Prevalence of new psychoactive substances and drugs of abuse in the hair of individuals diagnosed with substance use disorder: Polydrug and emerging pattern of consumption.

People diagnosed with substance use disorder (SUD) might represent a high-risk subpopulation for New Psychoactive Drugs (NPS) consumption, and hair analysis offers a unique perspective to assess drug prevalence in this population. The present study aims to assess the prevalence of NPS and their co-consumption with traditional drugs of abuse (DoA) in individuals diagnosed with SUD. Hair samples from patients under care at the addiction treatment service of Bologna, Italy, for a diagnosed SUD, were collected during 2023 and analyzed by ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS/MS), using a previously validated method.

Borophene nanoclusters: Energetics and structures from analytical potentials.

Boron shows a variety of properties, determining a chemistry rich and complementary to that of carbon, the neighbor atom in the Periodic Table. In this work, we investigated the strength and nature of the interaction involving B12 or B36 monomer, which represent molecular prototypes of borophene, the two-dimensional allotrope of elemental boron. For the representation of the intermolecular interaction, we developed new potential energy surfaces (PESs) that are based on accurate ab initio or density functional theory data.

Separation of oxygen from nitrogen using a graphdiyne membrane: a quantum-mechanical study.

Efficient separation of oxygen and nitrogen from air is a process of great importance for many industrial and medical applications. Two-dimensional (2D) membranes are very promising materials for separation of gases, as they offer enhanced mass transport due to their smallest atomic thickness. In this work, we examine the capacity of graphdiyne (GDY), a new 2D carbon allotrope with regular subnanometric pores, for separating oxygen (O) from nitrogen (N).

Revisiting Numerical Solutions of Weakly Bound Noble Gases' Vibrational Energy Levels Modeled by the Improved Lennard-Jones Potential.

We revisit the numerical solutions of vibrational eigenstates of weakly bound homonuclear and heteronuclear noble gas pairs by applying a Fortran program based on the Numerov method. The harmonic, Lennard-Jones (LJ), Morse, Tang-Toennies (TT), and Improved Lennard-Jones (ILJ) potential models have been implemented to represent the potential energy curves (PECs). The obtained vibrational energies spectrum was tested on the experimental data and accurate ab initio calculations at CCSD(T)/CBS level.