Quantum nuclear dynamics in the photophysics of diamondoids.

Abstract:

:The unusual electronic properties of diamondoids, the nanoscale relatives of diamond, make them attractive for applications ranging from drug delivery to field emission displays. Identifying the fundamental origin of these properties has proven highly challenging, with even the most advanced quantum many-body calculations unable to reproduce measurements of a quantity as ubiquitous as the optical gap. Here, by combining first-principles calculations and Importance Sampling Monte Carlo methods, we show that the quantum dynamics of carbon nuclei is key to understanding the electronic and optical properties of diamondoids. Quantum nuclear effects dramatically modify the absorption lineshapes and renormalize the optical gaps. These findings allow us to formulate a complete theory of optical absorption in diamondoids, and establish the universal role of quantum nuclear dynamics in nanodiamond across the length scales.

journal_name

Nat Commun

journal_title

Nature communications

authors

Patrick CE,Giustino F

doi

10.1038/ncomms3006

subject

Has Abstract

pub_date

2013-01-01 00:00:00

pages

2006

issn

2041-1723

pii

ncomms3006

journal_volume

4

pub_type

杂志文章
  • Molecular probes reveal deviations from Amontons' law in multi-asperity frictional contacts.

    abstract::Amontons' law defines the friction coefficient as the ratio between friction force and normal force, and assumes that both these forces depend linearly on the real contact area between the two sliding surfaces. However, experimental testing of frictional contact models has proven difficult, because few in situ experim...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-02981-y

    authors: Weber B,Suhina T,Junge T,Pastewka L,Brouwer AM,Bonn D

    更新日期:2018-03-01 00:00:00

  • Complement C1q-induced activation of β-catenin signalling causes hypertensive arterial remodelling.

    abstract::Hypertension induces structural remodelling of arteries, which leads to arteriosclerosis and end-organ damage. Hyperplasia of vascular smooth muscle cells (VSMCs) and infiltration of immune cells are the hallmark of hypertensive arterial remodelling. However, the precise molecular mechanisms of arterial remodelling re...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms7241

    authors: Sumida T,Naito AT,Nomura S,Nakagawa A,Higo T,Hashimoto A,Okada K,Sakai T,Ito M,Yamaguchi T,Oka T,Akazawa H,Lee JK,Minamino T,Offermanns S,Noda T,Botto M,Kobayashi Y,Morita H,Manabe I,Nagai T,Shiojima I,Komuro

    更新日期:2015-02-26 00:00:00

  • Nanoscale origins of creep in calcium silicate hydrates.

    abstract::The time-dependent response of structural materials dominates our aging infrastructure's life expectancy and has important resilience implications. For calcium-silicate-hydrates, the glue of cement, nanoscale mechanisms underlying time-dependent phenomena are complex and remain poorly understood. This complexity origi...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-04174-z

    authors: Morshedifard A,Masoumi S,Abdolhosseini Qomi MJ

    更新日期:2018-05-03 00:00:00

  • Activation of PKA via asymmetric allosteric coupling of structurally conserved cyclic nucleotide binding domains.

    abstract::Cyclic nucleotide-binding (CNB) domains allosterically regulate the activity of proteins with diverse functions, but the mechanisms that enable the cyclic nucleotide-binding signal to regulate distant domains are not well understood. Here we use optical tweezers and molecular dynamics to dissect changes in folding ene...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-019-11930-2

    authors: Hao Y,England JP,Bellucci L,Paci E,Hodges HC,Taylor SS,Maillard RA

    更新日期:2019-09-04 00:00:00

  • Long-range transport of airborne microbes over the global tropical and subtropical ocean.

    abstract::The atmosphere plays a fundamental role in the transport of microbes across the planet but it is often neglected as a microbial habitat. Although the ocean represents two thirds of the Earth's surface, there is little information on the atmospheric microbial load over the open ocean. Here we provide a global estimate ...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-017-00110-9

    authors: Mayol E,Arrieta JM,Jiménez MA,Martínez-Asensio A,Garcias-Bonet N,Dachs J,González-Gaya B,Royer SJ,Benítez-Barrios VM,Fraile-Nuez E,Duarte CM

