Ab initio study of the giant ferroelectric distortion and pressure induced spin-state transition in BiCoO3

Using configuration-state-constrained electronic structure calculations based on the generalized gradient approximation plus Hubbard U method, we sought the origin of the giant tetragonal ferroelectric distortion in the ambient phase of the potentially multiferroic material BiCoO3 and identified the nature of the pressure induced spin-state transition. Our results show that a strong Bi-O covalency drives the giant ferroelectric distortion, which is further stabilized by an xy-type orbital ordering of the high-spin (HS) Co3+ ions. For the orthorhombic phase under 5.8 GPa, we find that a mixed HS and low-spin (LS) state is more stable than both LS and intermediate-spin (IS) states, and that the former well accounts for the available experimental results. Thus, we identify that the pressure induced spin-state transition is via a mixed HS+LS state, and we predict that the HS-to-LS transition would be complete upon a large volume decrease of about 20%.Comment: 6 pages, 6 figures, 2 table

Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6

Pressure can tune material's electronic properties and control its quantum state, making some systems present disconnected superconducting region as observed in iron chalcogenides and heavy fermion CeCu2Si2. For CaC6 superconductor (Tc of 11.5 K), applying pressure first Tc increases and then suppresses and the superconductivity of this compound is eventually disappeared at about 18 GPa. Here, we report a theoretical finding of the re-emergence of superconductivity in heavily compressed CaC6. The predicted phase III (space group Pmmn) with formation of carbon nanofoam is found to be stable at wide pressure range with a Tc up to 14.7 K at 78 GPa. Diamond-like carbon structure is adhered to the phase IV (Cmcm) for compressed CaC6 after 126 GPa, which has bad metallic behavior, indicating again departure from superconductivity. Re-emerged superconductivity in compressed CaC6 paves a new way to design new-type superconductor by inserting metal into nanoporous host lattice.Comment: 31 pages, 12 figures, and 4 table

Thrusting and exhumation of the southern Mongolian Plateau: Joint thermochronological constraints from the Langshan Mountains, western Inner Mongolia, China

The Mongolian Plateau has undergone multi-stage denudation since the Late Triassic, and the NE-trending Langshan Mountains in the southern margin of the Mongolian Plateau is crucial to unraveling the Meso-Cenozoic cooling and exhumation history of the Mongolian Plateau. The Langshan Mountains are dominated by Precambrian gneiss and Permian–Middle Triassic granitic plutons crosscut by a set of NE-striking thrust faults. A joint thermochronological study was conducted on 31 granitic and gneissic samples along the HQ and CU transects across the Langshan Mountains and other two samples from the BQ in the north of the Langshan Mountains. Four biotite/muscovite and three K-feldspar 40Ar/39Ar plateau ages range from 205 ± 1 to 161 ± 1 and 167 ± 1 to 131 ± 1 Ma, respectively. Thirty-three apatite fission track (AFT) ages are between 184 ± 11 and 79 ± 4 Ma, with mean track lengths from 11.1 ± 1.8 to 13.1 ± 1.4 μm of mostly unimodal distributions. Thirty-one single-grain raw AHe ages are in a range of 134 ± 8 to 21 ± 1 Ma. The AFT ages decrease monotonously from NW to SE until thrust faults along the two transects, with an age-jump across thrust F35. Joint thermal history modelling shows a three-stage cooling history as a result of denudation, especially with spatial differentiation in the first stage. Relative slow cooling at c. 0.6–1.0 °C/Ma occurred in the BQ and the northern part of the HQ transect during 220–100 Ma and the northern part of the CU transect during 160–100 Ma, respectively, with an amount of c. 2–3 km denudation between 160 and 100 Ma, implying little movement along the thrusts F13 and F33. In the middle and southern parts of the HQ transect and the southern part of the CU transect, rapid cooling at c. 4.0–7.0 °C/Ma, with c. 6–9 km denudation during 170–130 or 160–100 Ma, respectively, is probably influenced by thrusting of F35, F38 and F42 and the resultant tilting. A combination of thrusting, tilting, and denudation led to the youngering trends towards thrusts in different parts. However, there was no significant denudation across the Langshan Mountains in the second stage from c. 100 or 80 Ma until the last stage of rapid denudation (c. 2 km) since 20–10 Ma, which is simultaneous with the rapid uplift of the northern part of the Tibetan Plateau at c. 15 Ma. A youngering trend of AFT ages from the inner to the peripherals of the Mongolian Plateau implies the outward propagation of the Mongolian Plateau since the Mesozoic

Reducing the aerodynamic drag of high-speed trains by air blowing from the nose part: Effect of blowing speed

