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373 Newest Publications in proceedings of the national academy of sciences current issue

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Eddy current and coupled landscapes for nonadiabatic and nonequilibrium complex system dynamics [Chemistry]

10-09-2013 | Kun Zhang; Masaki Sasai; Jin Wang, Proceedings of the National Academy of Sciences current issue, 2013

Physical and biological systems are often involved with coupled processes of different time scales. In the system with electronic and atomic motions, for example, the interplay between the atomic motion along the same energy landscape and the electronic hopping between different landscapes is ...

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Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins [Chemistry]

10-09-2013 | Nicolas Renaud; Yuri A. Berlin; Mark A. Ratner, Proceedings of the National Academy of Sciences current issue, 2013

Numerical studies of hole migration along short DNA hairpins were performed with a particular emphasis on the variations of the rate and quantum yield of the charge separation process with the location of a single guanine:cytosine (G:C) base pair. Our calculations show that the hole arrival rate ...

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Spin-dependent electron transmission through bacteriorhodopsin embedded in purple membrane [Chemistry]

10-09-2013 | Debabrata Mishra; Tal Z. Markus; Ron Naaman; Matthias Kettner; Benjamin Göhler; Helmut Zacharias; Noga Friedman; Mor ..., Proceedings of the National Academy of Sciences current issue, 2013

Spin-dependent photoelectron transmission and spin-dependent electrochemical studies were conducted on purple membrane containing bacteriorhodopsin (bR) deposited on gold, aluminum/aluminum-oxide, and nickel substrates. The result indicates spin selectivity in electron transmission through the ...

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Axial interactions in the mixed-valent CuA active site and role of the axial methionine in electron transfer [Chemistry]

03-09-2013 | Ming-Li Tsai; Ryan G. Hadt; Nicholas M. Marshall; Tiffany D. Wilson; Yi Lu; Edward I. Solomon, Proceedings of the National Academy of Sciences current issue, 2013

Within Cu-containing electron transfer active sites, the role of the axial ligand in type 1 sites is well defined, yet its role in the binuclear mixed-valent CuA sites is less clear. Recently, the mutation of the axial Met to Leu in a CuA site engineered into azurin (CuA Az) was...

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Small molecules mediate bacterial farming by social amoebae [Chemistry]

03-09-2013 | Robert A. Raguso, Proceedings of the National Academy of Sciences current issue, 2013

The origin of domestication persists as an important question at the nexus between biology, archaeology, and history (1). As intensive research continues apace on organisms whose domestication accompanied the emergence of modern human societies (2, 3), the study of agricultural evolution has ...

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Pulsed hydrogen-deuterium exchange mass spectrometry probes conformational changes in amyloid beta (A{beta}) peptide aggregation [Chemistry]

03-09-2013 | Ying Zhang; Don L. Rempel; Jun Zhang; Anuj K. Sharma; Liviu M. Mirica; Michael L. Gross, Proceedings of the National Academy of Sciences current issue, 2013

Probing the conformational changes of amyloid beta (Aβ) peptide aggregation is challenging owing to the vast heterogeneity of the resulting soluble aggregates. To investigate the formation of these aggregates in solution, we designed an MS-based biophysical approach and applied it to the ...

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Knots and nonorientable surfaces in chiral nematics [Physics]

27-08-2013 | Thomas Machon; Gareth P. Alexander, Proceedings of the National Academy of Sciences current issue, 2013

Knots and knotted fields enrich physical phenomena ranging from DNA and molecular chemistry to the vortices of fluid flows and textures of ordered media. Liquid crystals provide an ideal setting for exploring such topological phenomena through control of their characteristic defects. The use of ...

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Tuning a riboswitch response through structural extension of a pseudoknot [Chemistry]

27-08-2013 | Marie F. Soulière; Roger B. Altman; Veronika Schwarz; Andrea Haller; Scott C. Blanchard; Ronald Micura, Proceedings of the National Academy of Sciences current issue, 2013

Structural and dynamic features of RNA folding landscapes represent critical aspects of RNA function in the cell and are particularly central to riboswitch-mediated control of gene expression. Here, using single-molecule fluorescence energy transfer imaging, we explore the folding dynamics of the ...

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A combination of directing groups and chiral anion phase-transfer catalysis for enantioselective fluorination of alkenes [Chemistry]

20-08-2013 | Jeffrey Wu; Yi-Ming Wang; Amela Drljevic; Vivek Rauniyar; Robert J. Phipps; F. Dean Toste, Proceedings of the National Academy of Sciences current issue, 2013

We report a catalytic enantioselective electrophilic fluorination of alkenes to form tertiary and quaternary C(sp3)-F bonds and generate β-amino- and β-aryl-allylic fluorides. The reaction takes advantage of the ability of chiral phosphate anions to serve as solid–liquid phase transfer catalysts ...

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Reactivity landscape of pyruvate under simulated hydrothermal vent conditions [Chemistry]

13-08-2013 | Yehor Novikov; Shelley D. Copley, Proceedings of the National Academy of Sciences current issue, 2013

Pyruvate is an important “hub” metabolite that is a precursor for amino acids, sugars, cofactors, and lipids in extant metabolic networks. Pyruvate has been produced under simulated hydrothermal vent conditions from alkyl thiols and carbon monoxide in the presence of transition metal sulfides at ...

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