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1-Ferrocenyl-3-(2-methylanilino)propan-1-one
(2012) Leka Z.; Novakovic, Sladjana B.; Pejović, Anka; Bogdanovic, Goran A.; Vukicevic R.
In the ferrocene-containing Mannich base, [Fe(C5H 5)(C15H16NO)], the dihedral angle between the mean planes of the benzene ring and the substituted cyclopentadienyl ring is 84.63 (7)°. The conformation of the title compound significantly differs from those found in corresponding m-tolylamino and p-tolylamino derivatives. In the crystal, C - H⋯O interactions connect the molecules into chains, which further interact by means of C - H⋯π interactions. It is noteworthy that the amino H atom is shielded and is not involved in hydrogen bonding. © 2012 International Union of Crystallography.
1-Ferrocenyl-3-(3-fluoroanilino)propan-1-one
(2012) Leka Z.; Novakovic, Sladjana B.; Pejović, Anka; Bogdanovic, Goran A.; Vukicevic R.
The title ferrocene derivative, [Fe(C 5H 5)(C 14H 13FNO)], crystallizes in the same space group with similar unit-cell parameters as the derivatives 3-anilino-1-ferrocenylpropan-1- one [Leka et al. (2012). Acta Cryst. E68, m229] and 1-ferrocenyl-3-(4- methylanilino)propan-1-one [Leka et al. (2012). Acta Cryst. E68, m230]. The dihedral angle between the best planes of the benzene ring and the substituted cyclopentadienyl ring is 83.4 (1)°. The presence of the electronegative fluoro substituent in the meta position of the aniline group does not alter the crystal packing compared to the other two derivatives. The molecules are connected into centrosymmetric dimers via N - H⋯O hydrogen bonds. In addition, C - H⋯O and C - H⋯N contacts stabilize the crystal packing.
1-Ferrocenyl-3-(4-methylanilino)propan-1-one
(2012) Leka Z.; Novakovic, Sladjana B.; Stevanović, Dragana; Bogdanovic, Goran A.; Vukicevic R.
In the title ferrocene derivative, [Fe(C 5H 5)(C 15H 16NO)], the dihedral angle between the best planes of the benzene and the substituted cyclo-penta-dienyl ring is 83.4 (1)°. The presence of a methyl substituent in the para position of the aniline group does not alter the crystal packing compared to that of 3-anilino-1-ferrocenylpropan- 1-one [Leka et al. (2012). Acta Cryst. E68, m229]. The molecules are connected into centro-symmetric dimers via N - H⋯O hydrogen bonds. In addition, C - H⋯O and C - H⋯N contacts stabilize the crystal packing.
10th World IHEA and ECHE joint congress: Health economics in the age of longevity
(2014) Jakovljevic, Mihajlo; GETZEN T.; Torbica A.; Anegawa T.
© 2014 Informa UK Ltd. The 10th consecutive World Health Economics conference was organized jointly by International Health Economics Association and European Conference on Health Economics Association and took place at The Trinity College, Dublin, Ireland in July 2014. It has attracted broad participation from the global professional community devoted to health economics teaching, research and policy applications. It has provided a forum for lively discussion on hot contemporary issues such as health expenditure projections, reimbursement regulations, health technology assessment, universal insurance coverage, demand and supply of hospital services, prosperity diseases, population aging and many others. The high-profile debate fostered by this meeting is likely to inspire further methodological advances worldwide and spreading of evidence-based policy practice from OECD towards emerging markets.
2,4-Diketo esters: Crucial intermediates for drug discovery
(2020) Joksimović N.; Janković, Nenad; Davidovic G.; Bugarčić Z.
© 2020 Elsevier Inc. Convenient structures such as 2,4-diketo esters have been widely used as an effective pattern in medicinal chemistry and pharmacology for drug discovery. 2,4-Diketonate is a common scaffold that can be found in many biologically active and naturally occurring compounds. Also, many 2,4-diketo ester derivatives have been prepared due to their suitable synthesis. These synthetic drugs and natural products have shown numerous interesting biological properties with clinical potential as a cure for the broad specter of diseases. This review aims to highlight the important evidence of 2,4-diketo esters as a privileged scaffold in medicinal chemistry and pharmacology. Herein, numerous aspects of 2,4-diketo esters will be summarized, including synthesis and isolation of their derivatives, development of novel synthetic methodologies, the evaluation of their biological properties as well as the mechanisms of action of the diketo ester derivates. This paperwork is expected to be a comprehensive, trustworthy, and critical review of the 2,4-diketo ester intermediate to the chemistry community.
3-(3-Acetylanilino)-1-ferrocenylpropan-1-one
(2012) Novakovic, Sladjana B.; Stevanović, Dragana; Divjaković V.; Bogdanovic, Goran A.; Vukicevic R.