    更新日期:2017-08-04 00:00:00

  • Endocrine disruptors induce perturbations in endoplasmic reticulum and mitochondria of human pluripotent stem cell derivatives.

    abstract::Persistent exposure to man-made endocrine disrupting chemicals during fetal endocrine development may lead to disruption of metabolic homeostasis contributing to childhood obesity. Limited cellular platforms exist to test endocrine disrupting chemical-induced developmental abnormalities in human endocrine tissues. Her...

    journal_title:Nature communications

    pub_type: 杂志文章,收录出版

    doi:10.1038/s41467-017-00254-8

    authors: Rajamani U,Gross AR,Ocampo C,Andres AM,Gottlieb RA,Sareen D

    更新日期:2017-08-09 00:00:00

  • Sensory overamplification in layer 5 auditory corticofugal projection neurons following cochlear nerve synaptic damage.

    abstract::Layer 5 (L5) cortical projection neurons innervate far-ranging brain areas to coordinate integrative sensory processing and adaptive behaviors. Here, we characterize a plasticity in L5 auditory cortex (ACtx) neurons that innervate the inferior colliculus (IC), thalamus, lateral amygdala and striatum. We track daily ch...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-04852-y

    authors: Asokan MM,Williamson RS,Hancock KE,Polley DB

    更新日期:2018-06-25 00:00:00

  • Backbone-independent NMR resonance assignments of methyl probes in large proteins.

    abstract::Methyl-specific isotope labeling is a powerful tool to study the structure, dynamics and interactions of large proteins and protein complexes by solution-state NMR. However, widespread applications of this methodology have been limited by challenges in obtaining confident resonance assignments. Here, we present Methyl...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-021-20984-0

    authors: Nerli S,De Paula VS,McShan AC,Sgourakis NG

    更新日期:2021-01-29 00:00:00

  • The fecal resistome of dairy cattle is associated with diet during nursing.

    abstract::Antimicrobial resistance is a global public health concern, and livestock play a significant role in selecting for resistance and maintaining such reservoirs. Here we study the succession of dairy cattle resistome during early life using metagenomic sequencing, as well as the relationship between resistome, gut microb...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-019-12111-x

    authors: Liu J,Taft DH,Maldonado-Gomez MX,Johnson D,Treiber ML,Lemay DG,DePeters EJ,Mills DA

    更新日期:2019-09-27 00:00:00

  • Publisher Correction: Unravelling the immune signature of Plasmodium falciparum transmission-reducing immunity.

    abstract::The original version of this Article contained errors in Fig. 3. In panel a, bars from a chart depicting the percentage of antibody-positive individuals in non-infectious and infectious groups were inadvertently included in place of bars depicting the percentage of infectious individuals, as described in the Article a...

    journal_title:Nature communications

    pub_type: 杂志文章,已发布勘误

    doi:10.1038/s41467-018-03769-w

    authors: Stone WJR,Campo JJ,Ouédraogo AL,Meerstein-Kessel L,Morlais I,Da D,Cohuet A,Nsango S,Sutherland CJ,van de Vegte-Bolmer M,Siebelink-Stoter R,van Gemert GJ,Graumans W,Lanke K,Shandling AD,Pablo JV,Teng AA,Jones S,de Jong

    更新日期:2018-04-11 00:00:00

  • Structural insights into chaperone addiction of toxin-antitoxin systems.

    abstract::SecB chaperones assist protein export by binding both unfolded proteins and the SecA motor. Certain SecB homologs can also control toxin-antitoxin (TA) systems known to modulate bacterial growth in response to stress. In such TA-chaperone (TAC) systems, SecB assists the folding and prevents degradation of the antitoxi...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-019-08747-4

    authors: Guillet V,Bordes P,Bon C,Marcoux J,Gervais V,Sala AJ,Dos Reis S,Slama N,Mares-Mejía I,Cirinesi AM,Maveyraud L,Genevaux P,Mourey L

