Depression and anxiety in social media: Jordan case study

The expression "social media" refers to a software-based platform developed for users’ benefit. People use it to gain social power, market their products, conduct online business, and share information and ideas. This digital ecosystem has become helpful in various ways, but research indicates that it does not come for free. Addiction, depression, and anxiety are some of the adverse conditions discussed in many studies. The purpose of this study is to mark if there is a relationship between using social media networks and the numbering of people with anxiety or depression. Also, by addressing the need to learn more about what makes people use social networks and how that use affects anxiety and depression in Arabic-speaking users in Jordan, we can help people from different cultures understand each other better. This research uses TAM, telepresence, and survey data from 1050 people, mainly from Jordan. The research looks at how the usage of social media is related to supposed usefulness, supposed ease of use, trust, social influence, age, gender, level of education, marital status, the time spent on the internet, preferred social media network, and perceived usefulness of SNS. AMOS 20 methods of confirmatory factor analysis (CFA), structural equation modeling (SEM), and machine learning (ML), such as SMO, ANN, random forest, and the bagging reduced error pruning tree (RepTree), were used to test the proposed model hypotheses. According to the results, the researchers found high correlations between social network usage and depression and anxiety. The use of social networking sites is also affected by how useful they are seen to be, how easy they are to use, trust, social influence, and telepresence. Also, the moderator's age, gender, level of education, marital status, amount of time spent on the internet, experience with the internet, and favorite social networks all affect how they plan to use social networks

Fluorescence Enhancement/Quenching Based on Metal Orbital Control: Computational Studies of a 6‑Thienyllumazine-Based Mercury Sensor

To understand the sensing behaviors of molecular fluorescent probes, lumazine (Lm) and 6-thienyllumazine (TLm) and their complexation with metal­(II) ions ([(L)_<i>n</i>M­(H₂O)_<i>m</i>]²⁺, M = Cd²⁺ and Hg²⁺) were examined by scalar relativistic density functional theory (DFT). A red shifting from L to [(L)_<i>n</i>M­(H₂O)_<i>m</i>]²⁺ was found. This is due to the metal affinity that stabilizes the LUMOs of [(L)_<i>n</i>M­(H₂O)_<i>m</i>]²⁺ greater than the HOMOs. Singlet excited-state structures of L and [(L)_<i>n</i>M­(H₂O)_<i>m</i>]²⁺ (M = Cd²⁺ and Hg²⁺) were fully optimized using time-dependent DFT (TDDFT). Their fluorescent emissions in aqueous solution were calculated to be 371 nm (Lm), 439 nm (cis-TLm), and 441 nm (trans-TLm), agreeing with experimental values of 380 nm for Lm and 452 nm for TLm. Theoretical support is presented for a sensing mechanism of photoinduced charge transfer of the L probe. The mechanism of the chelation-enhanced fluorescence (CHEF) and the chelating quenched fluorescence (CHQF) is explained. Fluorescence amplification (for Cd²⁺) is due to blocking of the nitrogen lone pair orbital due to the stabilizing interaction with the vacant s-orbital of the metal ion, while fluorescence quenching (Hg²⁺) results from the energy of the LUMO of the metal ion being between HOMO and LUMO of the sensor. Effects of structure rearrangements on the fluorescence spectra of the sensors are insignificant. This proposed mechanism of metal orbital controlled fluorescence enhancement/quenching suggests a development concept in the future design of fluorescent turn-on/off sensors

Theoretical Study of the Formation of Mercury (Hg²⁺) Complexes in Solution Using an Explicit Solvation Shell in Implicit Solvent Calculations

The structures and harmonic vibrational frequencies of water clusters (H₂O)_<i>n</i>, <i>n</i> = 1–10, have been computed using the M06-L/, B3LYP/, and CAM-BLYP/cc-pVTZ levels of theories. On the basis of the literature and our results, we use three hexamer structures of the water molecules to calculate an estimated “experimental” average solvation free energy of [Hg­(H₂O)₆]²⁺. Aqueous formation constants (log <i>K</i>) for Hg²⁺ complexes, [Hg­(L)_<i>m</i>(H₂O)_<i>n</i>]^{2–<i>mq</i>}, L = Cl^–, HO^–, HS^–, and S^2–, are calculated using a combination of experimental (solvation free energies of ligands and Hg²⁺) and calculated gas- and liquid-phase free energies. A combined approach has been used that involves attaching <i>n</i> explicit water molecules to the Hg²⁺ complexes such that the first coordination sphere is complete, then surrounding the resulting (Hg²⁺-L_<i>m</i>)-(OH₂)_<i>n</i> cluster by a dielectric continuum, and using suitable thermodynamic cycles. This procedure significantly improves the agreement between the calculated log <i>K</i> values and experiment. Thus, for some neutral and anionic Hg­(II) complexes, particularly Hg­(II) metal ion surrounded with homo- or heteroatoms, augmenting implicit solvent calculations with sufficient explicit water molecules to complete the first coordination sphere is requiredand adequateto account for strong short-range hydrogen bonding interactions between the anion and the solvent. Calculated values for formation constants of Hg²⁺ complexes with S^2– and SH^– are proposed. Experimental measurements of these log <i>K</i> values have been lacking or controversial

Robust Barium Phosphonate Metal–Organic Frameworks Synthesized under Aqueous Conditions

The design and discovery of three-dimensional crystalline metal–organic frameworks (MOFs) from linkers with phosphonate coordinating groups and even alkaline earth metals is largely undeveloped. Herein, we report a strategy for realizing new, stable, and robust barium phosphonate MOFs, termed Empa-1 and Empa-2. The two-dimensional (2D) Empa-1 or three-dimensional (3D) Empa-2 could be realized by way of systematically modulating the ratio of Ba2+ with a tetratopic phosphonate-based linker that was crafted to incorporate nitrogen-rich triazine units bridged by a fixed piperazine core. In addition to this synthetic approach, temperature-dependent synchrotron-radiation powder X-ray diffraction analysis demonstrated that the 2D Empa-1 undergoes an irreversible phase transition upon heating and subsequent dehydration to form the 3D Empa-2. Given the presence of uncoordinated phosphonic acid moieties within the structure of 3D Empa-2, the CO2 sorption capabilities are reported. We believe our ability to link the alkaline earth metal barium with a novel tetratopic phosphonate linker, as evidenced by the robust structures of Empa-1 and -2, paves the way for further exploration and discovery of new crystalline, porous frameworks with greater structural diversity, stability, and wide-scale practical applicability

Delocalization of a Vacancy across Two Neon Atoms Bound by the van der Waals Force

We experimentally study 2p photoionization of neon dimers (Ne-2) at a photon energy of hv = 36.56 eV. By postselection of ionization events which lead to a dissociation into Ne+ + Ne we obtain the photoelectron angular emission distribution in the molecular frame. This distribution is symmetric with respect to the direction of the charged vs neutral fragment. It shows an inverted Cohen-Fano double slit interference pattern of two spherical waves emitted coherently but with opposite phases from the two atoms of the dimer