The title ferrocene-containing Mannich base, [Fe(C5H 5)(C16H16NO2)], crystallizes with two independent molecules (A and B) in the asymmetric unit. Molecules A and B have similar conformations. The dihedral angles between the best planes of the benzene and substituted cyclopentadienyl rings are 88.59 (9) and 84.39 (10)° in A and B, respectively. In the crystal, the independent molecules form centrosymmetric dimers via corresponding N - H⋯O hydrogen bonds. The dimers further arrange via C - H⋯π and C - H⋯O interactions. There are no significant interactions between the A and B molecules. © 2012 International Union of Crystallography.
3-Anilino-1-ferrocenylpropan-1-one
(2012) Leka Z.; Novakovic, Sladjana B.; Stevanović, Dragana; Bogdanovic, Goran A.; Vukicevic R.
In the title ferrocene derivative, [Fe(C 5H 5)(C 14H 14NO)], the dihedral angle between the mean planes of the phenyl ring and the substituted cyclo-penta-dienyl ring is 84.4 (1)°. The molecules are connected into centrosymmetric dimers via N - H⋯O hydrogen bonds. In addition, C - H⋯O and C - H⋯N contacts stabilize the crystal packing.
[3.2.1] and [4.1.1] isomers of Lehn's [2.2.2] Cryptand: Prediction of ion selectivity by quantum chemical calculations XV**
(2021) Ćoćić, Dušan; Manaa A.; Siegl S.; Puchta, Ralph; van Eldik R.
Selective alkaline and earth alkaline metal ion encapsulation by two different Lehn-type cryptands, noted as [3.2.1] and [4.1.1], was predicted and between them compared on the DFT (B3LYP/LANL2DZp) basis set. Since these cryptands are isomers to the well-known [2.2.2] cryptand, the cation encapsulation selectivity of all three cages were compared. The ion selectivity and ability of the host to adjust their structure to successfully accommodate the metal ions, were based on energy and geometric criteria. Different lengths of O-Et-O-bridging arms provide an unsymmetrical cryptand host with great flexibility to accommodate large alkali and alkaline earth metal cations.
3D HeLa spheroids as a model for investigating the anticancer activity of Biginelli-hybrids
(2021) Djordjic Crnogorac, Marija; Matic, Ivana; Damjanovic, Ana; Janković, Nenad; Krivokuca, Ana; Stanojkovic, Tatjana
In previous study, we examined the anticancer effects of novel Biginelli-hybrids against HeLa cell line on 2D monolayer culture. The five most effective compounds were chosen for further analysis of their anticancer activity against HeLa spheroids. Using the 3D models implies the possible differences in anticancer effects and mechanisms of activity of tested compounds. The compounds 4c and 4d exerted the strongest activity against 3D HeLa spheroids and induced to some extent loosened cell-cell contacts in spheroids, leading to the largest reduction in the diameter of the spheroids. Additionally, the highest accumulation of the cells in the subG1 phase of the cell cycle was observed after the treatment with compounds 4d and 4c, while the compound 4f led to the G2/M arrest. The invasion potential of treated HeLa cells in spheroids was monitored by imaging of spheroids embedded in a matrix made of matrigel and collagen and by determination of MMP2, MMP9, and VEGF gene expression levels. The compound 4l did not show invasion-suppressive activity, while the compounds 4c and 4d exerted the strongest anti-invasive activity.
3D modeling and simulation of scoliosis-An integrated knowledgeware approach
(2015) Cukovic, Sasa; Devedzic G.
© 2015 IEEE. This paper presents the application of knowledgeware technologies and CAD systems in the field of 3D non-invasive diagnosis of idiopathic spinal deformity, primarily scoliosis. Automation of the process of generating key diagnostic indicators and a 3D model of the spine, based on digitized dorsal surfaces of patients, is achieved by implementing VBA macros and specialized modules of the CATIA v5 PLM system. Approximation of the central spinal line is performed by B-Spline function whose analysis generates a series of diagnostic parameters that describe the external and internal manifestations of deformities and create preconditions for internet-based monitoring and visualization.
3D printing of hydrodynamic coupling for school education
(2022) Šušteršič, Vanja; Vukašinović, Vladimir; Gordić, Dušan; Josijevic, Mladen
The application of 3D printing technologies in the industry is growing as new possibilities for their application are discovered, which take advantage of their functionalities. Also, today more and more 3D technology is used for educational purposes. Incorporating of 3D printing in the form of production of three dimensional shapes into the teaching process improved the understanding of geometry. Hydrodynamic couplings works on the hydrodynamic principle, which takes place based of the indirect principle of operation. The pump wheel transfers the introduced mechanical energy into the kinetic energy through the fluid flow. The fluid of higher energy flows centrically from the pump wheel to the turbine wheel, where re-conversion to mechanical energy takes place. In this paper, the description and principles of operation of hydrodynamic couplings are presented, as well as their basic characteristics and advantages. Also, the calculation of one hydrodynamic coupling and its 3D model that would be used in the education system are given.
