RESUMO
Advanced in situ techniques based on electrons and X-rays are increasingly used to gain insights into fundamental processes in liquids. However, probing liquid samples with ionizing radiation changes the solution chemistry under observation. In this work, we show that a radiation-induced decrease in pH does not necessarily correlate to an increase in acidity of aqueous solutions. Thus, pH does not capture the acidity under irradiation. Using kinetic modeling of radiation chemistry, we introduce alternative measures of acidity (radiolytic acidity π* and radiolytic ion product KW*), that account for radiation-induced alterations of both H+ and OH- concentration. Moreover, we demonstrate that adding pH-neutral solutes such as LiCl, LiBr, or LiNO3 can trigger a significant change in π*. This provides a huge parameter space to tailor the acidity for in situ experiments involving ionizing radiation, as present in synchrotron facilities or during liquid-phase electron microscopy.
RESUMO
Background: Despite the easy availability of coronavirus disease 2019 (COVID-19) vaccination services for healthcare workers (HCWs), some of them hesitate about receiving the vaccine. The aim of this study was to assess the factors contributing to COVID-19 vaccine hesitancy (VH) among HCWs in Iran. Methods: This cross-sectional descriptive-analytical study was conducted in 2021-2022. Participants were 551 HCWs selected through systematic random sampling from four leading university hospitals in Zanjan, Iran. A demographic questionnaire and a 36-item COVID-19 VH questionnaire were used for data collection. Data were analyzed using the SPSS software (v. 20) and through the independent-sample t-test, the one-way analysis of variance, and the multiple linear regression analysis. Findings: Participants' age mean was 34.40 ± 7.77 years and most of them were female (65.9%) and married (70.8%) and had university education (88.6%). The mean score of VH was 96.29 ± 12.88 (in the possible range of 36-180), 79.49% of participants had moderate VH, and 17.42% of them had high VH. COVID-19 VH had significant relationship with organizational role, history of chronic disease, COVID-19-related knowledge, history of COVID-19 vaccination, and history of colleagues' or relatives' death after vaccination (P < 0.05). The significant predictors of COVID-19 VH were COVID-19-related knowledge (ß = -0.113; P = 0.008) and history of COVID-19 vaccination (ß = 0.165; P < 0.001). Conclusion: COVID-19 VH among HCWs is moderate to high, nurses have the highest VH, and the significant predictors of VH are COVID-19-related knowledge and history of COVID-19 vaccination.
RESUMO
An unparalleled resolution is reported with an inelastic X-ray scattering instrument at the Cu K-edge. Based on a segmented concave analyzer, featuring single-crystal quartz (SiO2) pixels, the spectrometer delivers a resolution near 25â meV (FWHM) at 8981â eV. Besides the quartz analyzer, the performance of the spectrometer relies on a four-bounce Si(553) high-resolution monochromator and focusing Kirkpatrick-Baez optics. The measured resolution agrees with the ray-tracing simulation of an ideal spectrometer. The performance of the spectrometer is demonstrated by reproducing the phonon dispersion curve of a beryllium single-crystal.
RESUMO
A laser spectroscopic investigation of phenol...Ar(n) (n = 1-6) clusters in the first electronically excited state (S(1)) and the cationic ground state (D(0)) is reported. Resonance enhanced two-photon ionisation (R2PI) spectra have been recorded for the investigation of the S(1) state. The origins of S(1)â S(0) (S(1)0(0)) transition of phenol...Ar(n) (n = 1, 2,4-6) are all red shifted compared to the S(1)0(0) state of the monomer by 33 cm(-1), 67 cm(-1), 10 cm(-1), 20 cm(-1), 44 cm(-1), respectively. However, the origin of the phenolAr(3) cluster is blue shifted by 25 cm(-1). For the investigation of the ionic ground state photoionization efficiency (PIE) and mass-analyzed-threshold ionization (MATI) spectroscopy have been applied. The spectra of phenol...Ar(3) and phenol...Ar(4) yield values for the ionization energy (IE) of 68,077 ± 15 cm(-1) and 67,948 ± 15 cm(-1). With the combination of theoretical methods and R2PI, PIE and MATI spectroscopy, the major species present have been positively identified.
Assuntos
Argônio/química , Modelos Teóricos , Fenol/química , Estrutura Molecular , Análise EspectralRESUMO
The various dissociation thresholds of phenol(+)···Ar(3) complexes for the consecutive loss of all three Ar ligands were measured in a molecular beam using resonant photoionization efficiency and mass analyzed threshold ionization spectroscopy via excitation of the first excited singlet state (S(1)). The adiabatic ionization energy is derived as 68077 ± 15 cm(-1). The analysis of the dissociation thresholds demonstrate that all three Ar ligands in the neutral phenol···Ar(3) tetramer are attached to the aromatic ring via π-bonding, denoted phenol···Ar(3)(3π). The value of the dissociation threshold for the loss of one Ar ligand from phenol(+)···Ar(3)(3π), â¼190 cm(-1), is significantly lower than the binding energy measured for the π-bonded Ar ligand in the phenol(+)···Ar(π) dimer, D(0) = 535 ± 3 cm(-1). This difference is rationalized by an ionization-induced π â H isomerization process occurring prior to dissociation, that is, one Ar atom in phenol(+)···Ar(3)(3π) moves to the OH binding site, leading to a structure with one H-bonded and 2 π-bonded ligands, denoted phenol(+)···Ar(3)(H/2π). The dissociation thresholds for the loss of two and three Ar atoms are also reported as 860 and 1730 cm(-1). From these values, the binding energy of the H-bound Ar atom can be estimated as 870 cm(-1).
Assuntos
Argônio/química , Fenóis/química , Teoria Quântica , Cátions/química , LigantesRESUMO
A novel laser desorption system, with improved signal stability and extraordinary long lifetime, is presented for the study of jet-cooled biomolecules in the gas phase using vibrationally resolved photoionization spectroscopy. As a test substance tryptophane is used to characterize this desorption source. A usable lifetime of above 1 month (for a laser desorption repetition rate of 20 Hz) has been observed by optimizing the pellets (graphite/tryptophane, 3 mm diameter and 6 mm length) from which the substance is laser-desorbed. Additionally, the stability and signal-to-noise ratio has been improved by averaging the signal over the entire sample pellet by synchronizing the data acquisition with the rotation of the sample rod. The results demonstrate how a combination of the above helps to produce stable and conclusive spectra of tryptophane using one-color and two-color resonant two-photon ionization studies.