Abstract：
:In the present work, we introduce two new metrics i.e. hydrogen-bond strength and charge-transfer between the donor/acceptor water molecules as a measure of hydrogen-bond rearrangement dynamics. Further, we also employ a simple model based on energy flux through the donor-acceptor water pairs to quantify the extent of the local hydrogen-bond network reorganization. Most importantly, we report a linear relationship between the OH stretch frequency and the charge and energy transfer through donor-acceptor water pairs. We demonstrate that the vibrational frequency fluctuations, which are used to determine third-order non-linear spectroscopic observables like the short-time slope of three pulse photon echo, can be used as an analog of the fluctuations in the hydrogen-bond strength and charge-transfer. The timescales obtained from our hydrogen-bond strength correlation and charge-transfer correlation decay are in excellent agreement with the computed frequency-time correlation function, as well as with recent vibrational echo experiments.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Ojha D,Karhan K,Kühne TDdoi
10.1038/s41598-018-35357-9subject
Has Abstractpub_date
2018-11-15 00:00:00pages
16888issue
1issn
2045-2322pii
10.1038/s41598-018-35357-9journal_volume
8pub_type
杂志文章abstract：:A relation exists between network proximity of molecular entities in interaction networks, functional similarity and association with diseases. The identification of network regions associated with biological functions and pathologies is a major goal in systems biology. We describe a network diffusion-based pipeline f...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep34841
更新日期：2016-10-12 00:00:00
abstract：:Plate subduction continuously transports crustal materials with high-δ(18)O values down to the mantle wedge, where mantle peridotites are expected to achieve the high-δ(18)O features. Elevated δ(18)O values relative to the upper mantle value have been reported for magmas from some subduction zones. However, peridotite...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep04232
更新日期：2014-02-28 00:00:00
abstract：:Various sea foods including fish, shellfish and shrimp were collected from different coastal areas of Fujian in China, and their Pb species characteristics were investigated in detail. The results indicated that there are two different species characteristics of Pb existing in sea food samples. About half of samples w...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep33294
更新日期：2016-09-14 00:00:00
abstract：:Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage in...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep25499
更新日期：2016-05-05 00:00:00
abstract：:The fundamental mechanism how heterogeneous hepatic macrophage (Mφ) subsets fulfill diverse functions in health and disease has not been elucidated. We recently reported that CCR9+ inflammatory Mφs play a critical role in the course of acute liver injury. To clarify the origin and differentiation of CCR9+Mφs, we used ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep35146
更新日期：2016-10-11 00:00:00
abstract：:Covalent functionalisation of graphene is a continuously progressing field of research. The optical properties of such derivatives attract particular attention. In virtually all optical responses, however, an enhancement in peak intensity with increase of sp3 carbon content, and a vanishing of the peak position shift ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep45165
更新日期：2017-03-27 00:00:00
abstract：:Some studies have reported that upper limb tightness is a risk factor for shoulder/elbow pain in high school baseball pitchers; but there has been insufficient research on the relationship between lower limb tightness and shoulder and elbow pain in pitchers. This study aimed to clarify the correlation among pre-season...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-76894-6
更新日期：2020-11-17 00:00:00
abstract：:LiYF4:Eu nanophosphors with a single tetragonal phase are synthesized, and various strategies to enhance the Eu(3+) emission from the nanophosphors are investigated. The optimized Eu(3+) concentration is 35 mol%, and the red emission peaks due to the (5)D0 →(7)FJ (J = 1 and 2) transitions of Eu(3+) ions are further en...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep07866
更新日期：2015-01-19 00:00:00
abstract：:Indium tin oxide (ITO) is one of the most widely used transparent conductors in optoelectronic device applications. We investigated the optical properties of ITO thin films at high temperatures up to 800 °C using spectroscopic ellipsometry. As temperature increases, amorphous ITO thin films undergo a phase transition ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-69463-4
更新日期：2020-07-27 00:00:00
abstract：:Charge density wave (CDW), the periodic modulation of the electronic charge density, will open a gap on the Fermi surface that commonly leads to decreased or vanishing conductivity. On the other hand superconductivity, a commonly believed competing order, features a Fermi surface gap that results in infinite conductiv...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep26974
更新日期：2016-06-02 00:00:00
abstract：:Soil water retention curve (SWRC) plays an important role in simulating soil water movement and assessing soil water holding capacity and availability. Comparison of fitness between different models to determine the best SWRC model of specific regions is required. In this study, three popular models, van Genuchten, Br...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-54449-8
更新日期：2019-12-05 00:00:00
abstract：:The healthy adult heart primarily relies on fatty acid oxidation (FAO) for energy production but instantaneously adapts its substrate preference in response to physiological or pathological challenges. Accurate FAO measurements are crucial to investigate early metabolic (mal)adaptations. While measurements in intact c...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-19478-9
更新日期：2018-01-24 00:00:00
abstract：:The cell adhesion molecule Cadherin 2 (Cdh2) plays important roles in somatic cell adhesion, proliferation and migration. Cdh2 is also highly expressed in mouse epiblast stem cells (mEpiSCs), but its function in these cells is unknown. To understand the function of Cdh2 in mEpiSCs, we compared the expression of plurip...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep14722
更新日期：2015-09-30 00:00:00
abstract：:CEST-MRI of the rNOE signal has been demonstrated in vitro to be closely linked to the protein conformational state. As the detectability of denaturation and aggregation processes on a physiologically relevant scale in living organisms has yet to be verified, the aim of this study was to perform heat-shock experiments...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-68022-1
