Oblique Impacts of Nanodroplets upon Surfaces.

In this work, oblique impacts of nanodroplets impacting surfaces in a wide range of impact angles (α) are investigated in detail via molecular dynamics simulations. Five outcomes are observed, including deposition, prompt splashing, break-up, separation, and shattering. With increasing impact angle, the outcomes of prompt splashing, break-up, separation, and shattering are enlarged but the one of deposition is compressed. By drawing a Wen ∼ α phase diagram, the outcome regimes and corresponding boundaries of them can be successfully identified, and the boundary between the deposition and other outcome regimes is theoretically modeled and shows good agreement with the phase diagram, where Wen is the normal impact Weber number. For further understanding of the oblique impacts, the maximum spreading factor, as the feature parameter of spreading, is investigated. Asymmetry spreading behaviors are observed, noting that ßmax,∥ is always larger than ßmax,⊥. ßmax,⊥ is tested that it only depends on Wen with wide impact angles and could be predicted by the scaling law of ßmax,⊥ = 0.7Wen1/4. However, ßmax,∥ depends on not only Wen but also impact angles. A modified model is proposed for predicting ßmax,∥ as 0.7Wen1/4 + 0.001(Wen tan2 α)3/2, which shows good agreement with data on surfaces with θ from 73 to 105° in wide Wen and α ranges.

Clinical efficacy of Vortioxetine and escitalopram in the treatment of depression.

Objectives: This study was aimed to investigate the efficacy and safety of vortioxetine hydrobromide in the treatment of major depressive disorder (MDD). Methods: One hundred and eighty patients with the newly diagnosed depression in our hospital between August 2018 and August 2019 were selected and randomly divided into an observation group and a control group, 90 each group. The control group was treated with escitalopram, and the observation group was treated with voltaxetine. The efficacy and adverse reactions were evaluated by the Hamilton Depression scale-17 (HAMD-17), Sheehan Disability Scale (SDS), Perceived Deficits Questionnaire-Depression (PDQ-D), and treatment emergent symptom scale (TESS) before treatment and at the end of the 8th and 24th week after treatment. Results: At the end of the 8th and 24th week after treatment, the HAMD-17 scores of the two groups were lower than those before treatment (P<0.05); at the end of the 8th and 24th week after treatment, the PDQ-D and SDS scores of the two groups were lower than those before treatment (P<0.05), and the above scores of the observation group were lower than those of the control group (P<0.05). There was no significant difference in the incidence of adverse reactions between the two groups (P>0.05). Conclusion: Voltaxetine can improve cognitive function and clinical symptoms of patients with severe depression and has high safety, which is worth clinical attention.

Molecular-level insights into the immobilization of vapor-phase mercury on Fe/Co/Ni-doped hierarchical molybdenum selenide.

A novel and efficient adsorbent (TM-MoSe2, TM = Fe, Co, Ni) for mercury removal was developed and studied. The adsorption of mercury species (Hg0, HgCl, and HgCl2) and the oxidation of Hg0 by HCl on TM-MoSe2 (001) surface were explored at molecular level by density functional theory (DFT). The results shown that the Hg0 adsorption capacity of MoSe2 was improved by the doping of Fe/Co/Ni, which was also confirmed by experiments. The initial Hg0 removal efficiency of MoSe2-based adsorbents reached 96.4-100.0%. In addition, HgCl was mainly adsorbed on TM-MoSe2 (001) surface in the form of dissociation. The escape of Hg atom from HgCl resulted in the release of Hg0 again. However, HgCl2 could be fixed well on the surface of adsorbent through molecular adsorption or dissociative adsorption. For the oxidation process of Hg0 by HCl, it abided with the Langmuir-Hinshelwood mechanism. In comparison with direct oxidation (Hg → HgCl2), two-step pathway (Hg → HgCl → HgCl2) was an achievable reaction route with lower energy. Furthermore, the Hg → HgCl process was the rate-limiting step of the two-step pathway. The proposed adsorption and oxidation mechanism of mercury species on TM-MoSe2 (001) provide advanced strategies on the development of adsorbents for industrial mercury removal.

Effects of Vortioxetine on depression model rats and expression of BDNF and Trk B in hippocampus.

Effects of Vortioxetine on the expression of brain-derived neurotrophic factor (BDNF) and tyrosine kinase B (Trk B) in hippocampus of depressive rats were investigated. Forty-five SD rats were randomly divided into three groups: model control, Vortioxetine and normal control group, with 15 rats in each group. The changes of body mass were recorded within 5 weeks, and the open field test, sugar water preference test and Morris water maze test were performed to evaluate the behavior and mental status of the rats. The expression of BDNF and Trk B in rat hippocampus was detected by enzyme-linked immuno sorbent assay. Compared with the model control group, the body mass, horizontal and vertical movement, sugar and water preference rate of the vortioxetine group in the 5th week were significantly higher than those of the model control group (P<0.05), and significantly lower than those of the normal control group (P<0.05). The escape latency of the Vortioxetine group within 4 days was significantly lower than that of model control group (P<0.05), but higher than that of normal control group (P<0.05). The target quadrant residence time of the Vortioxetine group was significantly lower than that of the model control group (P<0.05), but higher than that of the normal control group (P<0.05). Expression of BDNF and Trk B in the Vortioxetine group was significantly higher than that in the model control group (P<0.05), but lower than that of the normal control group (P<0.05). Collectively, Vortioxetine can effectively alleviate the symptoms of autonomous and exploratory behavior, and reduce the decrease of learning and memory in depressive rats. Vortioxetine can increase the expression of BDNF and Trk B in depressive rats and alleviate their depressive behavior.

