Browsing by Title Artículos de revistas
Now showing items 3632-3651 of 4967
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(American Pharmaceutical Association, 1983-09-13)We have analyzed the dependence of the serotonin receptor binding affinity on the atomic net charges, superdelocalizabilities, mass, and moment of inertia in a group of indole derivatives. The approaches employed are a ...
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(2003)Voltage- and incremental charge capacity-composition curves for the electrochemical formation of intercalates LixMoS2 were analyzed at the molecular level by developing a quantum chemical model focused on the variation of ...
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(ELSEVIER SCIENCE BV, 1988)A Quantitative Structure-Activity Relationship study for a group of opiates interacting with the mu receptor was carried out. The study consisted in searching a relationship between the drug-receptor equilibrium constant ...
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(Sociedad Chilena de Quimica, 2013)This paper uses newly developed and extended quantum chemical methods in an attempt to advance the knowledge of the relationship between the variation of several local atomic descriptors of the electronic structure and the ...
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(Taylor & Francis, 2020)The understanding of closed-shell interactions has become of tremendous relevance in the ever-growing field of supramolecular chemistry. Here, we present a theoretical study in which we characterised the intermolecular ...
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(American Physical Society, 2017)The localization of light in flat-band lattices has been recently proposed and experimentally demonstrated in several configurations, assuming a classical description of light. Here we study the problem of light localization ...
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(Elsevier, 2020)This review deals with the problem of designing safer solvents for chemical transformation and chemical processes. These materials generically defined as neoteric solvents include the well known ionic liquids (ILs) and ...
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(American Physical Society, 2020)The existence of nonvanishing Bohm potentials, in the Madelung-Bohm version of the Schrodinger equation, allows for the construction of particular solutions for states of quantum particles interacting with nontrivial ...
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(Elsevier, 1997)We perform a fully quantum mechanical numerical calculation for the problem of a single electron (or excitation) propagating in an N-site one-dimensional chain in the presence of a single Holstein impurity. We compute the ...
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(Kluwer Academic Publishers, 1995-01-10)A non-empirical Quantitative Structure-Activity Relationship (QSAR) method is employed to analyze the reversible complex formation during the reaction of phenyl-N-methylcarbamates with the enzyme acetylcholinesterase. ...
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(John Wiley & Sons, Inc., 1998-09-28)A quantum-chemical structure]affinity relationship for kynurenic acid derivatives KA. acting at the GlyrNMDA site is presented. The results of this study strongly suggest that these molecules bind to this site through ...
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(John Wiley & Sons, lnc., 1990-01-30)A model for catecholamine storage in vesicles is analyzed within the ,CRI CNDO/2 approach inc1uding conlinuum solvenl crfcels. The model considers lhe approach of calionic norepinephrine (NE) 10 a positively charged ...
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(1997)This work is concerned with the quasi-diagonalization of the impulsive linear systemx′=A(t)x,x(t+k)=Bkx(t-k), where the functionA(t) is bounded and piecewise uniformly continuous, and (Bk)∞k=1is a bounded sequence of impulse ...
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(Wiley, 2017)Three major factors decrease the accuracy of the cure measurement in standard-isothermal testing using differential scanning calorimetry (DSC). First, cure occurs during the heating step. Second, data are lost during the ...
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(Nature, 2020)The southern coastline of South America is a remarkable area to evaluate how Quaternary glacial processes impacted the demography of the near-shore marine biota. Here we present new phylogeographic analyses in the pulmonate ...
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(Wiley-VCH Verlag, 2019)Atrazine is a pesticide used to control broadleaf weeds, however its wide distribution and its high persistence in the soil and in surface waters has resulted in a public and environmental health problem. Present results ...
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(BLACKWELL PUBLISHING, 2009-01-09)The brain uses massive amounts of oxygen, generating large quantities of reactive oxygen species (ROS). Because of its lipid composition, rich in unsaturated fatty acids, the brain is especially vulnerable to ROS. ...
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(BLACKWELL, 2006-07)The brain uses massive amounts of oxygen, generating large quantities of reactive oxygen species (ROS). Because of its lipid composition, rich in unsaturated fatty acids, the brain is especially vulnerable to ROS. Furthermore, ...
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(MDPI, 2021)Acidithiobacillus species are fundamental players in biofilm formation by acidophile bioleaching communities. It has been previously reported that Acidithiobacillus ferrooxidans possesses a functional quorum sensing mediated ...