1,720,962 research outputs found
TRANSPUTER-BASED PARALLEL SYSTEM FOR ACQUISITION AND ONLINE ANALYSIS OF SINGLE-FIBER ELECTROMYOGRAPHIC SIGNALS
No full textMolecular dynamics simulation of a model oligomer for poly(N-isopropylamide) in water
No full textMolecular dynamics (MD) has been used to simulate a dilute aqueous solution of a 50-units oligomer model for the thermoresponsive
polymer poly(N-isopropylacrylamide) at 300 and 310 K, i.e., below and above its lower critical solution temperature
(LCST) in water. Statistical analyses of the system trajectories show that at 310 K the oligomer exhibits a more compact conformation
than at 300 K, in qualitative agreement with experiments, and that it is surrounded by a smaller number of first-hydrationshell
water molecules
Sodium bis-(2-ethylhexyl) sulfosuccinate sepf-aggregation in vacuo: Molecular Dynamics simulation
No full textMolecular dynamics (MD) simulations were conducted for systems in vacuo consisting of n AOT
anions (bis(2-ethylhexyl)sulfosuccinate ions) and n 1 or n Na+ ions up to n = 20. For n = 15,
positively charged systems with Li+, K+, and Cs+ cations were also considered. All systems were
observed to form reverse micelle-like aggregates whose centre is occupied by cations and polar
heads in a very compact solid-like way, while globally the aggregate has the form of an elongated
and rather flat ellipsoid. Various types of statistical analyses were carried out on the systems to
enlighten structural and dynamical properties including gyration radius, atomic pair correlation
functions, atomic B-factor and moment of inertia tensor. For completeness and comparison the
stability of reverse micelle is tested in the case of neutral n = 20 system in CCl4 solution
Molecular dynamics simulation of small water-binding cavitands
No full textAnalyses of 20-ns simulations of aqueous solutions of the recently synthesized cavitand benzotriborneol (BTB) show that this molecule binds a single water molecule within its hydrophilic cavity for an average time interval of ca. 750 ps, that is 370 times longer than the permanence time of water around borneol. Moreover, this time becomes three times longer in a 99.8% (V/V) chloroform–water solution, while it decreases for BTB methylether derivatives in water, becoming 279, 36 or 119 ps when one, two or all three hydroxyl hydrogen atoms are replaced by methyl groups, respectively
A Molecular Dynamics study of structure, stability and fragmentation patterns of Sodium bis(2-ethylhexyl)sulfosuccinate positively charged aggregates in vacuo
No full textPositively charged supramolecular aggregates formed in vacuo by n AOTNa
(sodium bis(2-ethylhexyl)sulfosuccinate) molecules and nc additional sodium ions, i.e.
[AOTnNan+nc
]nc, have been investigated by molecular dynamics (MD) simulations for
n = 1–20 and nc = 0–5. Statistical analysis of physical quantities like gyration radii, atomic
B-factors and moment of inertia tensors provides detailed information on their structural and
dynamical properties. Even for nc = 5, all stable aggregates show a reverse micelle-like structure
with an internal solid-like core including sodium counterions and surfactant polar heads
surrounded by an external layer consisting of the surfactant alkyl chains. Moreover, the aggregate
shapes may be approximated by rather flat and elongated ellipsoids whose longer axis increases
with n and nc. The fragmentation patterns of a number of these aggregates have also been
examined and have been found to markedly depend on the aggregate charge state. In one
particular case, for which experimental findings are available in the literature, a good
agreement is found with the present fragmentation data
Sodium bis(2-ethylhexyl)sulfosuccinate self-aggregation in vacuo: molecular dynamics simulation
No full textMolecular dynamics (MD) simulations were conducted for systems in vacuo consisting of n AOT
anions (bis(2-ethylhexyl)sulfosuccinate ions) and n 1 or n Na+ ions up to n = 20. For n = 15,
positively charged systems with Li+, K+, and Cs+ cations were also considered. All systems were
observed to form reverse micelle-like aggregates whose centre is occupied by cations and polar
heads in a very compact solid-like way, while globally the aggregate has the form of an elongated
and rather flat ellipsoid. Various types of statistical analyses were carried out on the systems to
enlighten structural and dynamical properties including gyration radius, atomic pair correlation
functions, atomic B-factor and moment of inertia tensor. For completeness and comparison the
stability of reverse micelle is tested in the case of neutral n = 20 system in CCl4 solution
Molecular dynamics simulation of small water-binding cavitands
No full textAnalyses of 20-ns simulations of aqueous solutions of the recently synthesized cavitand benzotriborneol (BTB) show that this molecule binds a single water molecule within its hydrophilic cavity for an average time interval of ca. 750 ps, that is 370 times longer than the permanence time of water around borneol. Moreover, this time becomes three times longer in a 99.8% (V/V) chloroform–water solution, while it decreases for BTB methylether derivatives in water, becoming 279, 36 or 119 ps when one, two or all three hydroxyl hydrogen atoms are replaced by methyl groups, respectively
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
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