    更新日期:2019-02-15 00:00:00

  • Theoretical description and experimental simulation of quantum entanglement near open time-like curves via pseudo-density operators.

    abstract::Closed timelike curves are striking predictions of general relativity allowing for time-travel. They are afflicted by notorious causality issues (e.g. grandfather's paradox). Quantum models where a qubit travels back in time solve these problems, at the cost of violating quantum theory's linearity-leading e.g. to univ...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-08100-1

    authors: Marletto C,Vedral V,Virzì S,Rebufello E,Avella A,Piacentini F,Gramegna M,Degiovanni IP,Genovese M

    更新日期:2019-01-14 00:00:00

  • Identification of myopia-associated WNT7B polymorphisms provides insights into the mechanism underlying the development of myopia.

    abstract::Myopia can cause severe visual impairment. Here, we report a two-stage genome-wide association study for three myopia-related traits in 9,804 Japanese individuals, which was extended with trans-ethnic replication in 2,674 Chinese and 2,690 Caucasian individuals. We identify WNT7B as a novel susceptibility gene for axi...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms7689

    authors: Miyake M,Yamashiro K,Tabara Y,Suda K,Morooka S,Nakanishi H,Khor CC,Chen P,Qiao F,Nakata I,Akagi-Kurashige Y,Gotoh N,Tsujikawa A,Meguro A,Kusuhara S,Polasek O,Hayward C,Wright AF,Campbell H,Richardson AJ,Schache M

    更新日期:2015-03-31 00:00:00

  • The Arabidopsis alkaline ceramidase TOD1 is a key turgor pressure regulator in plant cells.

    abstract::Turgor pressure plays pivotal roles in the growth and movement of walled cells that make up plants and fungi. However, the molecular mechanisms regulating turgor pressure and the coordination between turgor pressure and cell wall remodelling for cell growth remain poorly understood. Here, we report the characterizatio...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms7030

    authors: Chen LY,Shi DQ,Zhang WJ,Tang ZS,Liu J,Yang WC

    更新日期:2015-01-16 00:00:00

  • FGF signalling restricts haematopoietic stem cell specification via modulation of the BMP pathway.

    abstract::Haematopoietic stem cells (HSCs) are produced during embryogenesis from the floor of the dorsal aorta. The localization of HSCs is dependent on the presence of instructive signals on the ventral side of the vessel. The nature of the extrinsic molecular signals that control the aortic haematopoietic niche is currently ...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms6588

    authors: Pouget C,Peterkin T,Simões FC,Lee Y,Traver D,Patient R

    更新日期:2014-11-27 00:00:00

  • An artificial PPR scaffold for programmable RNA recognition.

    abstract::Pentatricopeptide repeat (PPR) proteins control diverse aspects of RNA metabolism in eukaryotic cells. Although recent computational and structural studies have provided insights into RNA recognition by PPR proteins, their highly insoluble nature and inconsistencies between predicted and observed modes of RNA binding ...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms6729

    authors: Coquille S,Filipovska A,Chia T,Rajappa L,Lingford JP,Razif MF,Thore S,Rackham O

    更新日期:2014-12-17 00:00:00

  • Epigenetic modulation of inflammation and synaptic plasticity promotes resilience against stress in mice.

    abstract::Major depressive disorder is associated with abnormalities in the brain and the immune system. Chronic stress in animals showed that epigenetic and inflammatory mechanisms play important roles in mediating resilience and susceptibility to depression. Here, through a high-throughput screening, we identify two phytochem...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-017-02794-5

    authors: Wang J,Hodes GE,Zhang H,Zhang S,Zhao W,Golden SA,Bi W,Menard C,Kana V,Leboeuf M,Xie M,Bregman D,Pfau ML,Flanigan ME,Esteban-Fernández A,Yemul S,Sharma A,Ho L,Dixon R,Merad M,Han MH,Russo SJ,Pasinetti GM

