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• The origin of structure driven NLO activity of 2,2′-[1,2-phenylene-bis(methylenoxy)]- dibenzaldehyde with non-linear o -xylenyloxy linker is demonstrated in comparison with three other dibenzaldehydes with linear linkers. • Single crystal XRD, UV-Vis-NIR spectroscopy, DFT, and SHG studies rationalize their linear and nonlinear optical properties. • A comparative molecular structure-NLO activity relationship of four o -bridged dibenzaldehydes is investigated from computational and experimental studies. Structural and second order nonlinear optical characteristics of four ortho -bridged dibenzaldehydes with alkyloxy- and xylenyloxy linkers are compared from the XRD, UV-Vis-NIR spectroscopic, SHG, and DFT studies. Interruption of electron polarization by π -conjugation of the linkers between the two benzaldehyde units affect their NLO properties like hyperpolarizability (β) in these acceptor– π –bridge–donor– π –bridge–acceptor (A– π –D– π –A) systems. The noncentrosymmetric 2,2′-[1,2-phenylenebis(methylenoxy)]dibenzaldehyde exhibits SHG efficiency matching with that of potassium dihydrogenphosphate (KDP) in Kurtz-Perry powder method. The acentric supramolecular architecture stabilized by H-bonding and aromatic π - π stacking interactions in the solid state with the non-linear o -xylenyloxy linker rationalizes the origin of its structure driven NLO property. Chromophore density, broad optical transparency, low cut-off wavelength of electronic absorptions, and thermal stability of 2,2′-[1,2-phenylenebis(methylenoxy)]dibenzaldehyde make it a promising candidate for second order NLO applications. [Display omitted] Conjugation interrupted ortho -bridged dibenzaldehyde exhibits NLO activity due to inductive and steric effects, acentric supramolecular packing in the solid state, broad optical transparency, low cut off wavelength of electronic absorption, and thermal stability. [ABSTRACT FROM AUTHOR]

Recent molecular and morphological studies have shown that the genera Halosarcia, Pachycornia, Sclerostegia, Tecticornia and Tegicornia are closely related and form a monophyletic group. Support for the monophyly of the individual genera in the group is lacking, with the smaller genera nested in a paraphyletic Halosarcia. In light of this it is proposed that these genera be subsumed into a single genus for which the most appropriate available name is Tecticornia. A conspectus is provided of all species in the expanded Tecticornia, with new combinations given for 30 species and 13 subspecies. [ABSTRACT FROM AUTHOR]

The mid-Cretaceous is widely considered the archetypal ice-free greenhouse interval in Earth history, with a thermal maximum around Cenomanian-Turonian boundary time (ca. 90 Ma). However, contemporaneous glaciations have been hypothesized based on sequence stratigraphic evidence for rapid sea-level oscillation and oxygen isotope excursions in records generated from carbonates of questionable preservation and/or of low resolution. We present new oxygen isotope records for the mid-Cenomanian Demerara Rise that are of much higher resolution than previously available, taken from both planktic and benthic foraminifers, and utilizing only extremely well preserved glassy foraminifers. Our records show no evidence of glaciation, calling into question the hypothesized ice sheets and rendering the origin of inferred rapid sea-level oscillations enigmatic. Simple mass-balance calculations demonstrate that this Cretaceous sea-level paradox is unlikely to be explained by hidden ice sheets existing below the limit of δ18O detection. [ABSTRACT FROM AUTHOR]

Abstract: The synthesis of the platinum(II) complexes, [Pt(AIP)(bpy)](PF6)2 (1) and [Pt(PIP)(phen)](PF6)2 (2), of anthracene- and pyrene-conjugated imidazophenanthroline ligands and their in vitro cytotoxicity toward the fibroblast cells and the HeLa cell lines are reported. MTT assay demonstrates their cytotoxicity against the HeLa cell lines with the IC50 values of 1.35 and 1.56 µM, respectively, and the cytotoxicity profiles indicate that the HeLa cell lines show more activity than the fibroblast cells. Trypan blue assay highlights significant damage on the HeLa cell lines with a pronounced reduction on their clonogenicity. AO/EB staining shows marked morphologic signs of apoptosis in a dose-dependent manner and the LDH and DNA laddering assays also lend support to the cytotoxicity of the complexes. The molecular docking study reveals that the complexes interact with DNA through hydrogen bonding. The TD-DFT energy-optimized structures of the complexes show that the platinum(II) center has a slightly distorted square-planar geometry. The TD-DFT modelled LUMOs receive major contributions from the platinum d-orbitals, while the HOMOs are delocalized largely on the anthracenyl- and pyrenyl ligands, resulting in the LMCT transition at 352 nm. The structural, bonding, electronic, and optical properties of the complexes 1 and 2 reported in the present work and that of [Pt(AIP)(phen)](PF6)2 (3) and [Pt(PIP)(bpy)](PF6)2 (4), reported by us recently, and the approved drugs cisplatin, carboplatin, and oxaliplatin are described in the light of the optimized geometries, ΔEHOMO-LUMO, polarizability (α), hyperpolarizability (β), Mulliken negativities, and dipole moments computed from the ab initio and DFT computational studies.Graphical abstract: The synthesis of Pt(II) complexes of anthracene- and pyrene-appended imidazophenanthroline ligands and their in vitro cytotoxicity against fibroblast cells and HeLa cell lines are reported. The DFT computational study of the complexes and cisplatin, carboplatin, and oxaliplatin are described in search of the ligand design features for the development of new Pt-drugs. [ABSTRACT FROM AUTHOR]

