Determination of horizon size in state-based peridynamics

Peridynamics is based on integro-differential equations and has a length scale parameter called horizon which gives peridynamics a non-local character. Currently, there are three main peridynamic formulations available in the literature including bond-based peridynamics, ordinary state-based peridynamics and non-ordinary state-based peridynamics. In this study, the optimum horizon size is determined for ordinary state-based peridynamics and non-ordinary state-based peridynamics formulations by using uniform and non-uniform discretisation under dynamic and static conditions. It is shown that the horizon sizes selected as optimum sizes for uniform discretisation can also be used for non-uniform discretisation without introducing significant error to the system. Moreover, a smaller horizon size can be selected for non-ordinary state-based formulation which can yield significant computational advantage. It is also shown that same horizon size can be used for both static and dynamic problems

Exploring Adoption of Augmented Reality Smart Glasses: Applications in the Medical Industry

This study explores the use of augmented reality smart glasses (ARSGs) by physicians and their adoption of these products in the Turkish medical industry. Google Glass was used as a demonstrative example for the introduction of ARSGs. We proposed an exploratory model based on the technology acceptance model by Davis. Exogenous factors in the model were defined by performing semi-structured in-depth interviews, along with the use of an expert panel in addition to the technology adoption literature. The framework was tested by means of a field study, data was collected via an Internet survey, and path analysis was used. The results indicate that there were a number of factors to be considered in order to understand ARSG adoption by physicians. Usefulness was influenced by ease of use, compatibility, ease of reminding, and speech recognition, while ease of use was affected by ease of learning, ease of medical education, external influence, and privacy. Privacy was the only negative factor that reduced the perceived ease of use, and was found to indirectly create a negative attitude. Compatibility emerged as the most significant external factor for usefulness. Developers of ARSGs should pay attention to healthcare-specific requirements for improved utilization and more extensive adoption of ARSGs in healthcare settings. In particular, they should focus on how to increase the compatibility of ARSGs. Further research needs to be conducted to explain the adoption intention of physicians

Conventional and microwave irradiated synthesis, biological activity evaluation and molecular docking studies of highly substituted piperazine-azole hybrids

WOS: 000402444600015Azole derivatives (3, 6) obtained starting from 1-(2-methoxyphenyl)piperazine were converted to the corresponding Mannich bases containing beta-lactame or flouroquinolone core via a one pot three component reaction. The synthesis of conazole analogues was carried out starting from triazoles by three steps. Reactions were carried out under conventional and microwave mediated conditions. All the newly synthesized compounds were screened for their antimicrobial: enzyme inhibition and antioxidant activity, and most of them displayed good-moderate activity. Binding affinities and non-covalent interactions between enzyme-ligand complexes were predicted with molecular docking method at molecular level. Docking results complemented well the experimental results on a-glucosidase and urease inhibitory effects of the compounds. Higher binding affinities and much more interaction networks were observed for active compounds in contrary to inactive ones. It was predicted with the docking studies that triazole and anisole moieties in the structure of the synthesized compounds contributed to the stabilization of corresponding enzymes through non-covalent interactions. (C) 2016 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.Scientific and Technological Research Council of Turkey (TUBITAK)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [113Z181]The support was provided by Scientific and Technological Research Council of Turkey (TUBITAK, No. 113Z181)

Structure-based Hybridization, Microwave Prompted Synthesis and Biological Evaluation of Novel 4-(2-Fluoro-4-Nitrophenyl)morpholine Derivatives

WOS: 0004471411000081,3,4-oxadiazole-2-thiole 6 was obtained from 4-(2-fluoro-4-nitrophenyl)morpholine (2) by the reduction of its nitro group and the sequential treatment of the resulting amine with ethyl bro-moacetate, hydrazine hydrate, and carbon disulfide. the treatment of hydrazide 5 with isothiocyanates produced the corresponding carbothioamides 10a,b. the synthesis of triazoles 11a,b was achieved by intramolecular cyclisation of carbothioamides 10 in basic media. on the other hand, the cyclocondensation of the same carbothioamides with ethyl bromoacetate generated the corresponding 1,3-thiazolidinones 12a,b. the synthesis of the fluoroquinolone or beta-lactam hybrids 16-18 was carried out by the reaction of compounds 6, 11 and 12 with the corresponding amines in the presence of formaldehyde. the sequential treatment of triazoles 11a,b with 2-halo-1-(halophenyl)ethenones, NaBH4 and substituted benzylhalides afforded conazole analogues 15a-f. the one-pot four-component synthesis of arylidene rhodanine derivatives 19a-d was achieved under conventional or microwave irradiation conditions. Molecular docking calculations were performed in order to predict binding affinities and noncovalent interactions between enzyme-inhibitor complexes at the molecular level. Docking results were in good agreement with the experimental findings on alpha-glucosidase and urease inhibitory effects of the compounds. Higher binding affinity values and much more interactions were observed for active compounds in contrary to inactive ones. the synthesized compounds were screened for their antimicrobial and enzyme inhibition activities, and nine of them containing a fluoroquinolone unit exhibited excellent antimicrobial activity on the test microorganisms.Scientific and Technological Research Council of Turkey (TUBITAK)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [113Z181]; Karadeniz Technical University, BAP, TurkeyKaradeniz Technical University [8623]The support provided by Scientific and Technological Research Council of Turkey (TUBITAK, Project no: 113Z181) and Karadeniz Technical University, BAP, Turkey (Ref. No. 8623) and is gratefully acknowledged

A comparison of maximal oxygen uptake obtained from different tests in chronic obstructive pulmonary disease patients

WOS: 000330199000015Background: This study aims to assess the correlation between maximal oxygen uptake (peakVO(2)) during cardiopulmonary exercise test (CPET) and peakVO(2) obtained from incremental shuttle walking test (ISWT) in patients with chronic obstructive pulmonary disease (COPD) and to investigate their relationship with quality of life. Methods: Data of 38 stable COPD patients (35 males, 3 females; mean age 64.6 +/- 8.3 years; range 48 to 82 years) who completed outpatient pulmonary rehabilitation (PR) program and assessed by CPET and ISWT through treadmill test was retrospectively analyzed. Pulmonary rehabilitation was performed during eight weeks. PeakVO(2) measured via breath-by-breath technique during CPET. PeakVO(2) from ISWT distance was calculated by the formula "4.19+ [0.025x ISWT distance]". Borg scale was used for the evaluation of dyspnea severity before and after PR, whereas St. George's Respiratory Questionnaire was used for quality of life. Results: PeakVO(2) on CPET were found 15.9 +/- 5.1 ml/min/kg before PR and 17.3 +/- 5.3 ml/min/kg after PR (p=0.001). The peakVO(2) calculated with ISWT was 11.6 +/- 3.2 ml/min/kg before PR and 13.4 +/- 3.2 ml/min/kg after PR (p<0.001). Incremental shuttle walking test distance increased from 296.1 +/- 128.9 meters to 367.1 +/- 129.1 meters (p<0.001). A significant relationship between peakVO(2) on CPET and calculated peakVO(2) from ISWT before and after PR (p=0.001, p=0.005, respectively). A moderate positive correlation (r=0.50) and a weak correlation (r=0.449) were found before and after PR, respectively. Dyspnea was reduced and quality of life and walking distance were improved after PR. There were significant but weak correlations between activity, impact, total score of St. George's Respiratory Questionnaire and peakVO(2) on CPET before and after PR (p<0.05). Conclusion: Incremental shuttle walking test can also be used for the evaluation of exercise capacity in COPD patients. Although it is an inexpensive and easy-to-use method, CPET should be preferred to achieve objective results