Search results for "Polar"

Valence Topological Charge-Transfer Indices for Dipole Moments

2003

Valence topological charge-transfer (CT) indices are applied to the calculation of dipole moments. The dipole moments calculated by algebraic and vector semisums of the CT indices are defined. The combination of the CT indices allows the estimation of the dipole moments. The model is generalized for molecules with heteroatoms. The ability of the indices for the description of the molecular charge distribution is established by comparing them with the dipole moment of the valence-isoelectronic series of benzene and styrene. Two CT indices, μ v e c (vector semisum of vertex-pair dipole moments) and μ V v e c (valence μ v e c ) are proposed. μ v e c and μ V v e c are important for the predicti…

Complement proteins regulating macrophage polarisation on biomaterials

2019

[EN] One of the events occurring when a biomaterial is implanted in an host is the protein deposition onto its surface, which might regulate cell responses. When a biomaterial displays a compromised biocompatibility, distinct complement pathways can be activated to produce a foreign body reaction. In this article, we have designed different types of biomaterial surfaces to study the inflammation process. Here, we used different concentrations of (3-glycidoxypropyl)-trimethoxysilane (GPTMS), an organically-modified alkoxysilane as a precursor for the synthesis of various types of sol-gel materials functionalizing coatings for titanium implants to regulate biological responses. Our results sh…

Influence of structure on the polarizability of hydrated methane sulfonic acid clusters

2015

Abstract: The relationship between polarizability and structure is investigated in methane sulfonic acid (MSA) and in 36 hydrated MSA clusters. The polarizabilities are calculated at B3LYP and MP2 level and further partitioned into molecular contributions using classic and iterative Hirshfeld methods. The differences in the two approaches for partitioning of polarizabilities are thoroughly analyzed. The polarizabilities of the molecules are found to be influenced in a systematic way by the hydrogen bond network in the clusters, proton transfer between MSA and water molecules, and weak interactions between water molecules and the methyl group of MSA.

Study of Two-Photon Exchange via the Beam Transverse Single Spin Asymmetry in Electron-Proton Elastic Scattering at Forward Angles over a Wide Energy…

2020

We report on a new measurement of the beam transverse single spin asymmetry in electron-proton elastic scattering, $A^{ep}_{\perp}$, at five beam energies from 315.1 MeV to 1508.4 MeV and at a scattering angle of $30^{\circ} < \theta < 40^{\circ}$. The covered $Q^2$ values are 0.032, 0.057, 0.082, 0.218, 0.613 (GeV/c)$^2$. The measurement clearly indicates significant inelastic contributions to the two-photon-exchange (TPE) amplitude in the low-$Q^2$ kinematic region. No theoretical calculation is able to reproduce our result. Comparison with a calculation based on unitarity, which only takes into account elastic and $\mathrm{\pi N}$ inelastic intermediate states, suggests that there are ot…

Pitrè. Dal folklore all'antropologia

2021

Giuseppe Pitrè (1941-1916), medico e folklorista palermitano, è stato il fondatore in Italia degli studi demologici ma, più in generale, dell'antropologia. Attraverso la disamina delle sue opere, scelte tra le meno note e dibattute, e di scritti inediti, vengono messi in luce anche aspetti non convenzionali, o "privati", del medico/antropologo palermitano. Infaticabile studioso, "ideatore" della Demopsicologia, docente universitario, fondatore di riviste di ampia diffusione e di una Società di tradizioni popolari, conferenziere, politico, biografo di personaggi illustri ma anche curioso ritrattista di suoi contemporanei. Senza pretesa di esaustività, il presente lavoro presenta anche l'uomo…

Spin polarization in electrodeposited thin films of the molecule-based magnetic semiconductor Cr5.5(CN)12·11.5H2O

2013

The magnetoresistance (MR) effect of thin films of the Prussian Blue Analogue (PBA) Cr5.5(CN)12·11.5H2O, prepared by electrochemical deposition, has been measured using the standard two-point probe method. This molecule-based ferrimagnetic material, with a Tc = 240 K, exhibits MR up to 2% at 6 T and 200 K.

NORMATIVE DATA OF THE SCIP-S IN SCHIZOPHRENIA AND TYPE I BIPOLAR DISORDER

2010

Smoking and neurocognition in schizophrenia and bipolar disorder

2011

IntroductionSeveral studies have suggested that nicotine could have beneficial effects on cognitive functioning.ObjectiveTo explore the association between smoking and cognitive functioning in bipolar disorder and schizophrenia.MethodsObservational study. We analyzed data from 184 participants in 3 groups (61 healthy controls, 47 euthymic patients with bipolar-I disorder, 76 patients with clinically stable schizophrenia) assessed by a neuropsychological battery. Statistical analysis was performed comparing subgroups of smokers and non-smokers data. Both groups were demographic and clinically comparable.ResultsSmoking rate was higher in participants with bipolar disorder and schizophrenia (X…

International Consensus Group on Depression Prevention in Bipolar Disorder

2011

The conference was chaired by Mark A. Frye, MD, Department of Psychiatry, The Mayo Clinic, Rochester, Minnesota, United States. The faculty were Kyooseob Ha, MD, PhD, Department of Psychiatry, Seoul National University Bundang Hospital, Seongnam, and the Department of Psychiatry and Behavioral Science, Seoul National University College of Medicine, Seoul, Republic of Korea; Shigenobu Kanba, MD, PhD, Department of Neuropsychiatry, University of Kyushu, Fukuoka-shi, Fukuoka, Japan; Tadafumi Kato, MD, PhD, Laboratory for Molecular Dynamics of Mental Disorders, RIKEN Brain Science Institute, Hirosawa, Wako, Saitama, Japan; Susan L. McElroy, MD, Department of Psychiatry and Behavioral Sciences, …

A novel multidimensional questionnaire for the assessment of emotional dysregulation in adolescents: Reactivity, Intensity, Polarity and Stability qu…

2021

Abstract Background The failure to regulate emotions, namely emotional dysregulation (ED), is a relevant construct in adolescent psychiatry, in terms of prognostic and developmental implications. We developed and validated a novel self-report questionnaire for the assessment of ED, the RIPoSt-Y, both in clinical and non-clinical samples. Methods Items selection and subscales construction were conducted on healthy controls (n=374), while test-retest reliability was evaluated in a subsample (n=72); internal consistency was examined both in the control group and in two clinical samples, respectively including patients with Bipolar Spectrum Disorders (BSD; n=44) and ADHD (n=34). Construct, conc…