Remote Working Burnout: Empirical Study from TOE and Technostress Model

Work stress and burnout negatively impact the individual and companies. Remote working exacerbates these issues due to the lack of company support and social interactions. Yet, research on identifying factors contributing to stress and burnout in remote workspaces and differentiating the components of stress and burnout in this context is limited. This work presents and empirically evaluates a conceptual framework, based on the Technology – Organization – Environment framework and the technostress theory, which aims to address these gaps. In particular, the model proposed here distinguishes between technostress, work stress, and burnout. Future work to examine the model will use a survey instrument for data gathering, as well as confirmatory factor analysis and partial least squares for analysis

Influence of Structure on Optical Properties of WO3 Thin Films Deposited by Sputtering Method

In this paper we report the synthesis of WO$_{3}$ thin films and investigate the effect of the structure on their optical properties. The WO$_{3}$ thin films are coated on glass substrates from both W and WO$_{3}$ targets by the magnetron sputtering method in (Ar+O$_{2}$) plasma under different deposition temperatures, varying from room temperature to 480 \rc{}C. We also evaluate the band gap energy of WO$_{3}$ by considering the transitions between the valence and the conduction bands. This result suggests that the best choices are diagonal and allowed transitions. Based on the values of band gap energy and XRD pattern, we indicate the relationship between crystalline order and optical property and consequently, the difference in color of the samples

A comparison for donor-acceptor interactions between E(PH3)2 and NHEMe ligands (E = C to Pb) of W(CO)5 complexes using energy decomposition analysis method with natural orbitals for chemical valence theory

Quantum chemical calculations at the BP86/TZ2P+ level of theory are performed for a comparison of density functional theory (DFT) between tetrylones [(CO)5W-{E(PH3)2}] (W5-EP2) and tetrylenes [(CO)5W-{NHEMe}] (W5-NHEMe) when E = C to Pb. The EDA-NOCV results suggest that the W-E bond dissociation energies (BDEs) in tetrylone complexes increase from the lighter to the heavier homologues. The W-E bond dissociation energies (BDEs) trend in W5-EP2 comes from the increase in (CO)5W←E(PH3)2 donation and strong electrostatic attraction, and that the ligands E(PH3)2 (EP2) are strong s-donors and very weak π-donors. The W-E BDEs trend in tetrylene complexes W5-NHEMe is opposite to that of the W5-EP2 complexes which decrease from the lighter to the heavier homologues. The NHEMe ligands are strong s-donors and weak π-acceptors. NOCV pairs were used in a description of the chemical bond between the W(CO)5 fragment and the ligands in the transition-metal complexes and the results indicated that the NOCV pairs lead to very valuable description of the bonding situation of the fragment-ligand bond in complexes. Keywords. Density functional theory; Bond dissociation energies (BDEs); Energy decomposition analysis (EDA); Natural Orbitals for Chemical Valence (NOCV)

Structural Variations and Chemical Bonding in Platinum Complexes of group 14 heavier Tetrylene Homologues (Germylene – Plumbylene)

We computationally investigated the structures of Pt(II) complexes containing the heavier homologues of germylene, stannylene, and plumbylene (called heavier tetrylenes) [PtCl2-{NHEMe}] (Pt-NHE) with E = Ge – Pb using density functional theory (DFT) calculations at the BP86 level with the various basis sets def2-SVP, def2-TZVPP, and TZ2P+. The bonding situation of complexes was analyzed with charge and energy decomposition analysis methods. The results of bonding analysis showed that NHEMe ligands exhibit donor-acceptor bonds with the s lone pair electrons of heavier NHEMe donated into the vacant orbital of the metal fragment and the Pt-E bonds have PtCl2←NHEMe strong s-donation. The divalent heavier tetrylenes(II) have some degree of role as the divalent heavier tetrylones(0) character with the ligand can retain the two lone pairs at E atom. Current efforts in experimental laboratories are directed towards the synthesis of tetrylenes Pt(II) complexes from natural products, so the results in this study will provide properties and chemical bonding of complexes investigated for experimental researches

A quantum chemical computation insight into the donor-acceptor bond interaction of silver complexes with tetrylene

