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1.
Phys Chem Chem Phys ; 25(35): 24016-24021, 2023 Sep 13.
Article in English | MEDLINE | ID: mdl-37646793

ABSTRACT

Fluxional Wankel motor molecules have received considerable attention in recent years in both chemistry and nanoscience. Based on extensive first-principles theory calculations, we present herein the smallest neutral quasi-planar alkaline-earth metal-doped Wankel motor complex Cs BeB12 (BeB2@B10), which is isovalent with C2v B+13 (B3@B10+). The global minimum (GM) Cs BeB12 (1) and transition state (TS) Cs BeB12 (2) correspond to the C2v TS (4) and C2v GM (3) of B+13, respectively. Molecular dynamics simulations show that, with ten equivalent GMs and ten equivalent TSs intervals, the B10 outer ring in BeB12 (1/2) overcomes the rotational energy barrier to rotate almost freely around the BeB2 triangular core above 800 K in a rotation angle of 36° in each step. Detailed bonding analyses indicate that, in addition to the ten localized periphery B-B bonds, both Cs BeB12 (1) and Cs BeB12 (2) possess three delocalized bonding systems over the molecular framework satisfying the (4n+2) Hückel rule, making the neutral complex 2σ + π triply aromatic in nature and highly stable in thermodynamics.

2.
Zhongguo Shi Yan Xue Ye Xue Za Zhi ; 22(1): 199-203, 2014 Feb.
Article in Chinese | MEDLINE | ID: mdl-24598678

ABSTRACT

The aim of this study was to establishment of known HPA genotype platelet donor data base and carry out the platelet antigen gene typing and matching in the platelet transfusion so as to prevent the production of the antibody and to avoid the platelet transfusion refractoriness. HPA of the donors and the patients were genotyped by PCR-SSP. The platelet transfusion with the same ABO type and HPA genotypes as the patient was selected and infused if the solid-phase agglutination matching was consistent. The results showed that the distribution of HPA types in Chinese Mudanjiang area had its own characteristics. HPA-15 had the greatest heterozygosity, and then HPA-3. The effective rate was 94.4% if both the HPA types and the ABO types were coincident while the effective rate was 77.8% when only ABO types were coincident. It is concluded that the distribution of HPA types in Chinese Mudanjiang area presents genetic polymorphism. The platelet transfusion with genetic typing and matching of both HPA and ABO types is an effective way to avoid production of the antibody and platelet transfusion refractoriness.


Subject(s)
Antigens, Human Platelet/immunology , Blood Grouping and Crossmatching , Platelet Transfusion/methods , Adolescent , Adult , Antigens, Human Platelet/genetics , Female , Genotype , Humans , Male , Middle Aged , Young Adult
3.
Zhongguo Shi Yan Xue Ye Xue Za Zhi ; 20(3): 757-61, 2012 Jun.
Article in Chinese | MEDLINE | ID: mdl-22739197

ABSTRACT

This study was aimed to explore the distribution characteristics of the human platelet antigen (HPA) gene of human platelet donors and its polymorphism in Mudanjiang area of Heilongjiang Province in China, to determine platelet antigen system with clinical significance by judging the rate of incompatibility of HPA, as well as to establish a database of donors' HPA. The genotyping of 154 unrelated platelet donors was performed by means of PCR-SSP. The frequencies of gene and genotype were calculated and compared with that in other areas. The results showed that the genes 1a-17a of HPA-a were all expressed in the 154 healthy and unrelated platelet donors. Only genes 1b, 2b, 3b, 5b, 6b and 15b of HPA-b were expressed while genes 4b, 7b-14b, 16b were not expressed. Among the genotypes, aa homozygosity was predominant and HPA15 had the greatest heterozygosity, while HPA3 had lower heterozygosity. There were 23 combined types of HPA, 5 of them had a rate higher than 10%, and the frequencies of the other 18 were lower than 8%. HPA genotype frequencies showed a good consistency to Hardy-Weinberg equilibrium. It is concluded that the distribution of the allele polymorphism of HPA1-HPA17 in Mudanjiang area has its own characteristics, compared with other areas and some countries, the local HPA genotype database of platelet donors is established in Mudanjiang area, which can provide the matching donors for clinical use with immunological significance.


Subject(s)
Antigens, Human Platelet/genetics , Blood Donors , Databases, Genetic , Adolescent , Adult , Alleles , China , Female , Gene Frequency , Genotype , Heterozygote , Homozygote , Humans , Male , Middle Aged , Young Adult
4.
Wei Sheng Yan Jiu ; 35(1): 79-81, 2006 Jan.
Article in Chinese | MEDLINE | ID: mdl-16598942

ABSTRACT

OBJECTIVE: To review the changes in immune function and incidence of infectious diseases in pregnant women with iron deficiency anemia (IDA), especially marginalde-ficiency of iron. METHODS: T lymphocyte subsets level (CD3+, CD4+ and CD8+), nature kill cells activity (CD16), interleukin-2 (IL-2) and serum IgA, IgG, IgM and complement C3 were determined in 3 different wormen groups, including 69 IDA pregnant women who were diagnosed by Hemoglobin, concentrations of free erythocyte porphrin and serum ferritin from 280 pregnant women during 30-38weeka of gestation, 52 random sampling normal pregnant women and 50 no pregnant women examined before marriage. RESULTS: The prevalenoe of IDA for pregnant women is 24.6%. The average concentration of Hb for pregnant women of IDA is 102.00(6.00 g/L The level of CD3+ and CD4+ cells, the ratio of CD4+/CD8+ cells, serum IL-2 as well as IgG levels in the pregnant women were significantly lower than that of those normal pregnant women (P < 0.01, P < 0.05, P < 0.05, P < 0.01). With the decreasing extent of Hb, these significant immunological indices of pregnant women will degrease. The incidence of infectious diseases in IDA pregnant women was significantly higher than that in normal pregnant women (P < 0.05). CONCLUSION: There are significantly effects of IDA on cellular immune function and infectious disease during pregnancy. The study on effects of IDA during pregnancy on nature kill cells activity (CD16) and incidence of infectious diseases during puerperium should be continued by increasing sample's number.


Subject(s)
Anemia, Iron-Deficiency/complications , Anemia, Iron-Deficiency/immunology , Pregnancy Complications, Hematologic/immunology , Pregnancy Complications, Infectious/epidemiology , T-Lymphocyte Subsets/immunology , Adult , China/epidemiology , Female , Humans , Immunoglobulins/blood , Incidence , Killer Cells, Natural/immunology , Pregnancy , Pregnancy Complications, Infectious/etiology , Pregnancy Complications, Infectious/immunology
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