Ab initio investigation into the structural, electronic and elastic properties of AlCu2TM (TM = Ti, Zr and Hf) ternary compounds

The Al-Cu-TM (TM = transition metal) alloy system has attracted great attention for both excellent glass-forming ability and its interesting physical properties. In this work, an investigation into the crystal, electrical and elastic properties of the AlCu₂TM (TM = Ti, Zr, and Hf) compounds has been conducted by first-principles calculations based on density-functional theory. The fully relaxed structure parameters of the AlCu₂TM compounds are in good agreement with previous experimental and other theoretical results. Besides, the cohesive energies of all the AlCu₂TM compounds have been evaluated. The energy band and densities of state of these compounds are also obtained. According to the calculated single crystal elastic constants, all the compounds are mechanically stable. The polycrystalline bulk moduli, shear moduli, Young’s moduli and Poisson’s ratio have been deduced by using Voigt-Reuss-Hill (VRH) approximations. The calculated negative Cauchy pressure and ratio of bulk modulus to shear modulus indicated that the AlCu₂TM compounds are ductile materials. The Debye temperatures of the AlCu₂TM compounds decrease with increasing the TM (Ti, Zr, and Hf) atomic number.     

Geometrical phase and surface plasmon focusing with azimuthal polarization

Owing to a geometric phase effect, an isosceles triangular aperture etched into thin metal film leads to constructive or destructive interference of surface plasmons excited at the two equal sides under linearly polarized illumination. Through appropriate spatial arrangement of an array of triangles, a highly confined focal spot beyond the diffraction limit can be achieved at the geometric center under azimuthally polarized excitation with field enhancement comparable to a bull's eye plasmonic lens under radially polarized illumination. Through simply rotating the orientation of each triangle aperture by 90°, the plasmonic structure defocuses the same azimuthal polarization illumination due to destructive interference caused by a geometric π-phase difference between the two sides of the triangle and between the adjacent triangles.     

Aptamer optical biosensor without bio-breakage using upconversion nanoparticles as donors

LRET-based optical biosensor of an aptamer-upconversion conjugate was constructed. It is demonstrated that photosensitized breakage and damage of aptamers are eliminated by employing UCNPs as donors, and the as-designed biosensor is specific and sensitive in the detection of ATP.     

A 3D star-shaped non-fullerene acceptor for solution-processed organic solar cells with a high open-circuit voltage of 1.18 V

A novel 3D star-shaped acceptor based on triphenylamine as a core and diketopyrrolopyrrole as arms (S(TPA-DPP)) was synthesized. S(TPA-DPP) exhibited excellent thermal stability, strong absorption, and very high open-circuit voltage (1.18 V) in solution-processed organic solar cells based on P3HT:S(TPA-DPP).     

Ionic rectification by electrostatically actuated tethers on single walled carbon nanotube membranes

Large electrostatically actuating charged tethers (~2.5 nm) at the tip entrances of single walled carbon nanotubes (i.d. ~ 1.5 nm) can dramatically enhance ionic gating at the CNT core entrance. Significant rectification of small ions at physiological ionic strengths is observed and this system closely mimics the function of protein channels.     

Cationic polymers and aptamers mediated aggregation of gold nanoparticles for the colorimetric detection of arsenic(III) in aqueous solution

As(III) specifically interacts with an arsenic-binding aptamer to form an As(III)-aptamer complex, so that the following cationic polymer can aggregate gold nanoparticles (AuNPs) and cause a remarkable change in color, which enables the colorimetric detection of As(III) with high selectivity and a detection limit of 5.3 ppb.     

Chemical composition of essential oils of Litsea cubeba harvested from its distribution areas in China

Litsea cubeba (Lour.) Pers. is a promising industrial crop with fruits rich in essential oils. The chemical composition of essential oils of L. cubeba (EOLC) were determined for fruits harvested from eight regions in China. The overall essential oil content, obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry (GC-MS), ranged from 3.04% to 4.56%. In total, 59 compounds were identified, the dominant components being monoterpenes (94.4-98.4%), represented mainly by neral and geranial (78.7-87.4%). D-Limonene was unexpectedly a lesser constituent (0.7-5.3%) in fruits, which differed from previous reports (6.0-14.6%). Several components were only detected in certain regions and compounds such as o-cymene and eremophilene have never before been reported in EOLC. These results demonstrate significant regional variation in the chemical composition of EOLC. This investigation provides important information with regard to the bioactivity, breeding work and industrial applications of L. cubeba.     