To reduce the aerodynamic drag of high-speed trains, this work proposes an air blowing configuration on the head and tail cars of high-speed trains. The variation in the aerodynamic drag and slipstream velocity is analyzed under different blowing velocities, and the flow mechanism for train aerodynamic performance alteration is explained. The results show that under the blowing speeds of Ub = 0.05Ut, 0.10Ut, 0.15Ut, and 0.20Ut, where Ut is the train speed, the total drag coefficient (Cd) decreases by 5.81%, 10.78%, 13.70%, and 15.43% compared to the without-blowing case, respectively. However, with the increase in the blowing speed, the reduction trend of Cd tends to be smoother; namely, the decrement ratio compared to the previous blowing speed for the head car is 9.08%, 0.11%, 0.60%, and 1.14% for Ub = 0.05Ut, 0.10Ut, 0.15Ut, and 0.20Ut, respectively. The blowing measure generates an air gap between the coming flow and train surface, consequently causing a reduction in the viscous and pressure drag. In addition, the structure size and strength of the wake flow under different blowing cases show a decreasing trend from Ub = 0.00Ut to 0.10Ut and then an increasing trend from Ub = 0.10Ut to 0.20Ut. Thus, considering the blowing cost, efficiency, and flow structure evolution comprehensively, the case of Ub = 0.10Ut is recommended. Under this blowing speed, the reduction ratio of the aerodynamic drag is 9.18%, 12.77%, 10.90%, and 10.78% for the head, middle, tail car, and total train, respectively

The Holistic Effects of Acupuncture Treatment

Traditional Chinese Medicine (TCM), as a complex medical science which reflects philosophical principles and embodies large dialectical thought, is used to place the human body into a large system for observation. Acupuncture as a vital part of TCM, has been practiced to treat various diseases and symptoms. However, acupuncture is also facing severe challenges resulted from insufficient modern scientific research. Nowadays, the holistic effects of acupuncture can be researched by some modern approaches, such as the systems biology and fMRI technique. It is believed that having a better understand will greatly promote acupuncture research and be beneficial to scientization and modernization of acupuncture

Geraniol attenuates virulence factors by inhibiting quorum sensing of Pseudomonas aeruginosa

Pseudomonas aeruginosa is a ubiquitous opportunistic pathogen that can cause severe respiratory tract infections. Geraniol, a chemical component of essential oils, has antimicrobial and anti-inflammatory activities, along with low toxicity. However, the effect and mechanism of geraniol against P. aeruginosa virulence factors are rarely studied. In this study, we investigated the quorum sensing (QS) inhibitory effects and mechanisms of geraniol against P. aeruginosa PAO1, using physiological and biochemical techniques, quantitative reverse transcription polymerase chain reaction, and transcriptomics. Geraniol slightly affected P. aeruginosa PAO1 growth, prolonged the lag phase, and delayed growth periods in a concentration-dependent manner. Geraniol inhibited three QS systems of P. aeruginosa, las, rhl, and pqs by suppressing the expression level of their key genes, including the three signal synthetase encoding genes of lasI, rhlI, and pqsABCDEH, and the corresponding signal receptor encoding genes of lasR, rhlR, and pqsR. Geraniol also suppressed certain virulence genes regulated by these three QS systems, including rhlABC, lasAB, lecAB, phzABMS, and pelABG, resulting in the attenuation of the related virulence factors, rhamnolipids, exoprotease LasA, elastase, lectin, pyocyanin, and biofilm. In conclusion, geraniol can suppress the virulence factors of P. aeruginosa PAO1 by inhibiting the three QS systems of las, rhl, and pqs. This study is significant for improving the treatment of bacterial infections caused by P. aeruginosa

Multi-target siRNA based on DNMT3A/B homologous conserved region influences cell cycle and apoptosis of human prostate cancer cell line TSU-PR1

Abnormal genome hypermethylation participates in the tumorigenesis and development of prostate cancer. Prostate cancer cells highly express DNA methyltransferase 3 (DMNT3) family genes, essential for maintaining genome methylation. In the present study, multi-target siRNA, based on the homologous region of the DNMT3 family, was designed for the in vitro investigation of its effects on the proliferation, migration, and invasion of TSU-PR1 prostate cancer cells. The consequential cell-cycle derangement, through DNMT3A/B or only DNMT3B silencing, was partially efficient, without affecting apoptosis. DNMT3A silencing had absolutely no effect on changing TSU-PR1 cell biological behavior. Hence, DNMT3B alone apparently plays a key role in maintaining the unfavorable behavior of prostate-cancer cells, thereby implying its potential significance as a promising therapeutic target, with DNMT3A simply in the role of helper