Abstract:
:Transition metals (TMs) implanted in oxides with rock-salt crystal structures (for example MgO and BaO) are assumed to substitute cations (Mg in case of MgO) from the lattice sites. We show that not all implanted TMs substitute cations but can be stable in interstitial sites as well. Stability of TM (Sc-Zn) dopants in various charge states in MgO and BaO has been investigated in the framework of density functional theory. We propose an effective way to calculate stability of implanted metals that let us predict site preference (interstitial or substitution) of the dopant in the host. We find that two factors govern the preference for an interstitial site: (i) relative ionic radius and (ii) relative oxygen affinity of cation and the TM dopants. If the radius of the cation is much larger than TM dopant, as in BaO, TM atoms always sit at interstitial sites. On the other hand, if the radius of the cation is comparable to that of the dopant TM, as in case of MgO, the transition of the preferred defect site, from substituting lattice Mg atom (Sc to Mn) to occupying interstitial site (Fe to Zn) is observed. This transition can be attributed to the change in the oxygen affinity of the TM atoms from Sc to Zn. Our results also explain experiments on Ni and Fe atoms implanted in MgO. TM dopants at interstitial sites could show substantially different and new properties from substitutionally doped stable compounds.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Misra D,Yadav SKdoi
10.1038/s41598-019-49011-5subject
Has Abstractpub_date
2019-08-29 00:00:00pages
12593issue
1issn
2045-2322pii
10.1038/s41598-019-49011-5journal_volume
9pub_type
杂志文章abstract::A green, facile and tunable pair electrochemical process was developed for the synthesis of new benzenesulfonamide derivatives by using reductive controlled potential electrolysis of dinitrobenzene (DNB) in the presence of arylsulfinic acids (ASAs). In addition to the usual features associated with paired electrochemi...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-38544-4
更新日期:2019-03-14 00:00:00
abstract::Mercury pollution in soil poses serious risks to human health through consumption of contaminated vegetables. We used a meta-analysis to examine the mercury enrichment ability of different vegetables and the main factors affecting mercury uptake. We drew the following conclusions. (1) Plants with a lower bioconcentrat...
journal_title:Scientific reports
pub_type: 杂志文章,meta分析
doi:10.1038/s41598-018-19519-3
更新日期:2018-01-19 00:00:00
abstract::Betel quid is one of the most widely used psychoactive substances, and is consumed by approximately 10% of the world's population. In addition to its carcinogenicity, betel quid has also been reported to affect many organs, including the brain, heart, lungs, gastrointestinal tract, and reproductive organs. As betel qu...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-49815-5
更新日期:2019-10-10 00:00:00
abstract::One of the causal genes for holoprosencephaly (HPE) is ZIC2 (HPE5). It belongs to the zinc finger protein of the cerebellum (Zic) family of genes that share a C2H2-type zinc finger domain, similar to the GLI family of genes. In order to clarify the role of Zic2 in gene regulation, we searched for its direct target gen...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-20242-2
更新日期:2018-02-01 00:00:00
abstract::In 2013, U.S. swine producers were confronted with the disruptive emergence of porcine epidemic diarrhoea (PED). Movement of animals among farms is hypothesised to have played a role in the spread of PED among farms. Via this or other mechanisms, the rate of spread may also depend on the geographic density of farms an...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep22248
更新日期:2016-03-07 00:00:00
abstract::Horizontal gene transfer (HGT) is a main mechanism of bacterial evolution endowing bacteria with new genetic traits. The transfer of mobile genetic elements such as plasmids (conjugation) requires the close proximity of cells. HGT between genetically distinct bacteria largely depends on cell movement in water films, w...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep36390
更新日期:2016-11-04 00:00:00
abstract::Microfluidic channels have been implemented to detect cancer cells from blood using electrical measurement of each single cell from the sample. Every cell provided characteristic current profile based on its mechano-physical properties. Cancer cells not only showed higher translocation time and peak amplitude compared...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep13031
更新日期:2015-09-16 00:00:00
