Group Theory
Mostrando 1-12 de 864 artigos, teses e dissertações.
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1. Synthesis and Molecular Modeling Study of Two Bromo-Dimethoxybenzaldehydes
This work describes the synthesis, molecular structure, and packaging of the compounds 6-bromo-2,3-dimethoxybenzaldehyde (6-BRB) and 5-bromo-2,3-dimethoxybenzaldehyde (5 BRB). Characterization in the solid-state was carried out by X-ray diffraction, and the analysis of the interactions was described by the Hirshfeld surface, which helps in understanding the
Journal of the Brazilian Chemical Society. Publicado em: 2022
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2. RING CURRENT IN ANTHRACENE AND PHENANTHRENE: CORRECTION TO HÜCKEL PARAMETERS
Excessive degeneracy in the ground state of the π-electron energy levels of anthracene was removed using the Hückel method by correcting the Coulomb integral of the four central carbon atoms. A further correction to the resonance integral was proposed based on the ring-current model, which describes the π-ring current flow along the molecule’s perimeter
Química Nova. Publicado em: 2022
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3. Faith-based intervention, change of religiosity, and abstinence of substance addicts
Objective: To investigate the effects of developing religiosity on abstinence of substance abuse among recovering addicts in a faith-based and a secular-based treatment program. Methods: Religiosity of recovering addicts was measured using the 38-item Brief Multidimensional Measure of Religiousness/Spirituality at three points in time: at initiation of subs
Brazilian Journal of Psychiatry. Publicado em: 2022
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4. First-Principles Calculations of a New Semi-Conductive Carbon Allotrope Named ABF-Carbon
Carbon is an extremely versatile element and can generate a plethora of structures with distinct properties. Proposing new possible metastable allotropic structures for carbon has been the subject of increasing interest over the past few years. In this contribution, we present a new carbon allotrope, named ABF-Carbon, based on the connection of spiropentadie
J. Braz. Chem. Soc.. Publicado em: 2021-04
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5. SYNTHESIS, CHARACTERIZATION, DFT MODELING AND IN VITRO ANTIMYCOBACTERIAL ACTIVITY ASSAYS OF A SILVER(I)-ISONIAZID COMPLEX
In the present work, a silver(I) complex with the antimycobacterial drug isoniazid (inh) is described. Elemental and thermogravimetric analyses confirmed a 1:1 metal:ligand ratio for the silver-isoniazid (Ag-inh) complex with molecular composition AgC6H7N3O·NO3. Infrared (IR) analysis suggests a bidentate coordination of isoniazid to silver by the nitrogen
Quím. Nova. Publicado em: 2021-03
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6. Mechanistic Investigation of DBU-Based Ionic Liquids for Aza-Michael Reaction: Mass Spectrometry and DFT Studies of Catalyst Role
1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU)-based ionic liquids (ILs) has exhibited a high catalytic activity in the aza-Michael reactions compared to conventional catalysts and with imidazole-based ILs. In the present work DBU-based ILs showed high catalytic potential for aza-Michael addition of aromatic amines to 2-cyclohexen-1-one under solvent-free conditio
J. Braz. Chem. Soc.. Publicado em: 2020-09
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7. Neither God nor others: a qualitative study of strategies for avoiding suicide among homeless people
Abstract Introduction Drug addiction and alcoholism characterize the existential condition of most homeless people, while the risk of suicide runs in parallel. Objectives Following the Provisional Model (PM), this study aimed to explore the relationships between addiction, suicidal ideation, and religiosity among 13 homeless people, and the roles of bond
Trends Psychiatry Psychother.. Publicado em: 2020-06
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8. Theory-based training to promote breast cancer screening among women with breast cancer worries: randomized controlled trial
ABSTRACT BACKGROUND: Breast cancer worries are important determinants in relation to behavior favoring breast cancer screening. OBJECTIVE: To determine the effect of theory-based training to promote breast cancer screening among women with high and low levels of breast cancer worries. DESIGN AND SETTING: Randomized controlled trial, conducted in two fa
Sao Paulo Med. J.. Publicado em: 2020-03
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9. Gestalt contact styles in OCD patients: a controlled study
Abstract Background Obsessive-compulsive disorder is a challenging disease in terms of remission rates and treatment approaches. All theoretical approaches are needed for a better understanding. Compared to other theories, it has not been examined sufficiently from the perspective of gestalt theory in the literature. Objective To examine and compare the
Arch. Clin. Psychiatry (São Paulo). Publicado em: 2020-02
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10. Immunohistochemical assessment of symptomatic postmenopausal endometrial polyps in tamoxifen users and nonusers: a case control study
ABSTRACT BACKGROUND: Endometrial polyps are common in postmenopausal women, and the effect of tamoxifen use (a risk factor for endometrial polyps) on their pathogenesis is unclear. OBJECTIVES: To evaluate the expression of hormone receptors and markers for proliferation/apoptosis (Ki-67 and Bcl-2) in endometrial polyps in postmenopausal users and nonuser
Sao Paulo Med. J.. Publicado em: 2020-02
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11. Mood versus energy/activity symptoms in bipolar disorder: which cluster of Hamilton Depression Rating Scale better distinguishes between mania, depression, and euthymia?
Resumo Introdução Embora o transtorno bipolar (TB) seja tradicionalmente incluído entre os transtornos do humor, alguns autores acreditam que as alterações na energia e na atividade motora, em vez das alterações no humor, representam os verdadeiros sintomas cardinais na mania e na depressão. O objetivo do presente estudo foi identificar qual grupo
Trends Psychiatry Psychother.. Publicado em: 20/01/2020
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12. Social validity of a contextual behavioral science-based intervention for retirement education
Abstract The literature shows that retirement can bring both positive and negative effects. However, there are few tested interventions for preparing workers for this transition and avoiding or minimizing its negative impacts. This paper presents a study with multiple groups that examined the social validity of an intervention for retirement education ground
Psicol. Reflex. Crit.. Publicado em: 13/01/2020