| 1. |
- Chang, J. -Q, et al.
(författare)
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Preparation and high photocatalytic performance of spherical BiOCl photocatalyst
- 2018
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Ingår i: 9th China Functional Materials Technology and Industry Forum, 9th CEMTIF 2017. - : Trans Tech Publications Inc.. - 9783035712469 ; , s. 168-174
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Konferensbidrag (refereegranskat)abstract
- The smooth spherical BiOCl photocatalyst was synthesized successfully by a facile solvothermal method and further characterized by X-ray diffraction, scanning electron microscopy, energy dispersive spectrometer and UV-Vis diffuse reflectance spectra techniques. The photocatalytic activity of as-prepared photoctalyst was evaluated by the degradation of Rhodamine B (RhB) under visible light irradiation (λ＞420 nm). The results showed that the BiOCl with smooth spherical morphology exhibits an excellent photocatalytic activity and stability. RhB was thoroughly degraded after 60 min of visible light irradiation.
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| 2. |
- Hu, Wei, et al.
(författare)
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Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions
- 2015
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Ingår i: Chemical Physics. - : Elsevier BV. - 0301-0104 .- 1873-4421. ; 453-454, s. 20-25
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Tidskriftsartikel (refereegranskat)abstract
- The surface-enhanced Raman scattering (SERS) spectroscopy and inelastic electron tunneling spectroscopy (IETS) are employed to study trans-1,2-bis (4-pyridyl) ethylene (BPE)/gold system. Both junction and complex forms are considered for the SERS simulations. It is predicted that the peak at 1581 cm-1 is more intense in the junction forms than that in the complex forms. Time dependent density functional theory calculations show that the relative intensity is mainly controlled by the excitation energy derivative respect to the normal modes, and the total intensity is governed by the excitation energy of the excited states. The CH bending modes dominate the IET spectra when BPE adsorbed on the flat gold surfaces. While, the pyridyl ring deformation modes are more active when BPE adsorbed on the edge of the gold clusters. For BPE adsorbed on the tip of gold clusters, the pyridyl ring and CC stretching modes show significant contribution to the IET spectra.
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| 3. |
- Li, Hongjie J., et al.
(författare)
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Collective band structures in the Tc-99 nucleus
- 2015
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Ingår i: Physical Review C. Nuclear Physics. - 0556-2813 .- 1089-490X. ; 91:5
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Tidskriftsartikel (refereegranskat)abstract
- Excited states in Tc-99 with energies up to 6 MeV have been populated using the Zr-96(Li-7, 4n)Tc-99 reaction with a laboratory beam energy of 35 MeV. Coincident gamma rays from excited nuclei produced in the reactions were detected using an array of coaxial, planar, and clover-type high-purity germanium detectors. A total of 60 new gamma-ray transitions and 21 new levels are identified and placed into a new level scheme. Two collective bands assigned to be built on the pi g(9/2)[422]5/2(+) and pi p(1/2)[301]1/2(-) Nilsson configurations have been extended with spins up to 35/2 and 33/2 h, respectively. Backbending and signature inversion have been observed in the yrast band. The large signature splitting of the positive-parity band in Tc-99 may be caused by a triaxial deformation, which agrees well with the electromagnetic properties, theoretical calculations based on total Routhian surface, and triaxial particle-rotor model calculations.
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| 4. |
- Huang, Y., et al.
(författare)
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High-spin structures in the Xe-129 nucleus
- 2016
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Ingår i: Physical Review C. - : American Physical Society. - 2469-9985. ; 93:6
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Tidskriftsartikel (refereegranskat)abstract
- High-spin states in the Xe-129 nucleus are studied with the reaction Sn-124(Be-9,4n) at a beam energy of 36 MeV. The level scheme is extended significantly. For the positive-parity band, the alpha = +1/2 and the alpha = -1/2 signature components are combined to form a complete band structure based on the 3/2(+) state with spin and parity up to 21/2(+). For the negative-parity band based on the 11/2(-) state, the alpha = +1/2 signature component is newly established and both the alpha = +1/2 and the alpha = -1/2 signature components also form a complete band structure up to the 35/2(-) state. The positive-and negative-parity bands are proposed to originate from nu d(3/2) 3/2(+)[402] and nu h(11/2)11/2(-)[505] Nilsson configurations, respectively. A backbending is observed in the negative-parity band, which originates from the alignments of two h(11/2) protons according to crank shell model calculations. Based on the total Routhian surface and quasiparticle triaxial rotor model calculations, the negative-parity band is interpreted as a triaxially deformed shape with gamma approximate to -30 degrees, while the positive-parity band is associated with. softness, in accordance with previous studies. In the high-spin states, three decoupled bands and one oblate band with gamma approximate to -60 degrees are newly identified. The systematics and other characteristics of these bands are discussed.
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| 5. |
- Ren, H., et al.
(författare)
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Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions
- 2016
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry. - 1463-9076 .- 1463-9084. ; 18:38, s. 26586-26594
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Tidskriftsartikel (refereegranskat)abstract
- We propose a high performance single molecule rectifier by sandwiching a deoxycytidine base pair between gold electrodes. The conductance of the single base pair junction can be controlled by its protonation status, with ON/OFF ratios between the protonated (pCC) and deprotonated (CC) junctions of 3-5 orders of magnitude. In the conducting pCC state, we observed a high rectification ratio of two orders of magnitude at bias voltage values around 0.1 V. This rectification ratio surpasses most of the theoretical designs for single molecular rectifiers, while the low working voltage implies significant energy efficiency. Negative differential resistance (NDR) was also witnessed in the protonated state, with a peak to valley ratio of 24. Both the rectifying and NDR effects originate from strong Fermi level pinning effects. The electronic performance offers these single base pair junctions potential applications as a unimolecular rectifier or switch with an NDR effect. The current-voltage response is unique compared with those of the reported canonical A-T and G-C pairs, and provides the possibility to be used for i-motif DNA structure recognition or sequencing.
