Smd Model
Mostrando 1-12 de 22 artigos, teses e dissertações.
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1. Efficacy and safety of dexmedetomidine in maintaining hemodynamic stability in pediatric cardiac surgery: a systematic review and meta-analysis
Abstract Objectives: Dexmedetomidine (DEX) is a highly selective alpha-2 adrenergic receptor agonist, which is the main sedative in the intensive care unit. This study aims to investigate the effectiveness and adverse events of DEX in maintaining hemodynamic stability in pediatric cardiac surgery. Sources: Databases such as PubMed, Cochrane, Web of Science,
Jornal de Pediatria. Publicado em: 2022
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2. Influence of Islamic religion and spirituality on the well-being and quality of life of cancer patients: a meta-analysis and a hypothetical model of cerebral mechanisms
RESUMO Objetivo: Analisar sistematicamente dados quantitativos sobre os efeitos da religião/espiritualidade e o bem-estar/qualidade de vida de pacientes com câncer. O segundo objetivo foi levantar a hipótese de um modelo neurofisiológico da associação entre religião/espiritualidade e o cérebro. Métodos: Este estudo seguiu as recomendações do PRI
Jornal Brasileiro de Psiquiatria. Publicado em: 2022
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3. TD-DFT Analysis of the Dissymmetry Factor in Camphor
The fact that the dissymmetry lgeb (g-factor) of camphor is large has been known for decades, and the interpretation of the observed data has also been known for a long time. However, due to the ability of quantum chemical methods to describe chiroptical phenomena more appropriately, additional approaches based on these methods have been successful employed.
J. Braz. Chem. Soc.. Publicado em: 2020-03
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4. ELUCIDAÇÃO DA QUIRALIDADE INDUZIDA NA MOLÉCULA DANSILGLICINA NA COMPLEXAÇÃO COM A PROTEÍNA ALBUMINA DO SORO HUMANO (HSA)
Human serum albumin (HSA) plays an important role in the transport of a wide variety of substances, including compounds with pharmacological properties. The dansylglycine (DanG) is a fluorescent amino acid derivative specific for the site II of HSA. This work aimed to elucidate the induction of chirality in the DanG due to its bonding to the HSA. Theoretical
Quím. Nova. Publicado em: 2019-02
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5. SOLVENT SELECTION FOR CHEMICAL REACTIONS: AUTOMATED COMPUTATIONAL SCREENING OF SOLVENTS USING THE SMD MODEL
Finding the most efficient solvent for a chemical reaction can demand costly experimental procedure and the screening is usually limited to few solvents. The use of theoretical methods could accelerate the search for the best solvent, able to promote most effective kinetics and thermodynamics of a reaction. In this work, it was proposed an automated procedur
Quím. Nova. Publicado em: 2018-06
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6. Fast Screening of Solvents for Simultaneous Extraction of Furfural, 5-Hydroxymethylfurfural and Levulinic Acid from Aqueous Solution Using SMD Solvation Free Energies
Acid catalyzed decomposition of C5 and C6 sugars has been considered an important source of biomass derived chemicals. An essential step in this process is the extraction of furfural, hydroxymethylfurfural and levulinic acid from aqueous phase. In this work, a computational screening of 178 organic solvents for simultaneous extraction of these chemicals from
J. Braz. Chem. Soc.. Publicado em: 2018-02
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7. Omega-3 fatty acid supplementation as an adjunctive therapy in the treatment of chronic kidney disease: a meta-analysis
The aim of this study was to evaluate the benefits and risks of omega-3 fatty acid supplementation in patients with chronic kidney disease. A systematic search of articles in PubMed, Embase, the Cochrane Library, and reference lists was performed to find relevant literature. All eligible studies assessed proteinuria, the serum creatinine clearance rate, the
Clinics. Publicado em: 2017-01
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8. How Accurate is the SMD Model for Predicting Free Energy Barriers for Nucleophilic Substitution Reactions in Polar Protic and Dipolar Aprotic Solvents?
In the past seven years, the SMD (Solvent Model Density) method has been widely used by computational chemists. Thus, assessment on the reliability of this model for modeling chemical process in solution is worthwhile. In this report, it was investigated six anion-molecule nucleophilic substitution reactions in methanol and dipolar aprotic solvents. Geometry
J. Braz. Chem. Soc.. Publicado em: 2016-11
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9. Yoga for asthma
ABSTRACT BACKGROUND: Asthma is a common chronic inflammatory disorder affecting about 300 million people worldwide. As a holistic therapy, yoga has the potential to relieve both the physical and psychological suffering of people with asthma, and its popularity has expanded globally. A number of clinical trials have been carried out to evaluate the effects
Sao Paulo Med. J.. Publicado em: 2016-08
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10. Prediction of Phase Separation Using a Modified Regular Solution Theory and the SMD Continuum Solvation Model
It is proposed a new expression for the β parameter in the regular solution theory, using the solvation free energy concept instead of the solubility parameter. This modified regular solution theory can be applied for any liquid mixture combined with any method for solvation free energy calculation. The new approach was tested in fifteen liquid mixtures
J. Braz. Chem. Soc.. Publicado em: 2015-08
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11. A meta-analysis of the efficacy of ureteroscopic lithotripsy and extracorporeal shock wave lithotripsy on ureteral calculi
PURPOSE:To re-evaluated the clinic efficacy of ureteroscopic lithotripsy (URS) and extracorporeal shock wave lithotripsy (ESWL) on ureteral calculi with Cochrane systematic reviews in this paper.METHODS: We searched clinical randomized controlled trials and prospective controlled trials in databases such as Cochrane library, Medline, Springer, Elsevier Scien
Acta Cir. Bras.. Publicado em: 2014-05
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12. Transduction motif analysis of gastric cancer based on a human signaling network
To investigate signal regulation models of gastric cancer, databases and literature were used to construct the signaling network in humans. Topological characteristics of the network were analyzed by CytoScape. After marking gastric cancer-related genes extracted from the CancerResource, GeneRIF, and COSMIC databases, the FANMOD software was used for the min
Braz J Med Biol Res. Publicado em: 04/04/2014