scholarly journals Melting temperature measurement of refractory oxide ceramics as a function of oxygen fugacity using containerless methods

2020 ◽  
Vol 103 (9) ◽  
pp. 4867-4875
Author(s):  
Can Agca ◽  
Jörg C. Neuefeind ◽  
Jake W. McMurray ◽  
Richard Weber ◽  
Alexandra Navrotsky

2020 ◽  
Vol 11 (31) ◽  
pp. 8273-8287 ◽  
Author(s):  
Luciana M. Oliveira ◽  
Adam S. Long ◽  
Tom Brown ◽  
Keith R. Fox ◽  
Gerald Weber

A comprehensive experimental and theoretical evaluation of all DNA mismatch contexts, providing an insight into the intra-molecular interactions.



Refractories ◽  
1968 ◽  
Vol 9 (11-12) ◽  
pp. 706-712
Author(s):  
I. A. Levina ◽  
�. N. Marmer ◽  
D. N. Poluboyarinov


2020 ◽  
Author(s):  
Luciana M. Oliveira ◽  
Adam S. Long ◽  
Tom Brown ◽  
Keith R. Fox ◽  
Gerald Weber

Unlike the canonical base pairs AT and GC, the molecular properties of mismatches such as hydrogen bondings and stacking interactions are strongly dependent on the identity of the neighbouring base pairs. As a result, due to the sheer number of possible combinations of mismatches and flanking base pairs, only a fraction of these have been studied in varying experiments or theoretical models. Here, we report on the melting temperature measurement and mesoscopic analysis of contiguous DNA mismatches in nearest-neighbours and next-nearest neighbour contexts. A total of 4032 different mismatch combinations, including single, double and triple mismatches were covered. These were compared with 64 sequences containing all combination of canonical base pairs in the same location under the same conditions. The mesoscopic calculation, using the Peyrard-Bishop model, was performed on the set of 4096 sequences, and resulted in estimates of on-site and nearest-neighbour interactions that can be correlated to hydrogen bonding and base stacking. Our results confirm many of the known properties of mismatches, including the peculiar sheared stacking of tandem GA mismatches. More intriguingly, it also reveals that a number of mismatches present strong hydrogen bonding when flanked on both sites by other mismatches.



2020 ◽  
Author(s):  
Luciana M. Oliveira ◽  
Adam S. Long ◽  
Tom Brown ◽  
Keith R. Fox ◽  
Gerald Weber

Unlike the canonical base pairs AT and GC, the molecular properties of mismatches such as hydrogen bondings and stacking interactions are strongly dependent on the identity of the neighbouring base pairs. As a result, due to the sheer number of possible combinations of mismatches and flanking base pairs, only a fraction of these have been studied in varying experiments or theoretical models. Here, we report on the melting temperature measurement and mesoscopic analysis of contiguous DNA mismatches in nearest-neighbours and next-nearest neighbour contexts. A total of 4032 different mismatch combinations, including single, double and triple mismatches were covered. These were compared with 64 sequences containing all combination of canonical base pairs in the same location under the same conditions. The mesoscopic calculation, using the Peyrard-Bishop model, was performed on the set of 4096 sequences, and resulted in estimates of on-site and nearest-neighbour interactions that can be correlated to hydrogen bonding and base stacking. Our results confirm many of the known properties of mismatches, including the peculiar sheared stacking of tandem GA mismatches. More intriguingly, it also reveals that a number of mismatches present strong hydrogen bonding when flanked on both sites by other mismatches.



2017 ◽  
Vol 263 ◽  
pp. 707-717 ◽  
Author(s):  
Qingyue Li ◽  
Véronique Vié ◽  
Hervé Lhermite ◽  
Etienne Gaviot ◽  
Claire Bourlieu ◽  
...  


2020 ◽  
Vol 32 (1) ◽  
pp. 171-185 ◽  
Author(s):  
Alan B. Woodland ◽  
Andrei V. Girnis ◽  
Vadim K. Bulatov ◽  
Gerhard P. Brey ◽  
Heidi E. Höfer

Abstract. Inclusions of breyite (previously known as walstromite-structured CaSiO3) in diamond are usually interpreted as retrogressed CaSiO3 perovskite trapped in the transition zone or the lower mantle. However, the thermodynamic stability field of breyite does not preclude its crystallization together with diamond under upper-mantle conditions (6–10 GPa). The possibility of breyite forming in subducted sedimentary material through the reaction CaCO3 + SiO2 = CaSiO3 + C + O2 was experimentally evaluated in the CaO–SiO2–C–O2 ± H2O system at 6–10 GPa, 900–1500 ∘C and oxygen fugacity 0.5–1.0 log units below the Fe–FeO (IW) buffer. One experimental series was conducted in the anhydrous subsystem and aimed at determining the melting temperature of the aragonite–coesite (or stishovite) assemblage. It was found that melting occurs at a lower temperature (∼1500 ∘C) than the decarbonation reaction, which indicates that breyite cannot be formed from aragonite and silica under anhydrous conditions and an oxygen fugacity above IW – 1. In the second experimental series, we investigated partial melting of an aragonite–coesite mixture under hydrous conditions at the same pressures and redox conditions. The melting temperature in the presence of water decreased strongly (to 900–1200 ∘C), and the melt had a hydrous silicate composition. The reduction of melt resulted in graphite crystallization in equilibrium with titanite-structured CaSi2O5 and breyite at ∼1000 ∘C. The maximum pressure of possible breyite formation is limited by the reaction CaSiO3 + SiO2 = CaSi2O5 at ∼8 GPa. Based on the experimental results, it is concluded that breyite inclusions found in natural diamond may be formed from an aragonite–coesite assemblage or carbonate melt at 6–8 GPa via reduction at high water activity.





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