abstract::A collection of ancient Roman orichalcum coins, i.e., a copper-zinc alloy, minted under the reigns from Caesar to Domitianus, have been characterised using scanning electron microscopy (SEM-EDS) and electron microprobe analysis (EMPA). We studied, for the first time, coins emitted by Romans after the reforms of August...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-48941-4
更新日期:2019-09-03 00:00:00
abstract::In "classic" biomedical research, diseases have usually been studied individually. The pioneering human disease network (HDN) studies jointly consider a large number of diseases, analyse their interconnections, and provide a more comprehensive description of diseases. However, most of the existing HDN studies are base...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-21779-y
更新日期:2018-03-14 00:00:00
abstract::Cold agglutinin disease (CAD) is a rare form of autoimmune haemolytic anaemia, and because of its rareness, there is no standard treatment for CAD patients. We retrospectively analysed the response to rituximab-containing therapy in CAD patients at our hospital. All patients received rituximab-containing therapy for a...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-69465-2
更新日期:2020-07-29 00:00:00
abstract::Low-losses and directionality effects exhibited by High Refractive Index Dielectric particles make them attractive for applications where radiation direction control is relevant. For instance, isolated metallo-dielectric core-shell particles or aggregates (dimers) of High Refractive Index Dielectric particles have bee...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-26359-8
更新日期:2018-05-22 00:00:00
abstract::Variations in isotopic composition of water vapor in the atmosphere is an important indicator of the processes within the hydrological cycle. Isotopic signature of water vapor and precipitation can be helpful in partitioning evaporation and transpiration fluxes. It is well known that transpiration from forested region...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-55186-8
更新日期:2019-12-09 00:00:00
abstract::Interactions and coordination between conspecific individuals have produced a remarkable variety of collective behaviours. This co-operation occurs in vertebrate and invertebrate animals and is well expressed in the group flight of birds, fish shoals and highly organized activities of social insects. How individuals i...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-51012-3
更新日期:2019-10-17 00:00:00
abstract::Some styrene/maleic acid (SMA) copolymers solubilise membrane lipids and proteins to form polymer-bounded nanodiscs termed SMA/lipid particles (SMALPs). Although SMALPs preserve a lipid-bilayer core, they appear to be more dynamic than other membrane mimics. We used time-resolved Förster resonance energy transfer and ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep45875
更新日期:2017-04-05 00:00:00
abstract::Receptor tyrosine kinases (RTKs) are key regulators of normal cellular processes and have a critical role in the development and progression of many diseases. RTK ligand-induced stimulation leads to activation of the cytoplasmic kinase domain that controls the intracellular signalling. Although the kinase domain of RT...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-62460-7
更新日期:2020-03-25 00:00:00
abstract::We propose a homomorphic search protocol based on quantum homomorphic encryption, in which a client Alice with limited quantum ability can give her encrypted data to a powerful but untrusted quantum server and let the server search for her without decryption. By outsourcing the interactive key-update process to a trus...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-61791-9
更新日期:2020-03-20 00:00:00
abstract::Dark-operative protochlorophyllide oxidoreductase (DPOR) is a key enzyme to produce chlorophyll in the dark. Among photosynthetic eukaryotes, all three subunits chlL, chlN, and chlB are encoded by plastid genomes. In some gymnosperms, two codons of chlB mRNA are changed by RNA editing to codons encoding evolutionarily...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-02630-2
更新日期:2017-05-24 00:00:00
abstract::Lateral organ boundaries domain (LBD) proteins are plant-specific transcription factors that play a crucial role in growth and development, as well as metabolic processes. However, knowledge of the function of LBD proteins in Camellia sinensis is limited, and no systematic investigations of the LBD family have been re...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-52027-6
更新日期:2019-10-30 00:00:00
abstract::Applications of ferroelectric materials in modern microelectronics will be greatly encouraged if the thermal incompatibility between inorganic ferroelectrics and semiconductor devices is overcome. Here, solution-processable layers of the most commercial ferroelectric compound--morphotrophic phase boundary lead zircona...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep20143
