Li-decorated metal-organic framework 5: a route to achieving a suitable hydrogen storage medium.

Abstract:

:A significant improvement in molecular hydrogen uptake properties is revealed by our ab initio calculations for Li-decorated metal-organic framework 5. We have found that two Li atoms are strongly adsorbed on the surfaces of the six-carbon rings, one on each side, carrying a charge of +0.9e per Li atom. Each Li can cluster three H(2) molecules around itself with a binding energy of 12 kJ (mol H(2))(-1). Furthermore, we show from ab initio molecular dynamics simulations with a hydrogen loading of 18 H(2) per formula unit that a hydrogen uptake of 2.9 wt % at 200 K and 2.0 wt % at 300 K is achievable. To our knowledge, this is the highest hydrogen storage capacity reported for metal-organic framework 5 under such thermodynamic conditions.

authors

Blomqvist A,Araújo CM,Srepusharawoot P,Ahuja R

doi

10.1073/pnas.0708603104

subject

Has Abstract

pub_date

2007-12-18 00:00:00

pages

20173-6

issue

51

eissn

0027-8424

issn

1091-6490

pii

0708603104

journal_volume

104

pub_type

杂志文章
  • Induction of multiple signaling loops by MuSK during neuromuscular synapse formation.

    abstract::At the neuromuscular junction, two motor neuron-derived signals have been implicated in the regulation of synaptogenesis. Neuregulin-1 is thought to induce transcription of acetylcholine receptor (AChR) genes in subsynaptic muscle nuclei by activating ErbB receptors. Neural agrin aggregates AChRs by activating the rec...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.251291598

    authors: Moore C,Leu M,Müller U,Brenner HR

    更新日期:2001-12-04 00:00:00

  • Local adaptation in Trinidadian guppies alters ecosystem processes.

    abstract::Theory suggests evolutionary change can significantly influence and act in tandem with ecological forces via ecological-evolutionary feedbacks. This theory assumes that significant evolutionary change occurs over ecologically relevant timescales and that phenotypes have differential effects on the environment. Here we...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0908023107

    authors: Bassar RD,Marshall MC,López-Sepulcre A,Zandonà E,Auer SK,Travis J,Pringle CM,Flecker AS,Thomas SA,Fraser DF,Reznick DN

    更新日期:2010-02-23 00:00:00

  • The kinesin-1 motor protein is regulated by a direct interaction of its head and tail.

    abstract::Kinesin-1 is a molecular motor protein that transports cargo along microtubules. Inside cells, the vast majority of kinesin-1 is regulated to conserve ATP and to ensure its proper intracellular distribution and coordination with other molecular motors. Regulated kinesin-1 folds in half at a hinge in its coiled-coil st...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0803575105

    authors: Dietrich KA,Sindelar CV,Brewer PD,Downing KH,Cremo CR,Rice SE

    更新日期:2008-07-01 00:00:00

  • Three types of gap junctions interconnecting intestinal epithelial cells visualized by freeze-etching.

    abstract::Gap junctions are specialized membrane regions that seem to mediate intercellular communication. They appear to contain closely packed arrays of equally sized particles all of which, upon freeze-cleaving, remain attached to one membrane leaflet and not to the other. One gap junction cleavage face, therefore, always ex...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.69.5.1318

    authors: Staehelin LA

    更新日期:1972-05-01 00:00:00

  • Spontaneous self-assembly and structure of perfluoroalkylalkane surfactant hemimicelles by molecular dynamics simulations.

    abstract::Fully atomistic molecular-dynamics (MD) simulations of perfluoroalkylalkane molecules at the surface of water show the spontaneous formation of aggregates whose size and topography closely resemble the experimentally observed hemimicelles for this system. Furthermore, the grazing incidence X-ray diffraction (GIXD) pat...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1906782116

    authors: Silva GMC,Morgado P,Lourenço P,Goldmann M,Filipe EJM

    更新日期:2019-07-23 00:00:00

  • Mutational analysis of the structural organization of polyglutamine aggregates.

    abstract::The formation of amyloid-like aggregates by expanded polyglutamine (polyGln) sequences is suspected to play a critical role in the neuropathology of Huntington's disease and other expanded CAG-repeat diseases. To probe the folding of the polyGln sequence in the aggregate, we replaced Gln-Gln pairs at different sequenc...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.252523899

    authors: Thakur AK,Wetzel R

    更新日期:2002-12-24 00:00:00

  • Dissection of the role of MHC class II A and E genes in autoimmune susceptibility in murine lupus models with intragenic recombination.