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| 6. |
- Song, Ce, et al.
(författare)
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Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives
- 2017
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Ingår i: Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy. - : Elsevier. - 1386-1425 .- 1873-3557. ; 183, s. 339-347
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Tidskriftsartikel (refereegranskat)abstract
- In the present work we systematically investigated the vibrationally-resolved absorption spectra of three core substituted naphthalenediimide cyclophane derivatives. It has been performed by time-dependent density functional theory calculations using three different exchange-correlation functionals, including the conventional B3LYP functional and two long-range corrected functionals: CAM-B3LYP and ωB97XD. The solvent effects were also considered with the polarizable continuum model. Calculation results showed that long range corrections are needed to correctly describe the optical properties of the three molecules because of the strong charge transfer characteristic of the excited states. The core substitution induced red shift to the first absorption band is nicely explained by the theoretical calculations. It is found that this band mainly involves the transitions within the core substituted naphthalenediimide chromophore. The high energy absorption band, on the other hand, is generated mainly from the un-substituted chromophore. These characters result in different substitution dependence for those two main absorption bands. Furthermore, the simulated vibrational profiles of the first two absorption bands nicely reproduce the observed vibrational features in the measured spectra. The accuracy of the calculated results from different functionals and basis sets has been discussed.
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| 7. |
- Yu, Xue Qin, et al.
(författare)
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Phase of care prevalence for prostate cancer in New South Wales, Australia : A population-based modelling study
- 2017
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Ingår i: PLOS ONE. - : Public Library Science. - 1932-6203. ; 12:2
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Tidskriftsartikel (refereegranskat)abstract
- Objective To develop a method for estimating the future numbers of prostate cancer survivors requiring different levels of care. Design, setting and participants Analysis of population-based cancer registry data for prostate cancer cases (aged 18-84 years) diagnosed in 1996-2007, and a linked dataset with hospital admission data for men with prostate cancer diagnosed during 2005-2007 in New South Wales (NSW), Australia. Methods Cancer registry data (1996-2007) were used to project complete prostate cancer prevalence in NSW, Australia for 2008-2017, and treatment information from hospital records (2005-2007) was used to estimate the inpatient care needs during the first year after diagnosis. The projected complete prevalence was divided into care needs-based groups. We first divided the cohort into two groups based on patient's age (<75 and 75-84 years). The younger cohort was further divided into initial care and monitoring phases. Cause of death data were used as a proxy for patients requiring last year of life prostate cancer care. Finally, episode data were used to estimate the future number of cases with metastatic progression. Results Of the estimated total of 60,910 men with a previous diagnosis of prostate cancer in 2017, the largest groups will be older patients (52.0%) and younger men who require monitoring (42.5%). If current treatment patterns continue, in the first year post-diagnosis 41% (1380) of patients (<75 years) will have a radical prostatectomy, and 52.6% (1752) will be likely to have either active surveillance, external beam radiotherapy or androgen deprivation therapy. About 3% will require care for subsequent metastases, and 1288 men with prostate cancer are likely to die from the disease in 2017. Conclusions This method extends the application of routinely collected population-based data, and can contribute much to the knowledge of the number of men with prostate cancer and their health care requirements. This could be of significant use in planning future cancer care services and facilities in Australia.
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| 8. |
- Yu, Xue Qin, et al.
(författare)
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Prostate cancer prevalence in New South Wales Australia : A population-based study
- 2015
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Ingår i: Cancer Epidemiology. - : Elsevier BV. - 1877-7821 .- 1877-783X. ; 39:1, s. 29-36
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Tidskriftsartikel (refereegranskat)abstract
- Background: Information on the current and future numbers of Australian men living with prostate cancer is limited. We describe a method for estimating complete prevalence of prostate cancer to provide a measure of the burden of prostate cancer in Australia. Methods: Prostate cancer data from the New South Wales (NSW) Central Cancer Registry were used with PIAMOD (Prevalence and Incidence Analysis MODel) software to estimate future prostate cancer prevalence in NSW. We first fitted parametric incidence and survival models then used the modelled incidence and survival estimates to calculate complete prevalence. The estimated and projected prevalence incorporate past observed trends and take into account different assumptions about future survival trends. These models were validated against observed prevalence from the counting method. Results: Based on data for 1996-2007, the number of men living with prostate cancer in NSW was estimated to rise by 59% to 73%, from 38,322 in 2007 to 60,910-66,160 in 2017. The increasing incidence rates and the ageing population were the major contributors to this estimated increase. Validation suggested that these projections were reasonable, as the estimated prevalence in 1996-2007 was in good agreement with the corresponding prevalence calculated using the direct counting method, and the incidence models were supported by the recent data on prostate-specific antigen testing. Conclusions: As the number of men living with prostate cancer is expected to increase dramatically in the next decade in Australia, representing a significant challenge to the health system, careful planning and development of a healthcare system able to respond to this increased demand is required. These projections are useful for addressing the challenge in meeting the cancer care needs of men with prostate cancer.
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