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  • 1
    Language: English
    In: Science (New York, N.Y.), 24 May 2013, Vol.340(6135), pp.991-4
    Description: Cell-cell and cell-matrix mechanical interactions through membrane receptors direct a wide range of cellular functions and orchestrate the development of multicellular organisms. To define the single molecular forces required to activate signaling through a ligand-receptor bond, we developed the tension gauge tether (TGT) approach in which the ligand is immobilized to a surface through a rupturable tether before receptor engagement. TGT serves as an autonomous gauge to restrict the receptor-ligand tension. Using a range of tethers with tunable tension tolerances, we show that cells apply a universal peak tension of about 40 piconewtons (pN) to single integrin-ligand bonds during initial adhesion. We find that less than 12 pN is required to activate Notch receptors. TGT can also provide a defined molecular mechanical cue to regulate cellular functions.
    Keywords: Cell Communication ; Mechanotransduction, Cellular ; Integrins -- Agonists ; Receptors, Notch -- Agonists
    ISSN: 00368075
    E-ISSN: 1095-9203
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  • 2
    Language: English
    In: The journal of physical chemistry. A, 21 February 2013, Vol.117(7), pp.1508-13
    Description: Laser-ablated beryllium atom has been codeposited at 4 K with hydrogen sulfide in excess noble gas matrices. Four noble-gas compounds NgBeS (Ng = Ne, Ar, Kr, Xe) and the BeS(2) molecule are identified on the basis of the S-34 isotopic substitution, DFT and CCSD(T) theoretical predictions, and a comparison of noble-gas substitution. The agreement between the experimental and calculated vibrational frequencies supports the identification of these molecules. The dissociation energies are calculated at 1.6, 12.6, 10.7, and 13.4 kcal/mol for NeBeS, ArBeS, KrBeS, and XeBeS, respectively, at the CCSD(T) level. The BeS Lewis acid molecule favors strong chemical binding between the Be and Ng atoms.
    Keywords: Beryllium -- Chemical Properties ; Chemical Bonds -- Analysis ; Dissociation Reactions -- Analysis ; Noble Gas Compounds -- Chemical Properties ; Substitution Reactions -- Analysis;
    ISSN: 10895639
    E-ISSN: 1520-5215
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  • 3
    Language: English
    In: Journal of the American Chemical Society, 23 March 2011, Vol.133(11), pp.3768-71
    Description: Electron-deficient group 13 metals react with F(2) to give the compounds MF(2) (M = B, Al, Ga, In, Tl), which combine with F(2) to form a new class of very high electron affinity neutral molecules, (F(2))MF(2), in solid argon and neon. These (F(2))MF(2) fluorine metal difluoride molecules were identified through matrix IR spectra containing new antisymmetric and symmetric M-F stretching modes. The assignments were confirmed through close comparisons with frequency calculations using DFT methods, which were calibrated against the MF(3) molecules observed in all of the spectra. Electron affinities calculated at the CCSD(T) level fall between 7.0 and 7.8 eV, which are in the range of the highest known electron affinities.
    Keywords: Quantum Chemistry -- Analysis ; Infrared Spectroscopy -- Analysis ; Gallium Compounds -- Spectra ; Indium -- Spectra;
    ISSN: 00027863
    E-ISSN: 1520-5126
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  • 4
    Language: English
    In: Journal of Physical Chemistry A, Nov 10, 2011, Vol.115(44), p.12194-12200
    Keywords: Acetylene -- Chemical Properties ; Density Functional Theory -- Usage ; Hydrogen Bonds -- Analysis ; Infrared Spectroscopy -- Usage ; Ruthenium -- Chemical Properties ; Molecular Orbitals -- Research
    ISSN: 1089-5639
    Source: Cengage Learning, Inc.
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  • 5
    Language: English
    In: The journal of physical chemistry. A, 20 September 2012, Vol.116(37), pp.9261-70
    Description: Laser-ablated iridium atom has been codeposited at 4 K with acetylene in excess argon. The vinylidene IrCCH(2), insertion product HIrCCH, and metallacycle complexes Ir-η(2)-(C(2)H(2)) and Ir-η(2)-(C(2)H(2))(2) are produced in present experiments and identified on the basis of the (13)C(2)H(2), C(2)D(2), and mixed C(2)HD isotopic substitutions and the comparison with theoretical predictions. The agreement between the experimental and calculated vibrational frequencies supports the identification of these molecules. Two alternative reaction mechanism of formation of Ir═C═CH(2) complex has been found on the potential energy surface of the studied system to account for the product formation. The conversion of acetylene to vinylidene on a Ir atom is exothermic by 3.4 kcal/mol based on the B3LYP functional calculations.