    更新日期:2018-02-02 00:00:00

  • Upper airway gene expression reveals suppressed immune responses to SARS-CoV-2 compared with other respiratory viruses.

    abstract::SARS-CoV-2 infection is characterized by peak viral load in the upper airway prior to or at the time of symptom onset, an unusual feature that has enabled widespread transmission of the virus and precipitated a global pandemic. How SARS-CoV-2 is able to achieve high titer in the absence of symptoms remains unclear. He...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-020-19587-y

    authors: Mick E,Kamm J,Pisco AO,Ratnasiri K,Babik JM,Castañeda G,DeRisi JL,Detweiler AM,Hao SL,Kangelaris KN,Kumar GR,Li LM,Mann SA,Neff N,Prasad PA,Serpa PH,Shah SJ,Spottiswoode N,Tan M,Calfee CS,Christenson SA,Kistler

    更新日期:2020-11-17 00:00:00

  • Clustering of arc volcanoes caused by temperature perturbations in the back-arc mantle.

    abstract::Clustering of arc volcanoes in subduction zones indicates along-arc variation in the physical condition of the underlying mantle where majority of arc magmas are generated. The sub-arc mantle is brought in from the back-arc largely by slab-driven mantle wedge flow. Dynamic processes in the back-arc, such as small-scal...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms15753

    authors: Lee C,Wada I

    更新日期:2017-06-29 00:00:00

  • DNA replication timing and higher-order nuclear organization determine single-nucleotide substitution patterns in cancer genomes.

    abstract::Single-nucleotide substitutions are a defining characteristic of cancer genomes. Many single-nucleotide substitutions in cancer genomes arise because of errors in DNA replication, which is spatio-temporally stratified. Here we propose that DNA replication patterns help shape the mutational landscapes of normal and can...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms2502

    authors: Liu L,De S,Michor F

    更新日期:2013-01-01 00:00:00

  • Single-cell mass cytometry and transcriptome profiling reveal the impact of graphene on human immune cells.

    abstract::Understanding the biomolecular interactions between graphene and human immune cells is a prerequisite for its utilization as a diagnostic or therapeutic tool. To characterize the complex interactions between graphene and immune cells, we propose an integrative analytical pipeline encompassing the evaluation of molecul...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-017-01015-3

    authors: Orecchioni M,Bedognetti D,Newman L,Fuoco C,Spada F,Hendrickx W,Marincola FM,Sgarrella F,Rodrigues AF,Ménard-Moyon C,Cesareni G,Kostarelos K,Bianco A,Delogu LG

    更新日期:2017-10-24 00:00:00

  • Tailoring the hydrophobicity of graphene for its use as nanopores for DNA translocation.

    abstract::Graphene nanopores are potential successors to biological and silicon-based nanopores. For sensing applications, it is however crucial to understand and block the strong nonspecific hydrophobic interactions between DNA and graphene. Here we demonstrate a novel scheme to prevent DNA-graphene interactions, based on a ta...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms3619

    authors: Schneider GF,Xu Q,Hage S,Luik S,Spoor JN,Malladi S,Zandbergen H,Dekker C

    更新日期:2013-01-01 00:00:00

  • Overcoming ultraviolet light instability of sensitized TiO₂ with meso-superstructured organometal tri-halide perovskite solar cells.

    abstract::The power conversion efficiency of hybrid solid-state solar cells has more than doubled from 7 to 15% over the past year. This is largely as a result of the incorporation of organometallic trihalide perovskite absorbers into these devices. But, as promising as this development is, long-term operational stability is ju...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms3885

    authors: Leijtens T,Eperon GE,Pathak S,Abate A,Lee MM,Snaith HJ

    更新日期:2013-01-01 00:00:00

  • A rapid cosmic-ray increase in BC 3372-3371 from ancient buried tree rings in China.

