Synthesis, spectral and luminescence study, crystal structure determination and DFT calculation of binuclear palladium(II) complexes.

Binuclear palladium(II) complexes with metal-metal (d8-d8) bonding interaction were synthesized by reactions of the 1-methyl-1H-1,2,3,4-tetrazole-5-thiol (Hmtzt) or a mixture of Hmtzt and 1,3-propanediamine (1,3-pda) ligands. Complex [Pd2(µ-mtzt)4]·2CH3CN (1) was synthesized by the reaction of Pd(OAc)2 with Hmtzt dissolved in acetonitrile and complex [Pd2(µ-mtzt)2(mtzt)2(1,3-pda)] (2) was synthesized by reaction of a mixture of Hmtzt and 1,3-propanediamine (dissolved in methanol) with PdCl2 (dissolved in acetonitrile) and were identified through elemental analysis, IR, UV-Vis, 1H NMR, luminescence spectroscopy as well as single-crystal X-ray diffraction method. A single-crystal of complex 1 shows that two Pd(II) centers are linked together by four bridging tetrazole ligands providing a paddle wheel-like arrangement. Also a crystal structure of complex 2 shows that this complex possesses a symmetric structure in which one Pd atom is tetra-coordinated by four sulfur atoms to forms PdS4 and other Pd atom is tetra-coordinated by four nitrogen to forms PdN4 coordination sphere. Density functional theory (DFT) was performed in this study for the Hmtzt ligand and binuclear palladium(II) complexes (1) and (2). The DFT calculation shows PdII-PdII bond lengths of 2.831 and 3.086Å in complex 1 and 2, respectively which are close to the observed bond lengths of 2.802(11) and 3.0911(17)Å from single-crystal X-ray structure. The optimized geometry of the complexes is shown good agreement by X-ray data. Structural properties and molecular descriptors including bond lengths, bond angles, chemical hardness, dipole moment, HOMO-LUMO energy levels, electron transfer were analyzed. The IR spectroscopy was performed using VEDA4 software and UV-Vis spectra were analyzed using time-dependent density functional theory (TD-DFT) method. The theoretical and experimental data were also compared with each other.

Effect of the menstrual cycle on inflammatory cytokines in the periodontium.

BACKGROUND AND OBJECTIVE: The effects of different levels of steroid hormones, as experienced during puberty, pregnancy and menopause, on the periodontium have been demonstrated, but changes in sex hormone levels during the menstrual cycle, and the influence of these changes on the periodontium, remain unresolved. The aim of this study was to investigate the effect of the menstrual cycle on the levels of interleukin-1beta (IL-1ß) and tumor necrosis factor-alpha (TNF-α) in gingival crevicular fluid and on periodontal clinical parameters, including the gingival bleeding index (GBI) and the modified gingival index (MGI), in periodontally healthy women. MATERIAL AND METHODS: Twenty-seven periodontally healthy women with a regular menstrual cycle were included in the study. Clinical parameters, including the GBI, the MGI and the simplified oral health index, were recorded during menstruation, ovulation and premenstruation phases (e.g. on days 1-2, 12-14 and 22-24, respectively) of the menstrual cycle. Gingival crevicular fluid and unstimulated saliva were collected, at each study phase, for assessment of IL-1ß, TNF-α, estrogen and progesterone. RESULTS: Both the GBI and the MGI increased significantly during the menstrual cycle, and were significantly higher during ovulation than during menstruation or premenstruation (p < 0.001). No significant change in the simplified oral health index was observed during the menstrual cycle ( p = 0.18). The levels of IL-1ß and TNF-α increased during the different phases of the menstrual cycle, but only the change in the TNF-α concentration was significant ( p < 0.05). CONCLUSION: This study indicated that changes occurring during the menstrual cycle influence the periodontium and induce inflammatory conditions.

Hourly and seasonal variations in the area preferences of dairy cows in freestall housing.

Barn designs that promote animal comfort and that reflect preferences of dairy cattle play an important role in increasing animal production. This study was performed in freestall barn housing in Konya (Turkey) to determine the hourly and seasonal variation occurring in the barn area preferences of dairy cows. Behaviors of dairy cows were observed in a freestall barn at a commercial dairy farm from 2006 to 2007 using continuous video data (24h per d). The behaviors of the cows in the barn were videotaped for a total of 40 d (960 h) over 4 seasons (10d for each season) using a 60-min scan sampling technique. The study design included the hourly and seasonal rates of usage of 5 different parts of the barn area. In addition, temperature and humidity were measured on an hourly basis. The values of the cow comfort index, cow stress index, and stall usage index (SUI) were calculated. All behavioral phenotypes were analyzed with a factorial experimental design. The relationship between the barn area preferences of the dairy cattle and the climatic data for the barn area was significant. The open area (a courtyard) was used at a higher rate by dairy cattle for resting, standing, and walking. In addition, the courtyard area was preferred to the freestalls for resting or lying. The rates of usage of the courtyard during autumn, winter, spring, and summer were 39.0, 20, 66.1, and 52.2%, respectively. The usage rates of the stalls for these seasons were 22.5, 35.7, 4.6, and 8.6%, respectively. The cow comfort index values for autumn, winter, spring, and summer were 0.19, 0.29, 0.03, and 0.05, respectively. The cow stress index values for these seasons were 0.27, 0.29, 0.23, and 0.22, respectively. The qualities and size of the barn areas should allow comfortable movement of the animals. And, it is very important that new barn designs incorporate area preferences and the comfort of the cattle rather than high-cost investments.

Lack of cytomegalovirus and polyomavirus coexistence in Iranian kidney transplant recipients.

INTRODUCTION: Maintenance of kidney graft function is essential, averting infection and coinfection. Cytomegalovirus (CMV) and BK polyomavirus (BKV) coinfection have been reported. There are a few studies of CMV and BKV infection in kidney transplant recipients in Iran, but no studies of their coinfection. OBJECTIVE: To assess the coexistence of CMV and BKV infection in renal transplant recipients. PATIENTS AND METHODS: The presence of CMV and BKV was assessed using real-time polymerase chain reaction in a cross-sectional study in 91 renal transplant recipients at 1 month posttransplantation. Assessment of CMV was performed only in blood samples, whereas BKV was assessed in both serum and urine samples. RESULTS: The 91 patients included 57 men (62.6%) and 34 women (37.4%), who ranged in age from 19 to 76 years. Simultaneous evaluation of CMV in plasma and BKV in urine demonstrated no significant association. Of 24 patients positive for BKV in urine, 8 (33.3%) were positive for CMV in plasma. Sixty-seven patients tested negative for BKV in urine, whereas 23 (34.4%) tested positive for CMV, which is unremarkable. Comparison of coinfection with plasma CMV and plasma BKV demonstrated no significant correlation. In 3 patients positive for BKV in plasma only, 1 (33.3%) was positive for CMV, whereas in 88 patients negative for BKV in plasma, 30 were positive for CMV. CONCLUSION: No significant association was observed between CMV and BKV infections in kidney transplant recipients.