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

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Amino acid modified Ni catalyst exhibits reversible H2 oxidation/production over a broad pH range at elevated temperatures [Chemistry]

18-11-2014 | Arnab Dutta; Daniel L. DuBois; John A. S. Roberts; Wendy J. Shaw, Proceedings of the National Academy of Sciences current issue, 2014

Hydrogenases interconvert H2 and protons at high rates and with high energy efficiencies, providing inspiration for the development of molecular catalysts. Studies designed to determine how the protein scaffold can influence a catalytically active site have led to the synthesis of amino acid ...

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Self-assembled MmsF proteinosomes control magnetite nanoparticle formation in vitro [Chemistry]

11-11-2014 | Andrea E. Rawlings; Jonathan P. Bramble; Robyn Walker; Jennifer Bain; Johanna M. Galloway; Sarah S. Staniland, Proceedings of the National Academy of Sciences current issue, 2014

Magnetotactic bacteria synthesize highly uniform intracellular magnetite nanoparticles through the action of several key biomineralization proteins. These proteins are present in a unique lipid-bound organelle (the magnetosome) that functions as a nanosized reactor in which the particle is ...

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Luminescence color switching of supramolecular assemblies of discrete molecular decanuclear gold(I) sulfido complexes [Chemistry]

11-11-2014 | Franky Ka-Wah Hau; Terence Kwok-Ming Lee; Eddie Chung-Chin Cheng; Vonika Ka-Man Au; Vivian Wing-Wah Yam, Proceedings of the National Academy of Sciences current issue, 2014

A series of discrete decanuclear gold(I) μ3-sulfido complexes with alkyl chains of various lengths on the aminodiphosphine ligands, [Au10{Ph2PN(CnH2n+1)PPh2}4(μ3-S)4](ClO4)2, has been synthesized and characterized. These complexes have been shown to form supramolecular nanoaggregate assemblies ...

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Redox chemistry in the phosphorus biogeochemical cycle [Earth, Atmospheric, and Planetary Sciences]

28-10-2014 | Matthew A. Pasek; Jacqueline M. Sampson; Zachary Atlas, Proceedings of the National Academy of Sciences current issue, 2014

The element phosphorus (P) controls growth in many ecosystems as the limiting nutrient, where it is broadly considered to reside as pentavalent P in phosphate minerals and organic esters. Exceptions to pentavalent P include phosphine—PH3—a trace atmospheric gas, and phosphite and hypophosphite, P ...

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Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations [Chemistry]

28-10-2014 | Michael C. Baxa; Esmael J. Haddadian; John M. Jumper; Karl F. Freed; Tobin R. Sosnick, Proceedings of the National Academy of Sciences current issue, 2014

The loss of conformational entropy is a major contribution in the thermodynamics of protein folding. However, accurate determination of the quantity has proven challenging. We calculate this loss using molecular dynamic simulations of both the native protein and a realistic denatured state ...

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Ultraefficient homogeneous catalyst for the CO2-to-CO electrochemical conversion [Chemistry]

21-10-2014 | Cyrille Costentin; Guillaume Passard; Marc Robert; Jean-Michel Savéant, Proceedings of the National Academy of Sciences current issue, 2014

A very efficient electrogenerated Fe0 porphyrin catalyst was obtained by substituting in tetraphenylporphyrin two of the opposite phenyl rings by ortho-, ortho'-phenol groups while the other two are perfluorinated. It proves to be an excellent catalyst of the CO2-to-CO conversion as to ...

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Designer substrate library for quantitative, predictive modeling of reaction performance [Chemistry]

14-10-2014 | Elizabeth N. Bess; Amanda J. Bischoff; Matthew S. Sigman, Proceedings of the National Academy of Sciences current issue, 2014

Assessment of reaction substrate scope is often a qualitative endeavor that provides general indications of substrate sensitivity to a measured reaction outcome. Unfortunately, this field standard typically falls short of enabling the quantitative prediction of new substrates’ performance. The ...

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Effects of geometry and chemistry on hydrophobic solvation [Biophysics and Computational Biology]

14-10-2014 | Robert C. Harris; B. Montgomery Pettitt, Proceedings of the National Academy of Sciences current issue, 2014

Inserting an uncharged van der Waals (vdw) cavity into water disrupts the distribution of water and creates attractive dispersion interactions between the solvent and solute. This free-energy change is the hydrophobic solvation energy (ΔGvdw). Frequently, it is assumed to be linear in the ...

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Molecular matchmaking between the popular weight-loss herb Hoodia gordonii and GPR119, a potential drug target for metabolic disorder [Chemistry]

07-10-2014 | Shuyong Zhang; Yuyong Ma; Jing Li; Junjun Ma; Biao Yu; Xin Xie, Proceedings of the National Academy of Sciences current issue, 2014

African cactiform Hoodia gordonii (Asclepiadaceae) has been used for thousands of years by Xhomani Bushmen as an anorexant during hunting trips and has been proposed as a new agent for the management of body weight. However, its in vivo targets and molecular mechanisms remain elusive. GPR119, a G ...

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Efficient biomass pretreatment using ionic liquids derived from lignin and hemicellulose [Applied Physical Sciences]

02-09-2014 | Aaron M. Socha; Ramakrishnan Parthasarathi; Jian Shi; Sivakumar Pattathil; Dorian Whyte; Maxime Bergeron; Anthe Geor ..., Proceedings of the National Academy of Sciences current issue, 2014

Ionic liquids (ILs), solvents composed entirely of paired ions, have been used in a variety of process chemistry and renewable energy applications. Imidazolium-based ILs effectively dissolve biomass and represent a remarkable platform for biomass pretreatment. Although efficient, imidazolium ...

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