    abstract::Cosmic rays interact with the Earth's atmosphere to produce 14C, which can be absorbed by trees. Therefore, rapid increases of 14C in tree rings can be used to probe previous cosmic-ray events. By this method, three 14C rapidly increasing events have been found. Plausible causes of these events include large solar pro...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-017-01698-8

    authors: Wang FY,Yu H,Zou YC,Dai ZG,Cheng KS

    更新日期:2017-11-14 00:00:00

  • Surface cooling caused by rare but intense near-inertial wave induced mixing in the tropical Atlantic.

    abstract::The direct response of the tropical mixed layer to near-inertial waves (NIWs) has only rarely been observed. Here, we present upper-ocean turbulence data that provide evidence for a strongly elevated vertical diffusive heat flux across the base of the mixed layer in the presence of a NIW, thereby cooling the mixed lay...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-020-17601-x

    authors: Hummels R,Dengler M,Rath W,Foltz GR,Schütte F,Fischer T,Brandt P

    更新日期:2020-07-31 00:00:00

  • Electron aspirator using electron-electron scattering in nanoscale silicon.

    abstract::Current enhancement without increasing the input power is a critical issue to be pursued for electronic circuits. However, drivability of metal-oxide-semiconductor (MOS) transistors is limited by the source-injection current, and electrons that have passed through the source unavoidably waste their momentum to the pho...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-07278-8

    authors: Firdaus H,Watanabe T,Hori M,Moraru D,Takahashi Y,Fujiwara A,Ono Y

    更新日期:2018-12-17 00:00:00

  • Microbial genomic analysis reveals the essential role of inflammation in bacteria-induced colorectal cancer.

    abstract::Enterobacteria, especially Escherichia coli, are abundant in patients with inflammatory bowel disease or colorectal cancer (CRC). However, it is unclear whether cancer is promoted by inflammation-induced expansion of E. coli and/or changes in expression of specific microbial genes. Here we use longitudinal (2, 12 and ...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms5724

    authors: Arthur JC,Gharaibeh RZ,Mühlbauer M,Perez-Chanona E,Uronis JM,McCafferty J,Fodor AA,Jobin C

    更新日期:2014-09-03 00:00:00

  • Extreme multifunctional proteins identified from a human protein interaction network.

    abstract::Moonlighting proteins are a subclass of multifunctional proteins whose functions are unrelated. Although they may play important roles in cells, there has been no large-scale method to identify them, nor any effort to characterize them as a group. Here, we propose the first method for the identification of 'extreme mu...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/ncomms8412

    authors: Chapple CE,Robisson B,Spinelli L,Guien C,Becker E,Brun C

    更新日期:2015-06-09 00:00:00

  • Microglial dopamine receptor elimination defines sex-specific nucleus accumbens development and social behavior in adolescent rats.

    abstract::Adolescence is a developmental period in which the mesolimbic dopaminergic "reward" circuitry of the brain, including the nucleus accumbens (NAc), undergoes significant plasticity. Dopamine D1 receptors (D1rs) in the NAc are critical for social behavior, but how these receptors are regulated during adolescence is not ...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-06118-z

    authors: Kopec AM,Smith CJ,Ayre NR,Sweat SC,Bilbo SD

    更新日期:2018-09-25 00:00:00

  • Distinct homeostatic modulations stabilize reduced postsynaptic receptivity in response to presynaptic DLK signaling.

    abstract::Synapses are constructed with the stability to last a lifetime, yet sufficiently flexible to adapt during injury. Although fundamental pathways that mediate intrinsic responses to neuronal injury have been defined, less is known about how synaptic partners adapt. We have investigated responses in the postsynaptic cell...

    journal_title:Nature communications

    pub_type: 杂志文章

    doi:10.1038/s41467-018-04270-0

    authors: Goel P,Dickman D

    更新日期:2018-05-10 00:00:00