Diffusion in the Presence of Twin Boundaries

2007 ◽  
Vol 263 ◽  
pp. 201-206 ◽  
Author(s):  
Vĕra Rothová

In this paper, four examples from the literature are introduced in which the presence of high density of twin boundaries could explain an anomalous diffusion behavior. (i) In the case of the grain boundary (GB) self-diffusion in nickel, leakage from the random GBs to considerably high fraction of deformation and/or annealing twins in the samples studied can be a reason for the diverse literature values of activation enthalpy. The diffusion model including participation of two types of GBs is essential for data evaluation. (ii) Segregation of Ge atoms with negligible solubility to twin boundaries and diffusion in both type A and type AB transition regime can clarify the unusual 71Ge diffusion in the Mg alloys. (iii) Anomalous diffusion of gold in polycrystalline silicon presented in the literature was discussed here. Because profiles corresponding to type AB transition regime were detected, transition from type B to type A diffusion regime could be an alternative explanation of the anomaly. (iv) Effective diffusion of the 63Ni tracer in the presence of unidirectional defects in single-crystalline β-tin might be a simple reason for the uncommon features published earlier: low activation enthalpy, high diffusion anisotropy and values of the extrapolated solid-state Ni diffusion coefficients above those in the Sn liquid phase.

2007 ◽  
Vol 25 (6) ◽  
pp. 417-427 ◽  
Author(s):  
Almudena García-Sánchez ◽  
Elena García-Pérez ◽  
David Dubbeldam ◽  
Rajamani Krishna ◽  
Sofía Calero

Monte Carlo simulations were performed to study the adsorption and diffusion of small hydrocarbons in Linde Type A zeolites as a function of their calcium/sodium ratio. The diffusion studies were focused on methane whereas the adsorption simulations were performed from methane up to pentane. The results obtained showed that an increase in the number of cations in the structure (exchange of univalent sodium ions by divalent calcium ions) led to an increase in the adsorption of linear alkanes at low and medium pressure, but caused a decrease in adsorption at the highest pressures. An increase in the amount of cations favours molecular attraction and hence results in lower mobility. At higher cation loading the ions block the windows interconnecting the LTA cages, leading to a further decrease in diffusion. Methane self-diffusion coefficients obtained from our simulations were twice as high for the Linde Type 5A zeolite as for the Linde Type 4A zeolite. These results are consistent with previous experimental studies and provide a molecular picture of the influence of the zeolite type, the amount of cations contained and their location in the structure.


2007 ◽  
Vol 130 (1) ◽  
pp. 111-116 ◽  
Author(s):  
Artem B. Mamonov ◽  
Rob D. Coalson ◽  
Mark L. Zeidel ◽  
John C. Mathai

Determining the mechanisms of flux through protein channels requires a combination of structural data, permeability measurement, and molecular dynamics (MD) simulations. To further clarify the mechanism of flux through aquaporin 1 (AQP1), osmotic pf (cm3/s/pore) and diffusion pd (cm3/s/pore) permeability coefficients per pore of H2O and D2O in AQP1 were calculated using MD simulations. We then compared the simulation results with experimental measurements of the osmotic AQP1 permeabilities of H2O and D2O. In this manner we evaluated the ability of MD simulations to predict actual flux results. For the MD simulations, the force field parameters of the D2O model were reparameterized from the TIP3P water model to reproduce the experimentally observed difference in the bulk self diffusion constants of H2O vs. D2O. Two MD systems (one for each solvent) were constructed, each containing explicit palmitoyl-oleoyl-phosphatidyl-ethanolamine (POPE) phospholipid molecules, solvent, and AQP1. It was found that the calculated value of pf for D2O is ∼15% smaller than for H2O. Bovine AQP1 was reconstituted into palmitoyl-oleoyl-phosphatidylcholine (POPC) liposomes, and it was found that the measured macroscopic osmotic permeability coefficient Pf (cm/s) of D2O is ∼21% lower than for H2O. The combined computational and experimental results suggest that deuterium oxide permeability through AQP1 is similar to that of water. The slightly lower observed osmotic permeability of D2O compared to H2O in AQP1 is most likely due to the lower self diffusion constant of D2O.


BMC Genomics ◽  
2021 ◽  
Vol 22 (1) ◽  
Author(s):  
Hüseyin Can ◽  
Sedef Erkunt Alak ◽  
Ahmet Efe Köseoğlu ◽  
Umut Şahar ◽  
Berna Bostanbaş ◽  
...  