3D reconstruction and computational modeling of solid-fluid interaction in realistic heart model
(2021) Simic, Vladimir; Milosevic, Miljan; Saveljic, Igor; Milicevic, Bogdan; Filipovic, Nenad; Kojić M.
In this report we present basic steps in the 3D reconstruction process of DICOM images and application of our finite element (FE) numerical procedure for loose coupling solid-fluid interaction, to simulate a complete heartbeat cycle for a realistic model of the left heart side. Passive mechanical stresses are calculated using an orthotropic material model based on the experimental investigation of passive material properties of the myocardium, while active stresses are calculated using the Hunter material model. The basic equations for solid mechanics, fluid dynamics, and muscle activation are summarized and model applicability is illustrated on a complex realistic model which includes a left atrium, ventricle, mitral and aortic valves (which serve as fluid domain) coupled with solid wall with realistic fiber directions.
4-[(4-Methylphenyl)sulfanyl]butan-2-one
(2013) Novakovic, Sladjana B.; Leka Z.; Stevanović, Dragana; Muškinja, Jovana; Bogdanovic, Goran A.
In the title compound, C11H14OS, all non-H atoms are essentially coplanar, with a mean deviation of 0.023 Å. In the crystal, centrosymmetrically related molecules are weakly connected into dimers by pairs of C - H⋯O interactions. The dimers are further linked along the a axis by weak C - H⋯π and C - H⋯S interactions.
4-[(Dimethylamino)methylene]-2-ferrocenyl-5-oxo-4,5-dihydrofuran-3- carboxaldehyde: Synthesis, spectral characterization and single crystal X-ray analysis
(2014) Ratković, Zoran; Muškinja, Jovana; Novakovic, Sladjana B.; Bogdanovic, Goran A.; Micskei K.; Vukicevic R.
The title compound 4-[(dimethylamino)methylene]-2-ferrocenyl-5-oxo-4,5- dihydrofuran-3-carboxaldehyde was synthesized by reacting 3-ferrocenoylpropionic acid with Vilsmeier reagent. This result is rather unexpected, since 3-aroylpropanoic acids under these conditions usually give the corresponding 2-aryl-4-chloro-3-formylfurans. 3-Ferrocenoylpropanoic acid is not the only 3-aroylpropanoic acid that exhibit an unusual behavior under the same conditions: 3-thenoylpropanoic acid gave 4-[(dimethylamino)-methylene]-2-(2- thienyl)-5-oxo-4,5-dihydrofuran-3-carboxaldehyde and 4-[(dimethylamino) methylene]-2-(2-thienyl-5-formyl)-5-oxo-4,5-dihydrofuran-3-carboxaldehyde, whereas 3-(4-methoxybenzoyl)propanoic acid yielded 4-[(dimethylamino)methylene]- 2-(4-methoxyphenyl)-5-oxo-4,5-dihydrofuran-3-carboxaldehyde and 2-(4-methoxyphenyl)-5-chloro-furan-3,4-dicarboxaldehyde. Single crystal X-ray analysis was successfully performed for 4-[(dimethylamino)methylene]-2- ferrocenyl-5-oxo-4,5-dihydrofuran-3-carboxaldehyde and 4-[(dimethylamino) methylene]-2-(2-thienyl)-5-oxo-4,5-dihydrofuran-3-carboxaldehyde and their structures were compared. © 2014 Elsevier Ltd. All rights reserved.
4-Dichloromethyl-4-methyl-5-(nitromethyl)cyclohex-2-enone
(2013) Novakovic, Sladjana B.; Rodic, Marko; Jaćimović Ž.; Ratković, Zoran; Sukdolak S.
In the title compound, C9H11Cl2NO 3, the six-membered ring adopts a screw-chair conformation. In the crystal, two different C - H⋯O hydrogen bonds involving the same acceptor atom connect the molecules into a chain extending along the c-axis direction.
4-Ethoxy-3-methoxybenzaldehyde
(2013) Leka Z.; Novakovic, Sladjana B.; Bogdanovic, Goran A.; Muškinja, Jovana; Vukicevic R.
In the title compound, C10H12O3, all non-H atoms are approximately coplanar, with an r.m.s. deviation of 0.046 Å. In the crystal, very weak C-H⋯O interactions link the molecules into sheets parallel to (101).
