Introduction: Concerns about potential side effects remain a barrier to uptake of Food and Drug Administration (FDA)-approved smoking cessation pharmacotherapy [i.e., varenicline, bupropion, nicotine replacement therapy (NRT)].
View Article and Find Full Text PDFPhys Chem Chem Phys
November 2024
With increasing cannabis potency, increasing variety of methods of cannabis use, and lower perceived risk of cannabis use, it is increasingly important clinicians who work with adolescents remain up-to-date on the latest literature regarding cannabis use and its associated outcomes. Adolescent cannabis use is associated with chronic cognitive, psychosocial, psychiatric, and physical outcomes. Clinicians working in this field should be able to recognize cannabis use disorder, understand how adolescent cannabis use can impact the developing mind, and have informed discussions with patients and families regarding risks of use.
View Article and Find Full Text PDFBackground: Most adult daily smokers try their first cigarette during adolescence. Attention-Deficit Hyperactivity Disorder (ADHD) in adolescents is associated with increased risk for cigarette smoking. The impact of ADHD symptoms on smoking cessation among adolescents has been less well-studied.
View Article and Find Full Text PDFWith increasing cannabis potency, increasing variety of methods of cannabis use, and lower perceived risk of cannabis use, it is increasingly important clinicians who work with adolescents remain up-to-date on the latest literature regarding cannabis use and its associated outcomes. Adolescent cannabis use is associated with chronic cognitive, psychosocial, psychiatric, and physical outcomes. Clinicians working in this field should be able to recognize cannabis use disorder, understand how adolescent cannabis use can impact the developing mind, and have informed discussions with patients and families regarding risks of use.
View Article and Find Full Text PDFThe enhanced spin-orbit coupling necessary for phosphorescence is thought to be due to the halogen bonding that is present in the all-organic crystalline systems. To elucidate the underlying mechanism, the electronic and optical properties of purely organic phosphor candidates are investigated using density functional theory calculations. The unit cell structure of a known organic phosphor containing bromine is used to validate the accuracy of the computational methodology.
View Article and Find Full Text PDFMultiple studies have explored using cage silsesquioxanes (SQs) as backbone elements in hybrid polymers motivated by their well-defined structures and physical and mechanical properties. As part of this general exploration, we report unexpected photophysical properties of copolymers derived from divinyl double decker (DD) SQs, [vinyl(Me)Si(O ) ][PhSiO ] [(O ) Si(Me)vinyl] (vinylDDvinyl). These copolymers exhibit strong emission red-shifts relative to model compounds, implying unconventional conjugation, despite vinyl(Me)Si(O-) siloxane bridges.
View Article and Find Full Text PDFTo study the potential of plumbene as a dilute magnetic semiconductor, we computationally investigate the structural, electronic, and magnetic properties of 4d transition metal (TM) doped plumbene using density functional theory (DFT). These calculations show that Zr, Nb, Mo, Tc-doped plumbene systems are magnetic while no magnetic solution was found for Y, Ru, Rh, and Pd-doped cases. We also calculate the magnetic couplings between two TM impurities in the system with an impurity concentration of less than 2%.
View Article and Find Full Text PDFRecently, a synthesized two-dimensional layer structured material, so-called "plumbene", has attracted research interests because of its sizeable spin-orbit coupling. To study the potential of this material as a dilute magnetic semiconductor, we computationally investigate the structure, electronic, and magnetic properties of 3d transition metal (TM) doped plumbene using density functional theory (DFT). These calculations show that Ti, V, Cr, Mn, Fe, and Co-doped plumbene systems are magnetic while no magnetic solution was found for Sc and Ni.
View Article and Find Full Text PDFPhys Chem Chem Phys
January 2019
To identify reliable molecular design principles for energy level tuning in donor/acceptor conjugated polymers (CPs), we studied the governing factors by means of ab initio calculations based on density-functional theory (DFT). We investigated a series of CPs in which we independently and systematically varied the electron withdrawing power of the acceptor unit and the electron donating power of the donor unit, while maintaining the same conjugated chain conformation. We observed that the introduction of a stronger acceptor unit, while keeping the same donor unit in the CP, lowers the LUMO level, but leaves the HOMO level almost unchanged.
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