

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46

Van Quaethem, Anne, Perrine Lussis, David A. Leigh, Anne-Sophie Duwez, and Charles-André Fustin. "Probing the mobility of catenane rings in single molecules." Chemical Science 5, no. 4 (2014): 1449. http://dx.doi.org/10.1039/c3sc53113a.

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47

Girlich, D., and H. D. Lüdemann. "Molecular Mobility of the Water Molecules in Aqueous Sucrose Solutions, Studied by 2H-NMR Relaxation." Zeitschrift für Naturforschung C 49, no. 3-4 (April 1, 1994): 250–57. http://dx.doi.org/10.1515/znc-1994-3-414.

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Deuteron spin lattice relaxation times T1 of sucrose/D2O solutions are given as function of temperature, pressure, frequency and concentration. From the temperature dependence of the 2H -T1 the rotational dynamics of the hydrated sucrose complex and the water molecules are determined. For high pressure and high concentrations the temperature dependence of the water molecules is described by a Vogel-Tammann-Fulcher equation. The ideal glass transition temperatures TOH2O derived for the water molecules are at higher concentrations almost constant and smaller than the TOsuc of the sugar molecules

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48

Galimberti, Daria, Alberto Milani, and Chiara Castiglioni. "Charge mobility in molecules: Charge fluxes from second derivatives of the molecular dipole." Journal of Chemical Physics 138, no. 16 (April 28, 2013): 164115. http://dx.doi.org/10.1063/1.4802009.

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49

Yoshioka, Hiroaki, Yusuke Itoh, Ayumu Kiyomori, and Yuji Oki. "Controlling mobility speed of dye molecules in polydimethylsiloxane through molecular weight and solubility." Optical Materials Express 6, no. 11 (October 5, 2016): 3417. http://dx.doi.org/10.1364/ome.6.003417.

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50

Wang, Huan, Bo Li, Ye-Jin Kim, Oh-Hoon Kwon, and Steve Granick. "Intermediate states of molecular self-assembly from liquid-cell electron microscopy." Proceedings of the National Academy of Sciences 117, no. 3 (January 7, 2020): 1283–92. http://dx.doi.org/10.1073/pnas.1916065117.

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Traditional single-molecule methods do not report whole-molecule kinetic conformations, and their adaptive shape changes during the process of self-assembly. Here, using graphene liquid-cell electron microscopy with electrons of low energy at low dose, we show that this approach resolves the time dependence of conformational adaptations of macromolecules for times up to minutes, the resolution determined by motion blurring, with DNA as the test case. Single-stranded DNA molecules are observed in real time as they hybridize near the solid surface to form double-stranded helices; we contrast molecules the same length but differing in base-pair microstructure (random, blocky, and palindromic hairpin) whose key difference is that random sequences possess only one stable final state, but the others offer metastable intermediate structures. Hybridization is observed to couple with enhanced translational mobility and torsion-induced rotation of the molecule. Prevalent transient loops are observed in error-correction processes. Transient melting and other failed encounters are observed in the competitive binding of multiple single-stranded molecules. Among the intermediate states reported here, some were predicted but not observed previously, and the high incidence of looping and enhanced mobility come as surprises. The error-producing mechanisms, failed encounters, and transient intermediate states would not be easily resolved by traditional single-molecule methods. The methods generalize to visualize motions and interactions of other organic macromolecules.

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