    abstract::Systemic lupus erythematosus (SLE) is a multigenic autoimmune disease, and the major histocompatibility complex (MHC) class II polymorphism serves as a key genetic element. In SLE-prone (NZB x NZW)F(1) mice, the MHC H-2(d/z) heterozygosity (H-2(d) of NZB and H-2(z) of NZW) has a strong impact on disease; thus, congeni...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0405807101

    authors: Zhang D,Fujio K,Jiang Y,Zhao J,Tada N,Sudo K,Tsurui H,Nakamura K,Yamamoto K,Nishimura H,Shira T,Hirose S

    更新日期:2004-09-21 00:00:00

  • The Avellino 3780-yr-B.P. catastrophe as a worst-case scenario for a future eruption at Vesuvius.

    abstract::A volcanic catastrophe even more devastating than the famous anno Domini 79 Pompeii eruption occurred during the Old Bronze Age at Vesuvius. The 3780-yr-B.P. Avellino plinian eruption produced an early violent pumice fallout and a late pyroclastic surge sequence that covered the volcano surroundings as far as 25 km aw...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0508697103

    authors: Mastrolorenzo G,Petrone P,Pappalardo L,Sheridan MF

    更新日期:2006-03-21 00:00:00

  • HDAC3-selective inhibitor enhances extinction of cocaine-seeking behavior in a persistent manner.

    abstract::Nonspecific histone deacetylase (HDAC) inhibition has been shown to facilitate the extinction of drug-seeking behavior in a manner resistant to reinstatement. A key open question is which specific HDAC is involved in the extinction of drug-seeking behavior. Using the selective HDAC3 inhibitor RGFP966, we investigated ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1213364110

    authors: Malvaez M,McQuown SC,Rogge GA,Astarabadi M,Jacques V,Carreiro S,Rusche JR,Wood MA

    更新日期:2013-02-12 00:00:00

  • Tumor marker-responsive behavior of gels prepared by biomolecular imprinting.

    abstract::We report dynamic glycoprotein recognition of gels prepared by biomolecular imprinting using lectin and antibody molecules as ligands for tumor-specific marker glycoproteins. The glycoprotein-imprinted gels prepared with minute amounts of cross-linkers could dynamically recognize tumor-specific marker glycoproteins by...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0506786103

    authors: Miyata T,Jige M,Nakaminami T,Uragami T

    更新日期:2006-01-31 00:00:00

  • Crystal structure of lipid phosphatase Escherichia coli phosphatidylglycerophosphate phosphatase B.

    abstract::Membrane-integrated type II phosphatidic acid phosphatases (PAP2s) are important for numerous bacterial to human biological processes, including glucose transport, lipid metabolism, and signaling. Escherichia coli phosphatidylglycerol-phosphate phosphatase B (ecPgpB) catalyzes removing the terminal phosphate group fro...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1403097111

    authors: Fan J,Jiang D,Zhao Y,Liu J,Zhang XC

    更新日期:2014-05-27 00:00:00

  • Estradiol modulates the efficacy of synaptic inhibition by decreasing the dwell time of GABAA receptors at inhibitory synapses.

    abstract::Estrogen plays a critical role in many physiological processes and exerts profound effects on behavior by regulating neuronal excitability. While estrogen has been established to exert effects on dendritic morphology and excitatory neurotransmission its role in regulating neuronal inhibition is poorly understood. Fast...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1705075114

    authors: Mukherjee J,Cardarelli RA,Cantaut-Belarif Y,Deeb TZ,Srivastava DP,Tyagarajan SK,Pangalos MN,Triller A,Maguire J,Brandon NJ,Moss SJ

    更新日期:2017-10-31 00:00:00

  • Heterogeneity of human high density lipoprotein: presence of lipoproteins with and without apoE and their roles as substrates for lecithin:cholesterol acyltransferase reaction.

    abstract::By affinity chromatography on heparin-Sepharose, two classes of lipoproteins were separated from high density lipoproteins (HDL) isolated from patients with primary or secondary lecithin:cholesterol acyltransferase (LCATase; EC 2.3.1.43) deficiency and from normal subjects. The unretained fraction, HDL(A), was charact...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.77.5.2969

    authors: Marcel YL,Vezina C,Emond D,Suzue G

    更新日期:1980-05-01 00:00:00

  • Hemorrhage in lesions caused by cowpox virus is induced by a viral protein that is related to plasma protein inhibitors of serine proteases.

    abstract::Several recombinant cowpox viruses were constructed and used to identify a viral gene that controls the production of hemorrhage in lesions caused by the Brighton Red strain of cowpox virus (CPV-BR). This gene is located in the KpnD fragment of CPV-BR DNA, between 31 and 32 kilobases from the end of the genome. This p...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.83.20.7698

    authors: Pickup DJ,Ink BS,Hu W,Ray CA,Joklik WK

    更新日期:1986-10-01 00:00:00

  • Insulin activates a 70-kDa S6 kinase through serine/threonine-specific phosphorylation of the enzyme polypeptide.

