scholarly journals Theoretical evaluation of lanthanide binding tags as biomolecular handles for the organization of single ion magnets and spin qubits

2016 ◽  
Vol 3 (1) ◽  
pp. 61-66 ◽  
Author(s):  
Lorena E. Rosaleny ◽  
Alejandro Gaita-Ariño

A newly developed extension to the SIMPRE program allowed the estimation of the potential of 63 polypeptide-coordinated lanthanide structures as single ion magnets and as spin qubits.

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 ◽  
...  

1992 ◽  
Vol 57 (1) ◽  
pp. 33-45
Author(s):  
Vladimír Jakuš

A new approach to theoretical evaluation of the Gibbs free energy of solvation was applied for estimation of retention data in high-performance liquid chromatography on reversed phases (RP-HPLC). Simple and improved models of stationary and mobile phases in RP-HPLC were employed. Statistically significant correlations between the calculated and experimental data were obtained for a heterogeneous series of twelve compounds.


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