An enantioselective assembly of naphthopyran via NHC-catalyzed [3 + 3] annulation of bromoenal with ß-tetralone.

An asymmetric assembly of naphthopyran was realized via the N-heterocyclic carbene (NHC)-catalyzed formal [3 + 3] annulation of bromoenal and ß-tetralone. The key advantages of this protocol include ready availability of starting materials, mild reaction conditions, good yields and excellent enantioselectivities.

NHC-catalyzed [4 + 2] annulation of 2-bromo-2-enals with acylhydrazones: enantioselective synthesis of δ-lactams.

An asymmetric assembly of δ-lactams was realized via the NHC-catalyzed formal [4 + 2] annulation of acylhydrazones and 2-bromo-2-enals bearing γ-H. The advantages of this protocol include high enantioselectivity, good yields, mild reaction conditions and potential biological significance of the final products.

Effects of gas temperature on NO(x) removal by dielectric barrier discharge.

The purpose of this investigation is to discuss the effect of gas temperature on NO(x) removal by dielectric barrier discharge. The Boltzmann equation was used to analyse the electron distribution function in the reactor, and experiments were conducted to find out the effects of different temperatures. The calculation results show that, with a rise in the temperature, E/N increases, increasing the ionization rate. When the ratio of electric field strength to total gas density (E/N) rises from 50 to 150 Td, the ionization rate and electron mean energy increase by 2.0 x 10(5) and 2.3, respectively. The experiments show that in the NO/N2 system, when the temperature increases to 1 30 degrees C and the applied voltage is 11.1 kV, the discharge power is 44.7 W, which is higher than the discharge power of 35.4 W found at 25 degrees C; in the NO/O2/N2 system, an increase in the temperature increases the decomposition of active O3 species, producing a negative effect on NO oxidation; in the NO/O2/N2/C2H4 system, when the temperature increases, the quantity of active species HO2 increases and the NO removal reaction rate increases, reflecting an obvious improvement in the NO removal; and in the NO/O2/N2/C2H4/H2O system, at 25 degrees C, 90 degrees C, and 130 degrees C, when the energy density is 239.7 J L(-1), the NO removal efficiencies are 52.8%, 66.4%, and 71.0%, respectively.

[Pore structure and desulfurization characteristics of organic calcium].

Calcination of oganic calcium was carried out in fixed bed, pore structure of tested sample was analyzed with auto-adsorption analyzer, and desulfurization experiment was studied by intelligent sulfur determination analyzer. Specific surface area of calcium magnesium acetate (CMA) was 46.6 m2/g after calcination at 900 degrees C, almost four times of that of limestone. Specific surface area of calcium acetate (CA) were mainly made up of pore of diameter less than 5 nm, and those of CMA was chiefly contributed by middle pore of diameter about 5 nm. Agglomeration of CA occurred in pore of diameter less than 5 nm, while CMA was sintered in whole range of pore size distribution. Agglomeration of organic calcium were slighter. Desulfurization efficiency of organic calcium ranged from 62.28% to 75.55% at 1000 degrees C as calcium/sulfur ratio being one, which was one time more than that of limestone. Perfect pore structure of organic calcium contributes to higher desulfurization efficiency.

[Desulfurization characteristic of organic calcium at high temperature].

Aim to control the emission of SO2 during coal combustion, desulfurization characteristic of organic calcium was studied by intelligent sulfur determination analyzer. Sulfur releasing curve changed from two "peak value" to one for addition of organic calcium, with velocity of SO2 release decreasing. Efficiency of sulfur reduction was double when organic calcium was used under 1 000 degrees C compared to limestone, and reduction efficiency of calcium magnesium acetate was 73.84%. Sulfur content, furnace temperature, calcium/sulfur ratio and paticle's diameter were important factors as for desulfurizing rate. Sulfur removal efficiency was improved with coal's sulfur content increasing or particle's diameter decreasing. Decreasing degree of reduction efficiency lowered with sulfur content increasing as temperature improved. Efficiency remained high level as 59.08% by calcium magnesium acetate at 1 200 degrees C. Perfect efficiency could be reached as calcium/sulfur ratio being one and augmentation degree was inapparent with more calcium addition. Therefore organic calciums are excellent absorbent for desulfurization and calcium magnesium acetate has best sulfur removal efficiency.