    Keywords: Iridium -- Chemical Properties ; Infrared Spectroscopy -- Usage ; Acetylene -- Chemical Properties;
    ISSN: 10895639
    E-ISSN: 1520-5215
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  • 6
    Language: English
    In: Biophysical Journal, 27 January 2015, Vol.108(2), pp.494a-495a
    Description: To link to full-text access for this article, visit this link: http://dx.doi.org/10.1016/j.bpj.2014.11.2705 Byline: Xuefeng Wang, Taekjip Ha Author Affiliation: physics, university of illinois at urbana-champaign, Urbana, IL, USA Article Note: (miscellaneous) 2497-Plat
    Keywords: Biology
    ISSN: 0006-3495
    E-ISSN: 1542-0086
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  • 7
    In: Physical Chemistry Chemical Physics, 2013, Vol.15(24), pp.9823-9832
    Description: Reactions of laser-ablated V, Nb and Ta atoms with SO 2 in excess argon during condensation gave new absorptions in the MO stretching region, which were assigned to metal sulfide oxides SMO 2 and anions SMO 2 (M = V, Nb, Ta). The metal oxide complex OV( 2 -SO) was also identified through the VO and the characteristic side-on coordinated SO stretching modes. The assignments of major vibrational modes were confirmed by appropriate S 18 O 2 and 34 SO 2 isotopic shifts, and density functional frequency calculations. DFT calculations were employed to study the behavior of reactions of Group V bare metal atoms with SO 2 , and a representative profile was derived which not only showed the preferred coordinating fashion of metal atoms but also tracked the path of SO bond activation. The 2 -O,O bridge coordinated complexes are preferred with energy decreases of ca. 50 kcal mol 1 for all three metals, which facilitate the activation of two SO bonds in succession and finally direct the reaction to the most stable molecules SMO 2 (M = V, Nb, Ta) along the potential energy surface (PES). Finally the SMO 2 molecules capture electrons to give anions SMO 2 with about 3.6 eV electron affinities based on DFT calculations.
    Keywords: Activation ; Niobium ; Tantalum ; Argon ; Anions ; Chemical Bonds ; Stretching ; Mathematical Analysis ; Miscellaneous Sciences (So);
    ISSN: 1463-9076
    E-ISSN: 1463-9084
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  • 8
    In: Nature Reviews Genetics, 2010, Vol.12(1), p.74
    Keywords: Genes -- Physiological Aspects ; Genes -- Research ; Genetic Transformation -- Research ; Phenotypes -- Research;
    ISSN: 1471-0056
    E-ISSN: 14710064
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  • 9
    Language: English
    In: The journal of physical chemistry. A, 15 December 2011, Vol.115(49), pp.14175-83
    Description: Laser ablated V, Nb, and Ta atoms react with molecular hydrogen in excess neon at 4 K to give vanadium, niobium, and tantalum dihydrides that further react with H(2) to form VH(2)(H(2)), NbH(4), and TaH(4). The reaction products are identified by deuterium and deuterium hydride isotopic substitution. DFT and CCSD theoretical calculations are used to predict energies, geometries, and vibrational frequencies for these novel metal hydrides complex and molecules. The vanadium dihydride hydrogen complex, VH(2)(H(2)), is identified, while the niobium and tantalum tetrahydrides, NbH(4) and TaH(4,) with D(2d) symmetry structures are confirmed. Reactions of group 5 metal atoms with H(2) condensing in solid hydrogen gave VH(2)(H(2)) and the higher tetrahydride-hydrogen complexes NbH(4)(H(2))(4) and TaH(4)(H(2))(4).
    Keywords: Density Functional Theory -- Usage ; Hydrides -- Chemical Properties ; Hydrides -- Spectra ; Hydrides -- Structure ; Substitution Reactions -- Analysis ; Tantalum Compounds -- Chemical Properties ; Tantalum Compounds -- Spectra ; Tantalum Compounds -- Structure ; Vanadium Compounds -- Chemical Properties ; Vanadium Compounds -- Spectra ; Vanadium Compounds -- Structure;
    ISSN: 10895639
    E-ISSN: 1520-5215
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  • 10
    Language: English
    In: The journal of physical chemistry. A, 01 September 2011, Vol.115(34), pp.9447-55
    Description: Laser-ablated Rh atoms react with C(2)H(2) upon co-condensation in excess argon and neon to form the insertion product HRhCCH, the alkyne RhCCH, the vinylidene RhCCH(2), and the metallacycle complex Rh-η(2)-(C(2)H(2)). These species are identified through (13)C(2)H(2), C(2)D(2), and mixed C(2)HD isotopic substitutions and density functional theory isotopic frequency calculations. The HRhCCH molecule is characterized by the CH stretching mode at 3306.2 cm(-1) (Ar) and 3310.9 cm(-1) (Ne), the Rh-H stretching mode at 2090.8 cm(-1) (Ar) and 2111.0 cm(-1) (Ne), and two CCH deformation modes at 584.3 and 573.3 cm(-1) (Ar) and 587.1 and 580.3 cm(-1) (Ne). The absorptions for the vinylidene RhCCH(2) complex are observed at 3150.9 (Ar), 3147.2 (Ne) (CH stretching), 1690.1 (Ar), 1694.3 (Ne) (CC stretching), and 804.9 (Ar), 810.5 cm(-1) (Ne) (CCH deformation). The metallacycle Rh-η(2)-(C(2)H(2)) complex is also identified through CC stretching and CCH deformation modes. The insertion reaction of ground Rh atom to the C-H bond is spontaneous on the basis of the growth of HRhCCH absorptions upon annealing in both solid neon and argon. Here, we show that atomic Rh can convert acetylene to the simple Rh vinylidene complex, analogous to that found for ligand-supported Rh complexes.
    Keywords: Absorption -- Analysis ; Condensation Reactions -- Analysis ; Density Functional Theory -- Usage ; Hydrogen Bonds -- Analysis ; Organometallic Compounds -- Chemical Properties ; Organometallic Compounds -- Spectra ; Rhodium -- Chemical Properties ; Rhodium -- Spectra;
    ISSN: 10895639
    E-ISSN: 1520-5215
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