更新日期:2016-02-03 00:00:00
abstract::Therapies using mesenchymal stem cell (MSC) seeded scaffolds may be applicable to various fields of regenerative medicine, including craniomaxillofacial surgery. Plastic compression of collagen scaffolds seeded with MSC has been shown to enhance the osteogenic differentiation of MSC as it increases the collagen fibril...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep38814
更新日期:2016-12-09 00:00:00
abstract::Transverse-tubules (T-tubules) play pivotal roles in Ca2+-induced, Ca2+ release and excitation-contraction coupling in cardiomyocytes. The purpose of this study was to uncover mechanisms where sarco/endoplasmic reticulum Ca2+ ATPase (SERCA2a) improved cardiac function through T-tubule regulation during myocardial isch...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-021-81570-4
更新日期:2021-01-21 00:00:00
abstract::Pot experiments were carried out to study the effects of rice straw (RS) and rice straw ash (RSA) on the growth of early rice and α-diversity of bacterial community in soils around rare earth mining areas of Xunwu and Xinfeng counties in South Jiangxi of China. The results showed that the exploitation of rare earth re...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-67160-w
更新日期:2020-06-25 00:00:00
abstract::Lysine-specific demethylase 1 (LSD1) is a histone demethylase that participates in transcriptional repression or activation. Recent studies reported that LSD1 is involved in learning and memory. Although LSD1 phosphorylation by PKCα was implicated in circadian rhythmicity, the importance of LSD1 phosphorylation in lea...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-05239-7
更新日期:2017-07-07 00:00:00
abstract::Sublingual immunization is emerging as an alternative to nasal immunization and induction of mucosal IgA responses. Using Bacillus anthracis edema toxin (EdTx) as an adjuvant, we previously showed that innate responses triggered after sublingual immunization could limit generation of IgA responses. We tested whether c...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-36370-8
更新日期:2019-01-24 00:00:00
abstract::An accurate knowledge of tissue optical properties (absorption coefficients, μa, and reduced scattering coefficients, μs') is critical for precise modeling of light propagation in biological tissue, essential for developing diagnostic and therapeutic optical techniques that utilize diffusive photons. A great number of...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-45736-5
更新日期:2019-06-24 00:00:00
abstract::Kaposis's sarcoma associated herpesvirus (KSHV) has been reported to infect, among others, monocytes and dendritic cells DCs impairing their function. However, the underlying mechanisms remain not completely elucidated yet. Here we show that DC exposure to active or UV-inactivated KSHV resulted in STAT3 phosphorylatio...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep04241
更新日期:2014-02-28 00:00:00
abstract::The initiation of polymorphic ventricular tachycardia in long QT syndrome type 2 (LQT2) has been associated with a characteristic ECG pattern of short-long RR intervals. We hypothesize that this characteristic pattern increases APD dispersion in LQT2, thereby promoting arrhythmia. We investigated APD dispersion and it...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-51230-9
更新日期:2019-10-16 00:00:00
abstract::Intercellular adhesion plays a major role in tissue development and homeostasis. Yet, technologies to measure mature cell-cell contacts are not available. We introduce a methodology based on fluidic probe force microscopy to assess cell-cell adhesion forces after formation of mature intercellular contacts in cell mono...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep46152
更新日期:2017-04-10 00:00:00
abstract::Cartilage engineering that combines competent seeding cells and a compatible scaffold is increasingly gaining popularity and is potentially useful for the treatment of various bone and cartilage diseases. Intensive efforts have been made by researchers to improve the viability and functionality of seeding cells of eng...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep26617
更新日期:2016-05-25 00:00:00
abstract::We aim to evaluate the association of systolic and diastolic blood pressure (SBP and DBP) with estimated urinary sodium (Na) and potassium(K) excretions, and their gram-to-gram Na/K ratio across various salt-diet regions during 2005-2009 in China. A prospective cohort study was conducted to recruit 46,285 participants...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-25097-1
更新日期:2018-04-30 00:00:00