AbstractEvidence indicates that workshop training, personalized feedback, and individual consultation can increase competence in motivational interviewing (MI) among highly motivated and skilled substance abuse counselors. Little is known, however, about the translational value of these training strategies for counselors with fewer counseling skills and less stated motivation to learn MI. This study presents evidence from a randomized, controlled trial of 129 behavioral health providers assigned to receive workshop training and enrichments to learn MI. A diverse group of Air Force behavioral health providers working in substance abuse treatment programs were trained in MI and subsequently observed in clinical sessions at 4, 8 and 12 months after training. Results indicate that training was effective in increasing the skill level of these clinicians; however, these gains had decreased by the 4-month follow-up point. Training enrichments in the form of personalized feedback and consultation phone calls did not have an expected, additive effect on clinician skill level. The results of this study lend support to the hypothesis that a greater investment of resources and incentives may be necessary to achieve gains in MI skills for counselors with relatively lower baseline skills than those commonly participating in research studies. [ABSTRACT FROM AUTHOR]

[Display omitted] • Substituent effect on the physicochemical, optical, and anti-microbial characteristics is evaluated in benzylidene anilines. • Spectral, DFT, Docking, and in vitro studies account for the substituent effects. • Conjugation in p -X-C 6 H 4 -CH = N-C 6 H 4 - p -Me enables the ICT in the molecules. • Nitro substituent better influences the characteristics in the molecules. Substituted benzylidene anilines forming donor- π -acceptor (D- π -A) molecular systems are the models of molecular mesogenic cores for NLO applications. The effect of the benzylidene substituents on the sensitivity of the electronic properties of the azomethine C N group in the substituted benzylidene anilines p -X-C 6 H 4 -CH = N-C 6 H 4 - p -Me is investigated by experimental and theoretical studies. Three benzylidene anilines are synthesized from p -toluidine and para substituted benzaldehydes and are characterized by FT-IR and NMR spectra. Density functional theory (DFT) calculations are employed to investigate the structural and electronic featural changes incurred by the benzylidene substituent from their optimized geometry, Mulliken values, and FMOs. Since this type of mesogenic cores exhibit enhanced nonlinear optical behavior, their molecular NLO properties are evaluated from the DFT calculations. The effect of the substituents on the photophysical characteristics of the molecules are studied from the experimental and theoretical absorption and emission spectra of the compounds. The biological activity of these Schiff bases is probed for their in vitro antibacterial activities and for their molecular binding dynamics with falcipian 2 and 3. [ABSTRACT FROM AUTHOR]

The article discusses a study that explores the preventability in the diagnostic delays of colorectal cancer (CRC) using a mixed quantitative-qualitative approach. The mixed-method approach was made up of quantitative electronic health record (EHR) reviews of CRC-related diagnostic processes for all cases. It concludes that postreferral colonoscopy delays in CRC are preventable and suggests that the mixed-methodology used in the study may be useful to identify areas needing improvement.

We report the discovery of the transiting hot Jupiter KPS-1b. This exoplanet orbits a V = 13.0 K1-type main-sequence star every 1.7 days, has a mass of MJup and a radius of RJup. The discovery was made by the prototype Kourovka Planet Search (KPS) project, which used wide-field CCD data gathered by an amateur astronomer using readily available and relatively affordable equipment. Here we describe the equipment and observing technique used for the discovery of KPS-1b, its characterization with spectroscopic observations by the SOPHIE spectrograph and with high-precision photometry obtained with 1 m class telescopes. We also outline the KPS project evolution into the Galactic Plane eXoplanet survey. The discovery of KPS-1b represents a new major step of the contribution of amateur astronomers to the burgeoning field of exoplanetology. [ABSTRACT FROM AUTHOR]

We present transmission spectroscopy of the warm Saturn-mass exoplanet WASP-39b made with the Very Large Telescope FOcal Reducer and Spectrograph (FORS2) across the wavelength range 411–810 nm. The transit depth is measured with a typical precision of 240 parts per million (ppm) in wavelength bins of 10 nm on a V = 12.1 mag star. We detect the sodium absorption feature (3.2σ) and find evidence of potassium. The ground-based transmission spectrum is consistent with Hubble Space Telescope (HST) optical spectroscopy, supporting the interpretation that WASP-39b has a largely clear atmosphere. Our results demonstrate the great potential of the recently upgraded FORS2 spectrograph for optical transmission spectroscopy, with which we obtained HST-quality light curves from the ground. [ABSTRACT FROM AUTHOR]