We computationally investigate the nature of chemical bonding from linear to bent structures of N-heterocyclic carbene-analogues of silver complexes (called tetrylene) AgCl-NHEMe (Ag-NHE) with E = C – Pb using quantum chemical calculations at the BP86 level with the various basis sets def2-SVP, def2-TZVPP, and TZ2P+. The geometry calculations find that the equilibrium structures of Ag-NHE system show major differences in the bonded orientation of NHPb ligand in Ag-NHPb compared with NHE ligands the slighter homologues Ag-NHE (E = C - Sn). The bond dissociation energy results show that the Ag-carbene bond in Ag-NHC is a strong bond and decreases from the slighter to the heavier homologues. The EDA-NOCV results indicate that the ligand NHE in complexes is strong s-donors and very weak π donor. The NOCV pairs of the bonding show small π-back donation from the Ag to the NHEMe ligands. Keywords. N-heterocyclic tetrylene, bond dissociation energy, quantum chemical calculations, bonding analysis

Safety and efficacy of fluoxetine on functional outcome after acute stroke (AFFINITY): a randomised, double-blind, placebo-controlled trial

Background Trials of fluoxetine for recovery after stroke report conflicting results. The Assessment oF FluoxetINe In sTroke recoverY (AFFINITY) trial aimed to show if daily oral fluoxetine for 6 months after stroke improves functional outcome in an ethnically diverse population. Methods AFFINITY was a randomised, parallel-group, double-blind, placebo-controlled trial done in 43 hospital stroke units in Australia (n=29), New Zealand (four), and Vietnam (ten). Eligible patients were adults (aged ≥18 years) with a clinical diagnosis of acute stroke in the previous 2–15 days, brain imaging consistent with ischaemic or haemorrhagic stroke, and a persisting neurological deficit that produced a modified Rankin Scale (mRS) score of 1 or more. Patients were randomly assigned 1:1 via a web-based system using a minimisation algorithm to once daily, oral fluoxetine 20 mg capsules or matching placebo for 6 months. Patients, carers, investigators, and outcome assessors were masked to the treatment allocation. The primary outcome was functional status, measured by the mRS, at 6 months. The primary analysis was an ordinal logistic regression of the mRS at 6 months, adjusted for minimisation variables. Primary and safety analyses were done according to the patient's treatment allocation. The trial is registered with the Australian New Zealand Clinical Trials Registry, ACTRN12611000774921. Findings Between Jan 11, 2013, and June 30, 2019, 1280 patients were recruited in Australia (n=532), New Zealand (n=42), and Vietnam (n=706), of whom 642 were randomly assigned to fluoxetine and 638 were randomly assigned to placebo. Mean duration of trial treatment was 167 days (SD 48·1). At 6 months, mRS data were available in 624 (97%) patients in the fluoxetine group and 632 (99%) in the placebo group. The distribution of mRS categories was similar in the fluoxetine and placebo groups (adjusted common odds ratio 0·94, 95% CI 0·76–1·15; p=0·53). Compared with patients in the placebo group, patients in the fluoxetine group had more falls (20 [3%] vs seven [1%]; p=0·018), bone fractures (19 [3%] vs six [1%]; p=0·014), and epileptic seizures (ten [2%] vs two [<1%]; p=0·038) at 6 months. Interpretation Oral fluoxetine 20 mg daily for 6 months after acute stroke did not improve functional outcome and increased the risk of falls, bone fractures, and epileptic seizures. These results do not support the use of fluoxetine to improve functional outcome after stroke

Stability Investigation of Ligand-Exchanged CdSe/ZnS-Y (Y = 3-Mercaptopropionic Acid or Mercaptosuccinic Acid) through Zeta Potential Measurements