Abstract Background Cytidine monophospho-n-acetylneuraminic acid hydroxylase (CMAH) gene associated with blood groups in cats encodes CMAH enzyme that converts Neu5Ac to Neu5Gc. Although variations in CMAH gene of pedigree cats have been revealed, the presence/lack of them in non-pedigree stray cats is unknown. Therefore, the present study aimed to investigate the variations in CMAH gene and the quantity of Neu5Ac and Neu5Gc on erythrocytes of non-pedigree stray cats (n:12) living in İzmir, Turkey. Also, the frequency of blood types was determined in 76 stray cats including 12 cats that were used for CMAH and Neu5A/Neu5Gc analysis. Results In total, 14 SNPs were detected in 5’UTR as well as in exon 2, 4, 9, 10, 11 and 12 of CMAH gene. Among these SNPs, -495 C > T in 5’UTR was detected for the first time as heterozygous in type A and AB cats, and homozygous and heterozygous in type B cats. The remaining 13 that have been detected in previous studies were also found as homozygous or heterozygous. Both Neu5Gc and Neu5Ac were detected in type A and AB cats. In type B cats, only Neu5Ac was detected. Among two type AB cats, the level of Neu5Ac was found higher in cat carrying heterozygous form (T/C) of 1392T > C. The prevalence of type B cats (67.1 %) was higher than others. Conclusions The presence of a new SNP as well as previous SNPs indicates that more variations can be found in stray cats with a more comprehensive study in the future. Also, the high prevalence of type B cats demonstrates the possible risk of neonatal isoerythrolysis among stray cats living in İzmir, Turkey.


2021 ◽  
Vol 29 ◽  
pp. 95-115
Author(s):  
Rafal Kozubski ◽  
Graeme E. Murch ◽  
Irina V. Belova

We review the results of our Monte Carlo simulation studies carried out within the past two decades in the area of atomic-migration-controlled phenomena in intermetallic compounds. The review aims at showing the high potential of Monte Carlo methods in modelling both the equilibrium states of the systems and the kinetics of the running processes. We focus on three particular problems: (i) the atomistic origin of the complexity of the ‘order-order’ relaxations in γ’-Ni3Al; (ii) surface-induced ordering phenomena in γ-FePt and (iii) ‘order—order’ kinetics and self-diffusion in the ‘triple-defect’ β-NiAl. The latter investigation demonstrated how diverse Monte Carlo techniques may be used to model the phenomena where equilibrium thermodynamics interplays and competes with kinetic effects.


2009 ◽  
Vol 283-286 ◽  
pp. 155-160
Author(s):  
Ivo Stloukal ◽  
Jiří Čermák

Self-diffusion of 110mAg has been investigated in fiber reinforced QE22 magnesium alloy matrix composite. Short Saffil fibers (97% -Al2O3 + 3% SiO2) were used as reinforcement. The diffusion measurements were carried out in the temperature interval 648 – 728 K by serial sectioning method. The volume diffusion coefficients Dv (alloy without reinforcement) and the effective diffusion coefficients Deff (alloy with reinforcement) were obtained by analysis of the penetration curves. The silver diffusion coefficient in the interface boundary matrix/Saffil Di was also estimated. The temperature dependence of volume diffusion coefficients Dv was compared with previous data measured using 65Zn in the same alloy and with literature data for Zn impurity diffusion in Mg single crystal. It was observed, that the temperature dependence of both Deff and Di was significantly non-linear in the measured temperature interval. This behavior supports previous observations with zinc diffusion in the same alloy.


Author(s):  
Nguyễn Đức Tuyến ◽  
Phạm Hữu Lư
Keyword(s):  
Type A ◽  

Bao gồm 17 nam và 18 nữ. Tuổi trung bình 47,1 ± 12,9 (17 - 68). Phát hiện bệnh do khám sức khỏe định kỳ là 5/35 trường hợp (14,3%). Triệu chứng đau ngực vào khám là 10/30 (33,3%). Triệu chứng nhược cơ là 13/30 (43,3%). Kích thước khối u nhỏ nhất 2,2 x 2,8 cm; lớn nhất là 8 x 10 cm. Thời gian phẫu thuật 120 ± 3,5 phút (45- 220). Thời gian rút dẫn lưu màng phổi trung bình 3,9 ± 2,3 ngày (2-16). Số ngày nằm viện trung bình 6,0 ± 3,4 ngày (3-24). Không có tử vong sau mổ, có một bệnh nhân phải lọc huyết tương sau mổ. Kết qủa giải phẫu bệnh u tuyến ức: 07 type A, 05 type AB, 08 type B1, 13 type B2, 02 type B3.Kết luận: điều trị bệnh lý u tuyến ức bằng phẫu thuật nội soi lồng ngực là phương pháp cóđộ an toàn, tính khả thi cao và kết quả tốt sau phẫu thuật.  


