scholarly journals Revisiting the Disorder–Order Transition in 1-X-Adamantane Plastic Crystals: Rayleigh Wing, Boson Peak, and Lattice Phonons

2021 ◽  
Vol 125 (13) ◽  
pp. 7384-7391
Author(s):  
Tommaso Salzillo ◽  
Alberto Girlando ◽  
Aldo Brillante
Keyword(s):  
Boson Peak ◽  
Order Transition ◽  
Plastic Crystals

Low-temperature thermal conductivity and boson peak in the glassy g-As2S3

2016 ◽  
Vol 39 (0) ◽  
pp. 66-72
Author(s):  
В. Міца ◽  
О. Фегер ◽  
С. Петрецький ◽  
Р. Голомб ◽  
В. Ткач
Keyword(s):  
Thermal Conductivity ◽  
Low Temperature ◽  
Boson Peak

scholarly journals Boson peak and structural heterogeneity in ternary SiO 2 ‐Al 2 O 3 ‐B 2 O 3 glasses

2021 ◽  
Author(s):  
Mariana Fatobene Ando ◽  
Sindy Fuhrmann ◽  
Zhiwen Pan ◽  
Bruno Poletto Rodrigues ◽  
Tatsuya Mori ◽  
...  
Keyword(s):  
Structural Heterogeneity ◽  
Boson Peak

scholarly journals Terahertz and Microwave Optical Properties of Single-Crystal Quartz and Vitreous Silica and the Behavior of the Boson Peak

2021 ◽  
Vol 11 (15) ◽  
pp. 6733
Author(s):  
Mira Naftaly ◽  
Andrew Gregory
Keyword(s):  
Single Crystal ◽  
Silica Glass ◽  
Broad Band ◽  
Peak Frequency ◽  
Vitreous Silica ◽  
Peak Height ◽  
Fused Silica ◽  
Boson Peak ◽  
Single Crystal Quartz ◽  
Crystal Quartz

Z-cut single-crystal quartz and vitreous silica (silica glass or fused silica) were evaluated for use as reference materials for terahertz and microwave measurements of complex permittivity, with Z-cut quartz confirmed as being suitable. Measurements of refractive indices and absorption coefficients for o-ray and e-ray in quartz and for vitreous silica are reported at frequencies between 0.2 and 6 THz and at 36 and 144 GHz, and compared with data reported in the literature. A previously unreported broad band was seen in the extraordinary absorption of quartz. The Boson peak in silica glass absorption was examined, and for the first time, two negative relationships have been observed: between the refractive index and the Boson peak frequency, and between the Boson peak height and its frequency.

scholarly journals Boson peak in ultrathin alumina layers investigated with neutron spectroscopy

2020 ◽  
Vol 2 (2) ◽  
Author(s):  
D. L. Cortie ◽  
M. J. Cyster ◽  
T. A. Ablott ◽  
C. Richardson ◽  
J. S. Smith ◽  
...  
Keyword(s):  
Boson Peak ◽  
Neutron Spectroscopy

scholarly journals Predicting gas selectivity in organic ionic plastic crystals by free energy calculations

RSC Advances ◽  
2021 ◽  
Vol 11 (32) ◽  
pp. 19623-19629
Author(s):  
Vinay S. Kandagal ◽  
Jennifer M. Pringle ◽  
Maria Forsyth ◽  
Fangfang Chen
Keyword(s):  
Free Energy ◽  
Gas Separation ◽  
Free Energy Calculations ◽  
Free Energy Calculation ◽  
Energy Calculation ◽  
Plastic Crystal ◽  
Plastic Crystals ◽  
New Type ◽  
Gas Molecules ◽  
Gas Selectivity

The free energy calculation shows the different free energy changes of the adsorption and absorption of gas molecules into an organic ionic plastic crystal, successfully predicting the gas selectivity of this new type of gas separation material.

scholarly journals Self-Assembly of Shape-Tunable Oblate Colloidal Particles into Orientationally Ordered Crystals, Glassy Crystals and Plastic Crystals

Soft Matter ◽  
2021 ◽  
Author(s):  
Jiawei Lu ◽  
Xiangyu Bu ◽  
Xinghua Zhang ◽  
Bing Liu
Keyword(s):  
Crystal Structures ◽  
Self Assembly ◽  
Colloidal Particles ◽  
Building Blocks ◽  
Fundamental Question ◽  
The Self ◽  
Plastic Crystals ◽  
Self Assembled ◽  
Glassy Crystals ◽  
The Relationship

The shapes of colloidal particles are crucial to the self-assembled superstructures. Understanding the relationship between the shapes of building blocks and the resulting crystal structures is an important fundamental question....

scholarly journals Deciphering the Role of Residues Involved in Disorder-To-Order Transition Regions in Archaeal tRNA Methyltransferase 5

Genes ◽  
2021 ◽  
Vol 12 (3) ◽  
pp. 399
Author(s):  
Ambuj Srivastava ◽  
Dhanusha Yesudhas ◽  
Shandar Ahmad ◽  
M. Michael Gromiha
Keyword(s):  
Three Dimensional ◽  
Md Simulations ◽  
Order Transition ◽  
Free Form ◽  
Wild Type ◽  
Intrinsically Disordered ◽  
Intrinsically Disordered Regions ◽  
Type Complex ◽  
In The Wild ◽  
Trna Methyltransferase

tRNA methyltransferase 5 (Trm5) enzyme is an S-adenosyl methionine (AdoMet)-dependent methyltransferase which methylates the G37 nucleotide at the N1 atom of the tRNA. The free form of Trm5 enzyme has three intrinsically disordered regions, which are highly flexible and lack stable three-dimensional structures. These regions gain ordered structures upon the complex formation with tRNA, also called disorder-to-order transition (DOT) regions. In this study, we performed molecular dynamics (MD) simulations of archaeal Trm5 in free and complex forms and observed that the DOT residues are highly flexible in free proteins and become stable in complex structures. The energetic contributions show that DOT residues are important for stabilising the complex. The DOT1 and DOT2 are mainly observed to be important for stabilising the complex, while DOT3 is present near the active site to coordinate the interactions between methyl-donating ligands and G37 nucleotides. In addition, mutational studies on the Trm5 complex showed that the wild type is more stable than the G37A tRNA mutant complex. The loss of productive interactions upon G37A mutation drives the AdoMet ligand away from the 37th nucleotide, and Arg145 in DOT3 plays a crucial role in stabilising the ligand, as well as the G37 nucleotide, in the wild-type complex. Further, the overall energetic contribution calculated using MMPBSA corroborates that the wild-type complex has a better affinity between Trm5 and tRNA. Overall, our study reveals that targeting DOT regions for binding could improve the inhibition of Trm5.

scholarly journals Reversible colossal barocaloric effects near room temperature in 1-X-adamantane (X=Cl, Br) plastic crystals

2021 ◽  
Vol 23 ◽  
pp. 101023
Author(s):  
Araceli Aznar ◽  
Philippe Negrier ◽  
Antoni Planes ◽  
Lluís Mañosa ◽  
Enric Stern-Taulats ◽  
...  
Keyword(s):  
Room Temperature ◽  
Plastic Crystals
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