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

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Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations [Chemistry]

26-Apr-2016 | Rongxing He; Lei Li; Jie Zhong; Chongqin Zhu; Joseph S. Francisco; Xiao Cheng Zeng, Proceedings of the National Academy of Sciences current issue, 2016

Solar emission produces copious nitrosonium ions (NO+) in the D layer of the ionosphere, 60 to 90 km above the Earth’s surface. NO+ is believed to transfer its charge to water clusters in that region, leading to the formation of gaseous nitrous acid (HONO) and protonated water cluster. The ...

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Cleavage and polyadenylation specificity factor 30: An RNA-binding zinc-finger protein with an unexpected 2Fe-2S cluster [Chemistry]

26-Apr-2016 | Geoffrey D. Shimberg; Jamie L. Michalek; Abdulafeez A. Oluyadi; Andria V. Rodrigues; Beth E. Zucconi; Heather M. Neu ..., Proceedings of the National Academy of Sciences current issue, 2016

Cleavage and polyadenylation specificity factor 30 (CPSF30) is a key protein involved in pre-mRNA processing. CPSF30 contains five Cys3His domains (annotated as “zinc-finger” domains). Using inductively coupled plasma mass spectrometry, X-ray absorption spectroscopy, and UV-visible spectroscopy, ...

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Dynamical network of residue-residue contacts reveals coupled allosteric effects in recognition, catalysis, and mutation [Chemistry]

26-Apr-2016 | Urmi Doshi; Michael J. Holliday; Elan Z. Eisenmesser; Donald Hamelberg, Proceedings of the National Academy of Sciences current issue, 2016

Detailed understanding of how conformational dynamics orchestrates function in allosteric regulation of recognition and catalysis remains ambiguous. Here, we simulate CypA using multiple-microsecond-long atomistic molecular dynamics in explicit solvent and carry out NMR experiments. We analyze a ...

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The hydrophobic effect, and fluctuations: The long and the short of it [Chemistry]

26-Apr-2016 | Erte Xi; Amish J. Patel, Proceedings of the National Academy of Sciences current issue, 2016

The hydrophobic effect, which is used to describe the aversion of oil for water or the affinity of oily objects for one another in water, plays an important role in diverse disciplines (1). For example, by segregating to the oil–water interface, amphiphilic molecules that possess both hydrophobic ...

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The quantum needle of the avian magnetic compass [Chemistry]

26-Apr-2016 | Hamish G. Hiscock; Susannah Worster; Daniel R. Kattnig; Charlotte Steers; Ye Jin; David E. Manolopoulos; Henrik Mour ..., Proceedings of the National Academy of Sciences current issue, 2016

Migratory birds have a light-dependent magnetic compass, the mechanism of which is thought to involve radical pairs formed photochemically in cryptochrome proteins in the retina. Theoretical descriptions of this compass have thus far been unable to account for the high precision with which birds ...

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Necessity of capillary modes in a minimal model of nanoscale hydrophobic solvation [Chemistry]

19-Apr-2016 | Suriyanarayanan Vaikuntanathan; Grant Rotskoff; Alexander Hudson; Phillip L. Geissler, Proceedings of the National Academy of Sciences current issue, 2016

Modern theories of the hydrophobic effect highlight its dependence on length scale, emphasizing the importance of interfaces in the vicinity of sizable hydrophobes. We recently showed that a faithful treatment of such nanoscale interfaces requires careful attention to the statistics of capillary ...

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Ancient lipids document continuity in the use of early hunter-gatherer pottery through 9,000 years of Japanese prehistory [Chemistry]

12-Apr-2016 | Alexandre Lucquin; Kevin Gibbs; Junzo Uchiyama; Hayley Saul; Mayumi Ajimoto; Yvette Eley; Anita Radini; Carl P. Hero ..., Proceedings of the National Academy of Sciences current issue, 2016

The earliest pots in the world are from East Asia and date to the Late Pleistocene. However, ceramic vessels were only produced in large numbers during the warmer and more stable climatic conditions of the Holocene. It has long been assumed that the expansion of pottery was linked with ...

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Engineering titania nanostructure to tune and improve its photocatalytic activity [Chemistry]

12-Apr-2016 | Matteo Cargnello; Tiziano Montini; Sergey Y. Smolin; Jacqueline B. Priebe; Juan J. Delgado Jaén; Vicky V. T. Doan-Ng ..., Proceedings of the National Academy of Sciences current issue, 2016

Photocatalytic pathways could prove crucial to the sustainable production of fuels and chemicals required for a carbon-neutral society. Electron−hole recombination is a critical problem that has, so far, limited the efficiency of the most promising photocatalytic materials. Here, we show the ...

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Engineering a long-acting, potent GLP-1 analog for microstructure-based transdermal delivery [Chemistry]

12-Apr-2016 | Peng-Yu Yang; Huafei Zou; Elizabeth Chao; Lance Sherwood; Vanessa Nunez; Michael Keeney; Esi Ghartey-Tagoe; Zhongli ..., Proceedings of the National Academy of Sciences current issue, 2016

Antidiabetic treatments aiming to reduce body weight are currently gaining increased interest. Exendin-4, a glucagon-like peptide-1 (GLP-1) receptor agonist administered twice daily via s.c. injection, improves glycemic control, often with associated weight reduction. To further improve the ...

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Unique coupling of mono- and dioxygenase chemistries in a single active site promotes heme degradation [Chemistry]

05-Apr-2016 | Toshitaka Matsui; Shusuke Nambu; Celia W. Goulding; Satoshi Takahashi; Hiroshi Fujii; Masao Ikeda-Saito, Proceedings of the National Academy of Sciences current issue, 2016

Bacterial pathogens must acquire host iron for survival and colonization. Because free iron is restricted in the host, numerous pathogens have evolved to overcome this limitation by using a family of monooxygenases that mediate the oxidative cleavage of heme into biliverdin, carbon monoxide, and ...

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