Search results for "model."

A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex

2014

The photophysical and DNA-binding properties of the cationic zinc(II) complex of 5-triethylammonium methyl salicylidene ortho-phenylenediiminato (ZnL 2 + ) were investi- gated by a combination of experimental and theoretical methods. DFT calculations were performed on both the ground and the first excited states of ZnL 2 + and on its possi- ble mono- and dioxidation products, both in vacuo and in selected solvents mimicked by the polarizable continuum model. Comparison of the calculated absorption and fluores- cence transitions with the corresponding experimental data led to the conclusion that visible light induces a two-elec- tron photooxidation process located on the phenylenediimi- nato…

First trap-assisted decay spectroscopy of the $$^{81}$$Ge ground state

2022

AbstractThe $$\beta $$ β -delayed $$\gamma $$ γ spectroscopy of $$^{81}$$ 81 As has been performed using a purified beam of $$^{81}$$ 81 Ge $$(9/2^+)$$ ( 9 / 2 + ) ground state at the Ion Guide Isotope Separator On-Line facility (IGISOL). The $$^{81}$$ 81 Ge$$^+$$ + ions were produced using proton-induced fission of $$^{232}$$ 232 Th and selected with the double Penning trap JYFLTRAP for the post-trap decay spectroscopy measurements. The low-spin $$(1/2^+)$$ ( 1 / 2 + ) isomeric-state ions $$^{81m}\hbox {Ge}^+$$ 81 m Ge + were not observed in the fission products. The intrinsic half-life of the $$^{81}$$ 81 Ge ground state has been determined as $$T_{1/2}=6.4(2)~\hbox {s}$$ T 1 / 2 = 6.4 ( …

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

2020

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind,…

Remote Sensing of 3-D Geometry and Surface Moisture of a Peat Production Area Using Hyperspectral Frame Cameras in Visible to Short-Wave Infrared Spe…

2016

Miniaturized hyperspectral imaging sensors are becoming available to small unmanned airborne vehicle (UAV) platforms. Imaging concepts based on frame format offer an attractive alternative to conventional hyperspectral pushbroom scanners because they enable enhanced processing and interpretation potential by allowing for acquisition of the 3-D geometry of the object and multiple object views together with the hyperspectral reflectance signatures. The objective of this investigation was to study the performance of novel visible and near-infrared (VNIR) and short-wave infrared (SWIR) hyperspectral frame cameras based on a tunable Fabry–Pérot interferometer (FPI) in measuring a 3-D digital sur…

Understanding the Interactions of Guanine Quadruplexes with Peptides as Novel Strategies for Diagnosis or Tuning Biological Functions

2023

Guanine quadruplexes (G4s) are nucleic acid structures exhibiting a complex structural behavior and exerting crucial biological functions, in both cells and viruses. The specific interactions of peptides with G4s, as well as the understanding of the factors driving the specific recognition, are important for the rational design of both therapeutic and diagnostic agents. In the present minireview, we examine the most important studies dealing with the interactions between G4s and peptides, highlighting the strengths and limitations of the present analytic approaches. We also show how the combined use of high-level molecular simulation techniques and experimental spectroscopy represents the b…

gA-driven shapes of electron spectra of forbidden β decays in the nuclear shell model

2017

The evolution of the shape of the electron spectra of 16 forbidden β− decays as a function of gA was studied using the nuclear shell model in appropriate single-particle model spaces with established, well-tested nuclear Hamiltonians. The β spectra of 94Nb(6+)→94Mo(4+) and 98Tc(6+)→98Ru(4+) were found to depend strongly on gA, which makes them excellent candidates for the determination of the effective value of gA with the spectrum-shape method (SSM). A strong gA dependence is also seen in the spectrum of 96Zr(0+)→96Nb(6+). This decay could be used for determining the quenching of gA in sixth-forbidden decays in the future, when the measurement of the spectrum becomes experimentally feasibl…

Modelli statistici per la rilevazione e l’analisi della spesa turistica

2010

Remodeling Pattern of Spinal Canal after Full Endoscopic Uniportal Lumbar Endoscopic Unilateral Laminotomy for Bilateral Decompression: One Year Repe…

2022

Objective: There is limited literature on repetitive postoperative MRI and clinical evaluation after Uniportal Lumbar Endoscopic Unilateral Laminotomy for Bilateral Decompression. Methods: Clinical visual analog scale, Oswestry Disability Index, McNab’s criteria evaluation and MRI evaluation of the axial cut spinal canal area of the upper end plate, mid disc and lower end plate were performed for patients who underwent single-level Uniportal Lumbar Endoscopic Unilateral Laminotomy for Bilateral Decompression. From the evaluation of the axial cut MRI, four types of patterns of remodeling were identified: type A: continuous expanded spinal canal, type B: restenosis with delayed expansio…

Studying the Cognitive Map of the US States: Ideology and Prosperity Stereotypes Predict Interstate Prejudice

2018

What are the spontaneous stereotypes that U.S. citizens hold about the U.S. states? We complemented insights from theory-driven approaches to this question with insights from a novel data-driven approach. Based on pile sorting and spatial arrangement similarity ratings for the states, we computed two cognitive maps of the states. Based on ratings for the states on ∼20 candidate dimensions, we interpreted the dimensions that spanned the two maps (Studies 1 and 2). Consistent with the agency/socioeconomic success, conservative-progressive beliefs, and communion (ABC) model of spontaneous stereotypes, these dimensions that participants spontaneously used to rate the states’ similarity included…

Mākslas vingrošanas elementu ar priekšmetiem apguves iespējas sporta stundās pamatskolā

2018

Diplomdarba tēma: “Mākslas vingrošanas elementu ar priekšmetiem apguves iespējas sporta stundās pamatskolā” Pētījuma mērķis: teorētiski analizēt un praktiski pārbaudīt pamatskolas skolēnu iespējas apgūt mākslas vingrošanas elementus ar priekšmetiem. Lai šo mērķi sasniegtu, autore ir analizējusi zinātnieku – teorētiķu un praktiķu viedokļus par mākslas vingrošanu un iespēju to mācīt pamatskolā. Ir raksturota mērķtiecīga sporta stunda un mākslas vingrošanas mācīšanas līdzekļi. Pedagoģiski praktiskajā pētījumā autore ir izmantojusi testēšanas un matemātiskās datu apstrādes (diagrammas, vidējās vērtības noteikšana u.c.) metodes. Ir noskaidrots, ka mākslas vingrošanas elementu ar priekšmetiem apg…