5G tool for evaluation and comparision of energy efficiency of mobile radio channel using second-order statistics
(2020) Stefanovic, Nenad; Kar A.; Mladenovic, Vladimir
© Published under licence by IOP Publishing Ltd. In order to increase energy efficiency over transmissions channels, common approach for optimization tasks is by means of channel's second-order statistics. Actual channel modeling tools for 5G networks end with channel's first-order statistics, although these metrics are not sufficient when channel conditions are rapidly changing, either in time, frequency or space. In this paper, we establish a tool for evaluation and comparision of energy efficiency of mobile radio channel using its second-order statistics, especially level crossing rate (LCR) and average fade durations (AFD), as they can implicitly pinpoint to transmission configurations that are energy efficient or, as oposit, become a waste of energy. Using both deterministic and stochastic channel modeling, we present results after simulations of Rayleigh channel for narrowband case and further extend it to passband cases, suitable for 5G scenario. We conclude about the energy efficiency of different transmission schemes used by the 5G physical layer observing LCR and AFD values.
A 130-nm 76-81-GHz SiGe TDM MIMO radar transmitter array for automotive applications
(2021) Krcum D.; Glavonjić E.; Milosavljević, Ivan; Milovanović, Vladimir
A fully-integrated transmitter (TX) for multiple-input multiple-output (MIMO) 79GHz automotive radar applications is presented. The output power scaling and monitoring is implemented in order to enable flexibility and to support robust and reliable operation in complex traffic environments and scenes. The layout of the single channel can easily be replicated to obtain double and quadruple TX arrays. The transmitter delivers 15.12dBm of saturated output power with 11.93dBm output 1-dB compression point, while the peak power-added efficiency simultaneously reaches 15%. The power dissipation of a single TX chain is approximately 265mW from a single 3.3V supply, and scales linearly with the number of chains. Simulated channel gain is 25dB, and covers complete 76-81GHz automotive band of interest. The proposed dual channel transmitter occupies 1.57 mm2 of area, while the quad channel transmitter takes 2.44 mm2, both given as stand-alone chip solutions in the standard industrial SiGe: C HBT 130nm BiCMOS process technology.
A 3-D model of ligand transport in a deforming extracellular space
(2010) Kojić N.; Huang A.; Chung, Euiheon; Ivanović, Miloš; Filipovic, Nenad; Kojić M.; Tschumperlin D.
Cells communicate through shed or secreted ligands that traffic through the interstitium. Force-induced changes in interstitial geometry can initiate mechanotransduction responses through changes in local ligand concentrations. To gain insight into the temporal and spatial evolution of such mechanotransduction responses, we developed a 3-D computational model that couples geometric changes observed in the lateral intercellular space (LIS) of mechanically loaded airway epithelial cells to the diffusion-convection equations that govern ligand transport. By solving the 3-D fluid field under changing boundary geometries, and then coupling the fluid velocities to the ligand transport equations, we calculated the temporal changes in the 3-D ligand concentration field. Our results illustrate the steady-state heterogeneities in ligand distribution that arise from local variations in interstitial geometry, and demonstrate that highly localized changes in ligand concentration can be induced by mechanical loading, depending on both local deformations and ligand convection effects. The occurrence of inhomogeneities at steady state and in response to mechanical loading suggest that local variations in ligand concentration may have important effects on cell-to-cell variations in basal signaling state and localized mechanotransduction responses. © 2010 by the Biophysical Society.
A 55-64-GHz Fully Integrated Miniaturized FMCW Radar Sensor Module for Short-Range Applications
(2019) Milosavljević, Ivan; Glavonjic D.; Krcum D.; Jovanovic G.; Mihajlović V.; Milovanović, Vladimir
© 2001-2012 IEEE. A compact wide-bandwidth frequency-modulated continuous-wave (FMCW) radar sensor module with integrated antennas intended for operation in the unlicensed 60-GHz band is presented. The proposed FMCW transceiver chip is at the heart of the radar module and it incorporates a frequency synthesizer and the analog baseband circuitry. The mm-wave radar sensor achieves sub-2-cm spatial resolutions and enables cutting-edge modulation rates higher than 200~\text {MHz/}\mu \text{s}. Steep frequency slopes are particularly important in the detection of close proximity targets that are below 20-cm range. The FMCW radar sensor prototype chip is implemented in 0.13- \mu \text{m} SiGe BiCMOS technology. It delivers more than +17.5 dBm of effective isotropic radiated power at the output over the complete frequency range of interest while dissipating 690 mW. The module is packed into 32\,\,\text {mm} \times 22\,\,\text {mm} \times 7\,\,\text {mm} aluminum case and covered by plastic lid.