2-{5-(2-Fluorophenyl)-4-(4-methylphenyl)-4
H
-1,2,4-triazol-3-ylsulfanyl}-1-3-methyl-3-(2,4,6-trimethylphenyl)cyclobutylethanone was synthesized and characterized by spectral techniques and quantum ...chemical calculations. The molecular geometry, vibrational frequencies, and gauge-including atomic orbital (GIAO)
1
H and
13
C NMR chemical shifts of the title compound in the ground state were calculated using the density functional method (B3LYP) with the 6–311G(
d, p
) basis set, and its electronic absorption spectra were calculated by the TD-DFT method based on the B3LYP/6-311G(
d, p
) level optimized structure in ethanol by using the PCM model. The calculated results showed that the optimized geometry well reproduces the theoretical vibrational frequencies, and the calculated chemical shifts were in a good agreement with the experimental values. The energetic behavior of the title compound was examined using the B3LYP method with the 6-311G(
d, p
) basis set in the framework of the Onsager and polarizable continuum model (PCM). In addition, DFT calculations of frontier molecular orbitals were carried out at the B3LYP/6-311G(
d, p
) level of theory. The title compound showed antibacterial and antioxidant activities at different levels.
1-3-Methyl-3-(2,4,6-trimethylphenyl)cyclobutyl-2-{4-benzyl(4-methylphenyl)-5-(thiophen-2-yl)-4
H
-1,2,4-triazol-3-ylsulfanyl}ethanones were synthesized by the condensation of ...2-chloro-1-3-methyl-3-(2,4,6-trimethylphenyl)cyclobutylethanone with 4-benzyl- and 4-(4-methylphenyl)-5-(thiophen-2-yl)-4
H
-1,2,4-triazole-3-thiols. The new compounds were characterized by FT-IR and
1
H and
13
C NMR spectra. The molecular geometry, vibrational frequencies, and gauge-independent atomic orbital (GIAO)
1
H and
13
C NMR chemical shifts of the title compounds in the ground state were calculated using the density functional method (B3LYP) with the 6–311G(
d
,
p
) basis set. The calculated results showed that the optimized geometry well reproduces the theoretical vibrational frequencies, and the calculated chemical shifts were in good agreement with the experimental values.
Tracing IP packets to their origins is an important step in defending Internet against denial-of-service attacks. Two kinds of IP traceback techniques have been proposed as packet marking and packet ...logging. In packet marking, routers probabilistically write their identification information into forwarded packets. This approach incurs little overhead but requires large flow of packets to collect the complete path information. In packet logging, routers record digests of the forwarded packets. This approach makes it possible to trace a single packet and is considered more powerful. At routers forwarding large volume of traffic, the high storage overhead and access time requirement for recording packet digests introduce practicality problems. In this paper, we present a novel scheme to improve the practicality of log-based IP traceback by reducing its overhead on routers. Our approach makes an intelligent use of packet marking to improve scalability of log-based IP traceback. We use mathematical analysis and simulations to evaluate our approach. Our evaluation results show that, compared to the state-of-the-art log-based approach called hash-based IP traceback, our approach maintains the ability to trace single IP packet while reducing the storage overhead by half and the access time overhead by a factor of the number of neighboring routers.
After information about a dengue case in Germany acquired in Croatia, health professionals and the public in Croatia were alerted to assess the situation and to enhance mosquito control, resulting in ...the diagnosis of a second case of autochthonous dengue fever in the same area and the detection of 15 persons with evidence of recent dengue infection. Mosquito control measures were introduced. The circumstances of dengue virus introduction to Croatia remain unresolved.
Alias resolution, the task of identifying IP addresses belonging to the same router, is an important step in building traceroute-based Internet topology maps. Inaccuracies in alias resolution affect ...the representativeness of constructed topology maps. This in turn affects the conclusions derived from studies that use these maps. This paper presents two complementary studies on alias resolution. First, we present an experimental study to demonstrate the impact of alias resolution on topology measurement studies. Then, we introduce an alias resolution approach called analytic and probe-based alias resolver (APAR). APAR consists of an analytical component and a probe-based component. Given a set of path traces, the analytical component utilizes the common IP address assignment scheme to infer IP aliases. The probe-based component introduces a minimal probing overhead to improve the accuracy of APAR. Compared to the existing state-of-the-art tool ally, APAR uses an orthogonal approach to resolve a large number of IP aliases that ally fails to identify. Our extensive verification study on sample data sets shows that our approach is effective in resolving many aliases with good accuracy. Our evaluations also indicate that the two approaches (ally and APAR) should be used together to maximize the success of the alias resolution process.