A novel, universal and sensitive lateral-flow based method for the detection of multiple bacterial contamination in platelet concentrations

In the present study, we aimed to develop a nucleic acid lateral-flow method for the rapid and sensitive detection of multiple bacteria that contaminate platelet concentrations (PCs). Polymerase chain reaction (PCR) amplicons were produced by a set of board-range primers that recognize the conserved region of bacteria 16S rDNA, followed by hybridization with both an FITC (fluorescein isothiocyanate)-labelled probe and biotin-labelled probe, and then a nucleic acid lateral-flow dipstick (LFD) assay. The LFD accurately identified 7 species of bacteria, but had no cross-reactivity with human genomic DNA. The limit of detection (LOD) of the LFD assay was as low as 10(1) copies/μL of 16S rDNA for plasmid. In the case of spiked PCs without enrichment, the detection limit of LFD for K. pneumonia was 5 CFU/mL, 6.5 × 10(4) CFU/mL for the S. epidermidis and 35 CFU/mL for P. aeruginosa.     

Nucleophilic addition-triggered lanthanide luminescence allows detection of amines by Eu(thenoyltrifluoroacetone)3

Herein, a novel fluorescent indicator for the real-time monitoring of amines is described. This probe contains a complex of europium-(thenoyltrifluoroacetone)(3) (Eu(TTA)(3)) that efficiently reacts with primary and secondary amines. The electron-withdrawing trifluoroacetyl undergoes a nucleophilic addition with amines, and the complex was used to selectively detect BuNH(2) and Et(2) NH (quenching concentration for BuNH(2): 10(-4) M, for Et(2)NH: 1.2 × 10(-3) M) by monitoring emission; no changes were observed in the emission spectrum of Eu(TTA)(3) in the presence of Et(3)N, [Bu(4)N]Cl, or PhNH(2) in aqueous solution (THF/H(2)O = 1:1). The ratio of emission intensity to amine concentration was linear by the least-squares fitting method.     

Analysis of multiplex endogenous estrogen metabolites in human urine using ultra-fast liquid chromatography–tandem mass spectrometry: A case study for breast cancer

A rapid, sensitive, specific and accurate analytical method of ultra-fast liquid chromatography combined with tandem mass spectrometry (UFLC–MS/MS) was established for simultaneous quantitative analysis of 16 distinct endogenous estrogens and their metabolites (EMs) in postmenopausal female urine. The quantitative method utilized a hydrolysis/extraction/derivatization step and a UFLC system to achieve separation in 16 min. The lower limit of quantitation for each estrogen metabolite was 2 pg mL⁻¹ with the percent recovery of a known added amount of estrogen at 93.2–109.3%. The intra-batch accuracy and precision for all analytes were 87.5–107.7% and 0.6–11.7%, respectively, while inter-batch accuracy and precision were 87.0–105.8% and 1.2–10.2%, respectively. Using this developed and validated method, the comprehensive metabolic profiling of 16 EMs in urine samples of 86 postmenopausal female breast cancer patients and 36 healthy controls was investigated by systematic statistical analysis. As a result, the circulating levels of 6 EMs were found to be different by a comparison of patients and healthy controls. The parent estrogens, estrone (E1) and 17β-estradiol (E2), as well as 2-hydroxyestradiol (2-OHE2) and 4-hydroxyestradiol (4-OHE2) were produced in higher abundance, whereas 16α-hydroxyestrone (16α-OHE1) and 2-methoxyestradiol (2-MeOE2) were decreased in the breast cancer group. 2-OHE2 and 4-OHE2 in particular showed significant elevation in patients, which are consistent with the carcinogenic mechanism hypothesis that catechol estrogens can react with DNA via quinones, resulting in mutations to induce breast cancer. Thus, 2,4-hydroxylation may be the dominant metabolic pathway for parent estrogens rather than 16α-hydroxylation. The lower level of 2-MeOE2 in the breast cancer group was believed to correlate with its protective effect against tumor formation. This study could provide valuable information on the association of the EM metabolic pathway with carcinogenesis as well as identify potential biomarkers for estrogen-induced breast cancer risk.