    abstract::The dominant insulin-stimulated ribosomal protein S6 kinase activity was purified to near homogeneity from insulin-treated 32P-labeled rat H4 hepatoma cells and found to copurify with a 70-kDa 32P-labeled polypeptide. The dominant S6 kinase purified from livers of cycloheximide-treated rats is also a 70-kDa polypeptid...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.87.20.7944

    authors: Price DJ,Gunsalus JR,Avruch J

    更新日期:1990-10-01 00:00:00

  • The Dun1 checkpoint kinase phosphorylates and regulates the ribonucleotide reductase inhibitor Sml1.

    abstract::Cell cycle checkpoints are evolutionarily conserved surveillance systems that protect genomic stability and prevent oncogenesis in mammals. One important target of checkpoint control is ribonucleotide reductase (RNR), which catalyzes the rate-limiting step in dNTP and DNA synthesis. In both yeast and humans, RNR is tr...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.062502299

    authors: Zhao X,Rothstein R

    更新日期:2002-03-19 00:00:00

  • Mutation rate is linked to diversification in birds.

    abstract::How does genome evolution affect the rate of diversification of biological lineages? Recent studies have suggested that the overall rate of genome evolution is correlated with the rate of diversification. If true, this claim has important consequences for understanding the process of diversification, and implications ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1007888107

    authors: Lanfear R,Ho SY,Love D,Bromham L

    更新日期:2010-11-23 00:00:00

  • Diverse roles of the tumor necrosis factor family member TRANCE in skeletal physiology revealed by TRANCE deficiency and partial rescue by a lymphocyte-expressed TRANCE transgene.

    abstract::Tumor necrosis factor-related, activation-induced cytokine (TRANCE), a tumor necrosis factor family member, mediates survival of dendritic cells in the immune system and is required for osteoclast differentiation and activation in the skeleton. We report the skeletal phenotype of TRANCE-deficient mice and its rescue b...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.200294797

    authors: Kim N,Odgren PR,Kim DK,Marks SC Jr,Choi Y

    更新日期:2000-09-26 00:00:00

  • CACNA1S haploinsufficiency confers resistance to New World arenavirus infection.

    abstract::Understanding the genetics of susceptibility to infectious agents is of great importance to our ability to combat disease. Here, we show that voltage-gated calcium channels (VGCCs) are critical for cellular binding and entry of the New World arenaviruses Junín and Tacaribe virus, suggesting that zoonosis via these rec...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1920551117

    authors: Sarute N,Ross SR

    更新日期:2020-08-11 00:00:00

  • Phylogenetic profiles reveal evolutionary relationships within the "twilight zone" of sequence similarity.

    abstract::Inferring evolutionary relationships among highly divergent protein sequences is a daunting task. In particular, when pairwise sequence alignments between protein sequences fall <25% identity, the phylogenetic relationships among sequences cannot be estimated with statistical certainty. Here, we show that phylogenetic...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0803860105

    authors: Chang GS,Hong Y,Ko KD,Bhardwaj G,Holmes EC,Patterson RL,van Rossum DB

    更新日期:2008-09-09 00:00:00

  • Epidermal growth factor receptor activation induces nuclear targeting of cyclooxygenase-2, basolateral release of prostaglandins, and mitogenesis in polarizing colon cancer cells.

    abstract::Nonsteroidal antiinflammatory drugs reduce the risk of colon cancer, possibly via cyclooxygenase (COX) inhibition. The growth factor-inducible COX-2, which is overexpressed in neoplastic colonic tissue, is an attractive target to mediate this effect. Herein we have exploited the ability of a human colon cancer cell li...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.94.2.657

    authors: Coffey RJ,Hawkey CJ,Damstrup L,Graves-Deal R,Daniel VC,Dempsey PJ,Chinery R,Kirkland SC,DuBois RN,Jetton TL,Morrow JD

    更新日期:1997-01-21 00:00:00

  • An auxin-driven polarized transport model for phyllotaxis.

    abstract::Recent studies show that plant organ positioning may be mediated by localized concentrations of the plant hormone auxin. Auxin patterning in the shoot apical meristem is in turn brought about by the subcellular polar distribution of the putative auxin efflux mediator, PIN1. However, the question of what signals determ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0509839103

    authors: Jönsson H,Heisler MG,Shapiro BE,Meyerowitz EM,Mjolsness E

    更新日期:2006-01-31 00:00:00

  • Rapid landscape transformation in South Island, New Zealand, following initial Polynesian settlement.