The title compound was synthesized by ring-closure reaction of thiophene-2-carbohydrazide with benzyl isothiocyanate and characterized using spectroscopic methods (NMR and FT-IR). Quantum chemical ...calculations at the B3LYP/6-311++G(
d
,
p
) level were carried out to examine its molecular and spectroscopic properties, thione–thiol tautomerism, and proton transfer reaction. The structural and spectroscopic results were well consistent with the experimental data. The solvent effect on the proton transfer reaction was examined using three solvents (acetone, ethanol, and dimethyl sulfoxide) through the polarizable continuum model (PCM) approximation (direct solvent effect) and solvent-assisted mechanism. A high energy barrier was determined for the interconversion of the thione and thiol forms in both gas and solution phases. Even though the presence of solvent molecules significantly reduced the barrier to proton transfer, it was insufficient for the reaction to occur. The corresponding thermodynamic parameters and the energy difference between the HOMO and LUMO of the thione and thiol tautomers were calculated.
Abstract Background Kidney transplantation is the best treatment method for end-stage renal disease. Technically, left kidney transplantation is easier than right kidney, and the complication rates ...in the right are higher than the left kidney. We performed 28 kidney transplantations from 14 deceased donors between November 2010 and May 2016. Our aim was to share our outcomes and experiences about these 28 patients. Methods We performed 182 kidney transplantations between November 2010 and May 2016. Fifty-four kidney transplantations were performed from deceased donors. Thirty-two of these were performed from 16 of the same donors. These 32 recipients' data were collected and retrospectively analyzed. We excluded the transplantations from two same-donors to their four recipients in this study. The remaining 28 recipients were included in the study. Results The left and right kidney recipients' numbers were equal (14:14). The left kidney:right kidney rate was 11:3 in the first kidney transplantation recipient group; in the second kidney transplantation recipient group, the rate was 3:11. The difference was statistically significant ( P = .002). We found no statistical differences for sex, mean age, and body mass index of recipients, total ischemic time of grafts, hospitalization times, creatinine levels at discharge time, and current ratio of postoperative complications of recipients ( P > .05). Conclusions There were no differences in the left or the right kidneys or in the first and the second kidney transplantations during the long follow-up period.
Network-wide broadcast (simply broadcast) is a frequently used operation in wireless ad hoc networks (WANETs). One promising practical approach for energy-efficient broadcast is to use localized ...algorithms to minimize the number of nodes involved in the propagation of the broadcast messages. In this context, the minimum forwarding set problem (MFSP) (also known as multipoint relay (MPR) problem) has received a considerable attention in the research community. Even though the general form of the problem is shown to be NP-complete, the complexity of the problem has not been known under the practical application context of ad hoc networks. In this paper, we present a polynomial time algorithm to solve the MFSP for wireless network under unit disk coverage model. We prove the existence of some geometrical properties for the problem and then propose a polynomial time algorithm to build an optimal solution based on these properties. To the best of our knowledge, our algorithm is the first polynomial time solution to the MFSP under the unit disk coverage model. We believe that the work presented in this paper will have an impact on the design and development of new algorithms for several wireless network applications including energy-efficient multicast, broadcast, and topology control protocols for WANETs and sensor networks.
The metabolite changes in the brains of children with poorly controlled type 1 diabetes mellitus (DM) were investigated by proton magnetic resonance spectroscopy (MRS). A total of 30 subjects and 14 ...age-matched healthy volunteers underwent single-voxel MRS (TE: 136). The duration of disease, medication, presence of hypoglycaemia episodes and the level of haemoglobin A1C (HbA1C) in the patients were noted. Voxels were placed in the pons, left basal ganglion (LBG) and left posterior parietal white matter (PPWM). N-acetylaspartate (NAA)/creatinine (Cr) and choline (Cho)/Cr ratios were calculated. The average HbA1c level was 11.9 +/- 3.4 (8.2-19.4). The average number of keto-acidosis episodes was 1.9 +/- 2.2 (0-9) and the average number of daily insulin injections was 2.8 +/- 0.97 (2-4). MRS revealed lower NAA/Cr and Cho/Cr ratios in the pons and lower NAA/Cr ratio in the PPWM of patients with DM than in control subjects. No significant correlation was observed between the number of hypoglycaemia episodes and metabolite ratios. Metabolic abnormalities have been observed by MRS in the brain of poorly controlled type 1 DM children. These metabolic changes, in particular in the pons region, include a decrease in NAA, indicating neuronal loss or functional impairment, and likely explanations for a decrease in Cho may be dynamic changes in membrane lipids and/or decreased membrane turnover.
Isolated aneurysms of the posterior spinal artery (not associated with arteriovenous malformations) are exceptionally rare. Three cases have been reported in the literature to date. We report a case ...of an isolated posterior spinal artery aneurysm causing acute subarachnoidal haemorrhage. Spinal artery aneurysms are contrasted with the more common intracranial aneurysms in terms of presentation and pathogenesis.
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