Quantum dots have been considered to be promising candidates for bioapplications because of their high sensitivity, rapid response, and reliability. The synthesis of high-quality quantum dots that can be dissolved in water and other biological media is a crucial step toward their further application in biology. Starting with a one-pot reaction and the successive ionic layer adsorption and reaction (SILAR) method, we produced the CdSe/ZnS core/shell structure. Through a ligand-exchange mechanism, we coated the as-made CdSe/ZnS structure with 3-mercaptopropionic acid (MPA) or mercaptosuccinic acid (MSA). Various techniques, including photoluminescence (PL), ultraviolet-visible (UV-Vis) spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy, were utilized to characterize the ligand-coated CdSe/ZnS structure. The results show enhanced luminescence intensity, CdSe surface passivation by ZnS, and successful coating with MPA and MSA. The stability of quantum dots in solutions with different pH values was investigated by performing zeta potential measurements. The results revealed that the quantum dots shifted from displaying hydrophobic to hydrophilic behavior and could be connected with bioagents

A theoretical study for quantum chemical calculations of tungsten tetracarbonyl complexes with tetrylone ligands E(PH3)2 (E = C − Pb): a quest for understanding

Quantum chemical calculations at the BP86 level with various basis sets (SVP, TZVPP) have been carried out for transition metal complexes of carbodiphosphorane analogues (called tetrylones) E(PH3)2 with E = C, Si, Ge, Sn, Pb. The nature of the [W(CO)4-E(PH3)2] (W4-EP2) bonds was analyzed with charge method. The equilibrium structures of the tetrylone complexes W(CO)4-E(PH3)2 exhibit an interesting trend which possess for E = C, Si a trigonal bipyramidal coordination at tungsten where the tetrylone ligand occupies an equatorial position. The heavier homologues with E = Ge, Sn, Pb exhibit a square pyramidal coordination at tungsten where the tetrylone ligand is at a basal position while one phenyl group is found trans to the apical CO group which yields a hexacoordinated tungsten complex. The calculated equilibrium structures of the complexes [(CO)4W-{E(PH3)2}] show that only the carbone ligand C(PH3)2 is bonded head-on to the metal fragment in the adduct W4-CP2 which the bending angle, α, is 180.0° and the heavier homologues W4-SiP2 to W4-PbP2 have side-on bonded ligands E(PH3)2 which the bending angle, α become more acute. The theoretically predicted bond dissociation energies (BDEs) of W4-EP2 system slightly increase from W4-GeP2 (De = 46.1 kcal/mol) to W4-PbP2 (De = 48.5 kcal/mol). The strange trend has been observed for the slighter homologues with E = C, Si which exhibits the largest value BDE 54.1 kcal/mol for W4-CP2 and 50.1 kcal/mol for W4-SiP2. Analysis of the bonding situation shows that the W-E bonds have a significant contribution from (CO)4W←E(PH3)2 π-donation. This is because the energy levels of the π-type donor orbitals of W4-CP2 – W4-SnP2 are higher lying than the σ-type donor orbitals except for W4-PbP2 where the σ donor HOMO is higher in energy than the π-type donor HOMO-2. All complexes [W(CO)4-E(PH3)2] are suitable targets for synthesis which would open up completely new perspectives for experimental researchers

Structural variations and chemical bonding in platinum complexes of Group 14 heavier tetrylene homologues (germylene to plumbylene)

269-276The structures of Pt(II) complexes containing the heavier homologues of germylene, stannylene, and plumbylene [PtCl2-{NHEMe}] (Pt-NHE) with E = Ge to Pb, in which the ligand {NHEMe} retains one lone pair at the E central atom, have been computed using density functional theory calculations at the BP86 level with def2-SVP, def2-TZVPP, and TZ2P+ basis sets. The bonding of the complexes has been analyzed by charge and energy decomposition analysis methods. The results of bonding analysis show that NHEMe ligands exhibit donor-acceptor bonds with the <span style="font-family:Symbol;mso-ascii-font-family: " times="" new="" roman";mso-hansi-font-family:"times="" roman";mso-char-type:symbol;="" mso-symbol-font-family:symbol"="" lang="EN-GB"> lone pair electrons of heavier NHEMe donated into the vacant orbital of the metal fragment, and the Pt-E bonds having PtCl2←NHEMe strong -donation. The divalent heavier tetrylenes(II) have the same role as the divalent heavier tetrylones(0) character since the ligand can retain the two lone pairs at E atom. Currently experimental efforts are directed towards the synthesis of tetrylenes Pt(II) complexes from natural products. Hence, the results in this study will provide an insight into the properties and chemical bonding of complexes being synthesised. </span