2014 ◽  
Vol 2014 ◽  
pp. 1-3 ◽  
Author(s):  
Eva Spada ◽  
Arianna Miglio ◽  
Daniela Proverbio ◽  
Maria Teresa Antognoni ◽  
Giada Bagnagatti De Giorgi ◽  
...  

Data from potential feline blood donors presented at two university blood banks in Italy were recorded. Blood typing was performed using an immunochromatographic method. Over the three years of the study 357 cats representing 15 breeds, 45.3% female and 54.7% male, with a mean age of 3.8 years were evaluated. Of these 90.5% were blood type A, 5.6% type B, and 3.9% type AB. The majority of the cats (54.6%) were European DSH (92.3% were type A, 5.1% type B, and 2.6% type AB), and 21% were Maine Coon (MCO) cats (100% blood type A). The estimated frequencies of transfusion reactions following an unmatched transfusion between DSH (donors and recipients), MCO (donor and recipients), DSH donors and MCO recipients, and MCO donors and DSH recipients were 4.8%, 0%, 0%, and 5.1% for major reactions and 7.2%, 0%, 7.7%, and 0% for minor transfusions reactions, respectively. In a population of blood donors that includes DSH and MCO the risk of transfusion reaction is between 5% and 8% if typing is not performed on donor and recipient blood. Blood typing should therefore be performed before transfusion to remove the risk of transfusion reactions due to blood type incompatibilities.


2012 ◽  
Vol 529-530 ◽  
pp. 1-6 ◽  
Author(s):  
Fu Zeng Ren ◽  
Yang Leng ◽  
Xiong Lu

ab initio simulations were employed to investigate the crystal structure of carbonated apatite (CAp). Two possible sites for the carbonate ions in the apatite lattice were considered: carbonate substituting for OH-ion (type-A) and for PO43-ion (type-B). A combined type-AB substitution was also proposed and numerous possible charge compensation mechanisms were treated. The results show that the most stable type-A CAp had its carbonate triangular plane almost parallel to c-axis, making an angle of about 2° at z = 0.46. In the most stable type-B CAp structure, the nearest Ca (2) ion was replaced by a sodium ion and the carbonate group was lying almost flat inb/c-plane. Of all the models considered, mixed substitution type-AB where two carbonate ions replacing one phosphate group and one hydroxyl group shows the most stable structure.


Author(s):  
Brian Bayly

The purpose of this chapter is to put the ideas of Chapter 11 into quantitative form. The first step is to link L0 to N and K; L0 is the arc-length of the imaginary quarter-cylinders in Figure 11. 5b, N is the material's viscosity (Pa-sec), and K is its coefficient for pressure-driven self-diffusion (m2/Pa-sec). The point emphasized in Chapter 11 is that if two migration paths exist, one curved and one straight, but both having the same length and the same variation of normal-stress components along their length, migration will be equally vigorous along the two paths. Further, the shortening rates at the source-ends of the two paths will be equal. The procedure used to find the relation of L0 to (NK)1/2 is to write the two shortening rates and equate them.


Animals ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 1129 ◽  
Author(s):  
Eva Spada ◽  
Roberta Perego ◽  
Luciana Baggiani ◽  
Elisabetta Salatino ◽  
Vito Priolo ◽  
...  

The aims of this study were to determine the prevalence of A, B and AB blood types and alloantibodies in non-pedigree cats from two regions, one in Northern and one in Southern Italy (Lombardy and Sicily, respectively). A total of 448 samples (52.0% from Northern and 48.0% from Southern Italy) were blood typed. The prevalence of A, B and AB blood types in northern and southern cats were 91.0%, 5.2%, 3.8%, and 77.2%, 12.1% and 10.7%, respectively. The prevalence of type-A blood in southern cats was significantly lower (p = 0.0001) than in northern cats, while type-B and AB blood were significantly higher (p = 0.0085 and p = 0.0051, respectively) in Southern compared to Northern Italian cats. Alloantibodies against type-A blood were found in 94.1% of type-B cats, 11.2% of type-A cats had alloantibodies against type-B blood, while no type-AB cats had alloantibodies with no significant difference between the two Italian populations. Type-AB prevalence in non-pedigree cats in Southern Italy was the highest reported in Europe. Italian type-A cats had the lowest worldwide prevalence of alloantibodies against type-B blood. These results highlight the usefulness of regional studies to report different prevalences in feline blood types and reinforce the importance of blood typing cats before transfusions and mating.


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