Chemistry of Anthracene–Acetylene Oligomers. XXIV. Theoretical Evaluation of Molecular Strain and Interactions in Anthracene–Acetylene Cyclic Oligomers by Homodesmotic Reaction Method

2015 ◽  
Vol 88 (2) ◽  
pp. 283-291 ◽  
Author(s):  
Shinji Toyota ◽  
Kan Wakamatsu ◽  
Takahiro Kawakami ◽  
Tetsuo Iwanaga
2020 ◽  
Vol 64 (1-4) ◽  
pp. 201-210
Author(s):  
Yoshikazu Tanaka ◽  
Satoru Odake ◽  
Jun Miyake ◽  
Hidemi Mutsuda ◽  
Atanas A. Popov ◽  
...  

Energy harvesting methods that use functional materials have attracted interest because they can take advantage of an abundant but underutilized energy source. Most vibration energy harvester designs operate most effectively around their resonant frequency. However, in practice, the frequency band for ambient vibrational energy is typically broad. The development of technologies for broadband energy harvesting is therefore desirable. The authors previously proposed an energy harvester, called a flexible piezoelectric device (FPED), that consists of a piezoelectric film (polyvinylidene difluoride) and a soft material, such as silicon rubber or polyethylene terephthalate. The authors also proposed a system based on FPEDs for broadband energy harvesting. The system consisted of cantilevered FPEDs, with each FPED connected via a spring. Simply supported FPEDs also have potential for broadband energy harvesting, and here, a theoretical evaluation method is proposed for such a system. Experiments are conducted to validate the derived model.


1999 ◽  
Vol 5 (1) ◽  
pp. 90-96 ◽  
Author(s):  
V.V. Pilipenko ◽  
◽  
N.I. Dovgot'ko ◽  
S.I. Dolgopolov ◽  
A.D. Nikolaev ◽  
...  

2019 ◽  
Author(s):  
Jonas Landsgesell ◽  
Oleg Rud ◽  
Pascal Hebbeker ◽  
Raju Lunkad ◽  
Peter Košovan ◽  
...  

We introduce the grand-reaction method for coarse-grained simulations of acid-base equilibria in a system coupled to a reservoir at a given pH and concentration of added salt. It can be viewed as an extension of the constant-pH method and the reaction ensemble, combining explicit simulations of reactions within the system, and grand-canonical exchange of particles with the reservoir. Unlike the previously introduced methods, the grand-reaction method is applicable to acid-base equilibria in the whole pH range because it avoids known artifacts. However, the method is more general, and can be used for simulations of any reactive system coupled to a reservoir of a known composition. To demonstrate the advantages of the grand-reaction method, we simulated a model system: A solution of weak polyelectrolytes in equilibrium with a buffer solution. By carefully accounting for the exchange of all constituents, the method ensures that all chemical potentials are equal in the system and in the multi-component reservoir. Thus, the grand-reaction method is able to predict non-monotonic swelling of weak polyelectrolytes as a function of pH, that has been known from mean-field predictions and from experiments but has never been observed in coarse-grained simulations. Finally, we outline possible extensions and further generalizations of the method, and provide a set of guidelines to enable safe usage of the method by a broad community of users.<br><br>


Author(s):  
Sudhakar Sekar ◽  
Shee Sim May

The aim of the study is to formulate a modified release chitosan nanoparticles for the oral delivery of atorvastatin and to study the in vitro release of atorvastatin from chitosan nanoparticles. Atorvastatin-loaded chitosan nanoparticles were prepared with different concentration of cross-linking agent (glutaraldehyde) by emulsion interfacial reaction method. The formed nanoparticles were characterized in terms of size and morphological characteristics by scanning electron microscopy (SEM) and transmission electron microscope (TEM). Spherical and regular nanoparticles with the size range of 100-250nm were formed. Atorvastatin encapsulation efficiency of nanoparticles was found to be highest in ANP3, followed by ANP2 and ANP1. The in vitro release of atorvastatin was studied by membrane diffusion technique. The resulted cumulative percentage of drug released for ANP1, ANP2 and ANP3 were 60.08%, 34.81% and 20.39% respectively. Through this study, the nanoparticles preparation technique has shown to be a promising approach for enhancing the dissolution of hydrophobic drugs like atorvastatin calcium. The application of this novel delivery system offers good therapeutic potential in the management of hypercholesterolemia and dyslipidemia.


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