更新日期：2020-07-06 00:00:00
abstract：:Gut microbiota acts as a barrier against intestinal pathogens, but species-specific protection of the host from infection remains relatively unexplored. Although lactobacilli and bifidobacteria produce beneficial lactic and short-chain fatty acids in the mammalian gut, the significance of intestinal Escherichia coli p...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-51058-3
更新日期：2019-10-08 00:00:00
abstract：:We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states, i.e., corner-localized states of electron pairs or clusters shifted to energies th...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep40197
更新日期：2017-01-10 00:00:00
abstract：:In humans, the H+-coupled Fe2+ transporter DMT1 (SLC11A2) is essential for proper maintenance of iron homeostasis. While X-ray diffraction has recently unveiled the structure of the bacterial homologue ScaDMT as a LeuT-fold transporter, the exact mechanism of H+-cotransport has remained elusive. Here, we used a combin...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-06446-y
更新日期：2017-07-28 00:00:00
abstract：:The work describes the development of a flexible, hydrogel embedded pH-sensor that can be integrated in inexpensive wearable and non-invasive devices at epidermal level for electrochemical quantification of H+ ions in sweat. Such a device can be useful for swift, real time diagnosis and for monitoring specific conditi...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-45399-2
更新日期：2019-06-20 00:00:00
abstract：:New urease and nitrification inhibitors and polymer coatings were introduced in recent years, but their effects on N loss and plant N nutrition were scarcely examined in agronomic no-tillage production systems. A field experiment of urea treated with efficiency enhancers was conducted on no-tillage corn (Zea mays L.) ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-42912-5
更新日期：2019-04-29 00:00:00
abstract：:We investigated clinical associations of ficolins and mannose-binding lectin (MBL) in 157 patients suffering from acute myeloid leukaemia (AML). Concentrations of ficolin-1, ficolin-2, ficolin-3 and MBL (before chemotherapy) in serum were determined as were selected polymorphisms of the corresponding genes (FCN1, FCN2...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-67516-2
更新日期：2020-06-29 00:00:00
abstract：:Artificial photosynthesis, specifically H2O dissociation for CO2 reduction with solar energy, is regarded as one of the most promising methods for sustainable energy and utilisation of environmental resources. However, a highly efficient conversion still remains extremely challenging. The hydrogenation of CO2 is regar...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep04503
更新日期：2014-03-28 00:00:00
abstract：:Although the power conversion efficiency (PCE) of perovskite solar cells (PSCs) reached up to 23%, their short lifetime and fast degradation still remain as the main challenges. In this work, a new facile optical method based on the high power UV-irradiation is presented for the recovery of the degraded PSCs. Addition...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-45756-1
更新日期：2019-07-01 00:00:00
abstract：:Despite the intuitive connection between drought and mortality, we still lack a sound quantitative synthesis of evidence drawn from the available data. In this study, we estimate the pooled under-five death rates (U5DR) and assess the effect of drought on child death in Ethiopia. Small-scale mortality surveys were sea...
journal_title：Scientific reports
pub_type： 杂志文章,meta分析
doi：10.1038/s41598-017-02271-5
更新日期：2017-05-19 00:00:00
abstract：:Voltage-gated sodium channels (VGSCs) play a vital role in controlling neuronal excitability. Nav1.6 is the most abundantly expressed VGSCs subtype in the adult central nervous system and has been found to contribute to facilitate the hyperexcitability of neurons after electrical induction of status epilepticus (SE). ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep38108
更新日期：2016-12-01 00:00:00
abstract：:Accurate intraocular lens (IOL) power calculation is always a challenge in ophthalmology, and unoptimized process may lead to inaccurate refractive outcomes. Quality control circle (QCC) has shown its success in many fields as a process management tool. However, its efficacy in ophthalmology remains unclear. Here we u...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-14171-9
更新日期：2017-11-01 00:00:00
abstract：:Macrophages and resident microglia play an import role in the secondary neuroinflammation response following spinal cord injury. Reprogramming of macrophage/microglia polarization is an import strategy for spinal cord injury restoration. Low-level laser therapy (LLLT) is a noninvasive treatment that has been widely us...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-00553-6
更新日期：2017-04-04 00:00:00
abstract：:We study the tight-binding model for a graphene tube with perimeter N threaded by a magnetic field. We show exactly that this model has different nontrivial topological phases as the flux changes. The winding number, as an indicator of topological quantum phase transition (QPT) fixes at N/3 if N/3 equals to its intege...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep31953
更新日期：2016-08-24 00:00:00
abstract：:Bacterial communities from freshwater lakes are shaped by various factors such as nutrients, pH value, temperature, etc. Their compositions and relative abundances would undergo changes to adapt the changing environments, and in turn could affect the environments of freshwater lakes. Analyses of the freshwater lake's ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep30616
更新日期：2016-07-27 00:00:00
abstract：:Clinical practice guides recommend delayed clamping of the umbilical cord. If this is not possible, some authors suggest milking as an alternative. The objective of this study was to determine the variability in professional practice in the management of umbilical cord clamping and milking and to identify factors or c...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-58641-z
更新日期：2020-02-03 00:00:00
abstract：:The coherent state preparation and control of single quantum systems is an important prerequisite for the implementation of functional quantum devices. Prominent examples for such systems are semiconductor quantum dots, which exhibit a fine structure split single exciton state and a V-type three level structure, given...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep10313
更新日期：2015-05-22 00:00:00