    abstract::Humans have altered natural patterns of fire for millennia, but the impact of human-set fires is thought to have been slight in wet closed-canopy forests. In the South Island of New Zealand, Polynesians (Māori), who arrived 700-800 calibrated years (cal y) ago, and then Europeans, who settled ∼150 cal y ago, used fire...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 历史文章,杂志文章

    doi:10.1073/pnas.1011801107

    authors: McWethy DB,Whitlock C,Wilmshurst JM,McGlone MS,Fromont M,Li X,Dieffenbacher-Krall A,Hobbs WO,Fritz SC,Cook ER

    更新日期:2010-12-14 00:00:00

  • Metastable photoproducts from carbon monoxide myoglobin.

    abstract::The photoproduct of carbon monoxide myoglobin generated at 4 K and lower has a resonance Raman spectrum characteristic of a high-spin heme but in which the high-frequency core size-sensitive lines are at lower frequency than those in the deoxy preparation. Such differences are not detected in the photoproduct generate...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.83.5.1310

    authors: Rousseau DL,Argade PV

    更新日期:1986-03-01 00:00:00

  • Specificity landscapes unmask submaximal binding site preferences of transcription factors.

    abstract::We have developed Differential Specificity and Energy Landscape (DiSEL) analysis to comprehensively compare DNA-protein interactomes (DPIs) obtained by high-throughput experimental platforms and cutting edge computational methods. While high-affinity DNA binding sites are identified by most methods, DiSEL uncovered nu...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1811431115

    authors: Bhimsaria D,Rodríguez-Martínez JA,Pan J,Roston D,Korkmaz EN,Cui Q,Ramanathan P,Ansari AZ

    更新日期:2018-11-06 00:00:00

  • Diurnal down-regulation of ethylene biosynthesis mediates biomass heterosis.

    abstract::Heterosis is widely applied in agriculture; however, the underlying molecular mechanisms for superior performance are not well understood. Ethylene biosynthesis and signaling genes are shown to be down-regulated in Arabidopsis interspecific hybrids. Ethylene is a plant hormone that promotes fruit ripening and maturati...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1722068115

    authors: Song Q,Ando A,Xu D,Fang L,Zhang T,Huq E,Qiao H,Deng XW,Chen ZJ

    更新日期:2018-05-22 00:00:00

  • Evidence for a chimeric nature of nuclear genomes: eubacterial origin of eukaryotic glyceraldehyde-3-phosphate dehydrogenase genes.

    abstract::Higher plants process two distinct, nuclear gene-encoded glyceraldehyde-3-phosphate dehydrogenase (GAPDH) proteins, a Calvin-cycle enzyme active within chloroplasts and a glycolytic enzyme active within the cytosol. The gene for the chloroplast enzyme was previously suggested to be of endosymbiotic origin. Since the a...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.90.18.8692

    authors: Martin W,Brinkmann H,Savonna C,Cerff R

    更新日期:1993-09-15 00:00:00

  • Interaction of the Wiskott-Aldrich syndrome protein with sorting nexin 9 is required for CD28 endocytosis and cosignaling in T cells.

    abstract::The Wiskott-Aldrich syndrome protein (WASp) plays a major role in coupling T cell antigen receptor (TCR) stimulation to induction of actin cytoskeletal changes required for T cell activation. Here, we report that WASp inducibly binds the sorting nexin 9 (SNX9) in T cells and that WASp, SNX9, p85, and CD28 colocalize w...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0610543104

    authors: Badour K,McGavin MK,Zhang J,Freeman S,Vieira C,Filipp D,Julius M,Mills GB,Siminovitch KA

    更新日期:2007-01-30 00:00:00

  • Terahertz radiation from bacteriorhodopsin reveals correlated primary electron and proton transfer processes.

    abstract::The kinetics of electrogenic events associated with the different steps of the light-induced proton pump of bacteriorhodopsin is well studied in a wide range of time scales by direct electric methods. However, the investigation of the fundamental primary charge translocation phenomena taking place in the functional en...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0706336105

    authors: Groma GI,Hebling J,Kozma IZ,Váró G,Hauer J,Kuhl J,Riedle E

    更新日期:2008-05-13 00:00:00

  • Mammalian Pumilio 2 regulates dendrite morphogenesis and synaptic function.

    abstract::In Drosophila, Pumilio (Pum) is important for neuronal homeostasis as well as learning and memory. We have recently characterized a mammalian homolog of Pum, Pum2, which is found in discrete RNA-containing particles in the somatodendritic compartment of polarized neurons. In this study, we investigated the role of Pum...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0907128107

    authors: Vessey JP,Schoderboeck L,Gingl E,Luzi E,Riefler J,Di Leva F,Karra D,Thomas S,Kiebler MA,Macchi P

    更新日期:2010-02-16 00:00:00