http://publicationslist.org/data/c.g.floare/atom.xml Calin Gabriel Floarehttp://publicationslist.org/c.g.floare$basepathfavicon.icoRecent additions to Calin Gabriel Floare's PublicationsList.org pagehttp://publicationslist.org/publications.png2017-10-13T06:14:40Z http://publicationslist.org/c.g.floare/refid25 2017-10-13T06:05:45Z

The host-guest interaction of tolmetin (TOL) with beta-cyclodextrin (beta-CD) and the influence of human serum albumin (HSA) on the formation of the inclusion complex were studied by 1D and 2D NMR spectroscopy. The TOL/beta-CD inclusion complex formed at a molar ratio of 1:1 with a binding constant value of 2164.5 L center dot mol(-1). Data analysis showed that the addition of 10 mu mol center dot...<br/><br/>M Bogdan, C G Floare, A Pirnau, S Neamtu (2017) <i>J Sol. Chem.</i> 46: 1 44-57<br/>

http://publicationslist.org/c.g.floare/refid26 2017-10-13T06:11:33Z

A Pirnau, M Mic, S Neamtu, C G Floare, M Bogdan (2017) <i>Spectrochimica Acta A</i> : <br/>

http://publicationslist.org/c.g.floare/refid21 2017-10-13T05:18:18Z

M Bogdan, C G Floare, L Buimaga-Iarinca, C Morari, A Pirnau (2016) <i> J. Incl. Phenom. Macrocycl. Chem.</i> 85: 1-2 111-120<br/>

http://publicationslist.org/c.g.floare/refid22 2017-10-13T05:25:57Z

A Farcas, C Floare, L Buimaga-Iarinca, L Janosi (2016) <i>FEBS J.</i> 283 (Suppl 1): 236<br/>

http://publicationslist.org/c.g.floare/refid23 2017-10-13T05:27:03Z

A Farcas, C Floare, L Buimaga-Iarinca, L Janosi (2016) <i>FEBS J.</i> 283 (Suppl 1): 235<br/>

http://publicationslist.org/c.g.floare/refid24 2017-10-13T05:29:40Z

Using first-principles electronic structure calculations, we studied the electronic and thermoelectric properties of SrTiO3 based oxide materials and their nanostructures of SrTiO3/KNbO3, SrTiO3/LaVO3, SrO[SrTiO3], SrO[SrTiO3](2), and SrO[CoO2F] superlattices identifying those nanostructures which possess highly anisotropic electronic bands. We showed recently that highly anisotropic flat-and-disp...<br/><br/>D I Bilc, C G Floare, L P Zarbo, S Garabagiu, S Lemal, P Ghosez (2016) <i>J Phys. Chem C </i> 120: 45 25678-25688<br/>

http://publicationslist.org/c.g.floare/refid27 2017-10-13T06:14:36Z

The present paper discusses an approach to the efficient satellite image processing which involves two steps. The first step assumes the distribution of the steadily increasing volume of satellite collected data through a Grid infrastructure. The second step assumes the acceleration of the solution of the individual tasks related to image processing by implementing execution codes which make heavy...<br/><br/>B Belean, C Belean, C G Floare, C M Varodi, A Bot, G Adam (2015) <i>Computer Research and Modeling</i> 7: 3 399-406<br/>

http://publicationslist.org/c.g.floare/refid20 2017-10-13T05:15:17Z

V Avram, C G Floare, A Hosu, C Cimpoiu, C Marutoiu, Z Moldovan (2015) <i>Analitical Letters</i> 48: 7 1099-1116<br/>

http://publicationslist.org/c.g.floare/refid16 2014-03-24T18:19:54Z

The complexation process between racemic flurbiprofen and β-cyclodextrin in solution was investigated by 1D and 2D proton NMR spectroscopy. In the presence of β-cyclodextrin, the aromatic protons of flurbiprofen were the most affected, suggesting a strong involvement of the phenyl groups in the inclusion mechanism. The stoichiometry of the complex was determined by the method of continuous varia...<br/><br/>A. Pirnau, C. G. Floare and M. Bogdan (2014) <i>J. Incl. Phenom. Macrocycl. Chem.</i> 78: 1-4 113-120<br/>

http://publicationslist.org/c.g.floare/refid14 2014-03-24T18:13:06Z

We present density functional theory investigations on the electronic structure properties for three derivatives of trioxotriangulene that were recently used as electrode materials in Li-ion batteries. We compare the results obtained by standard GGA exchange-correlation functionals with those based on recently developed van der Waals exchange-correlation functionals for the free molecules and bulk...<br/><br/>Luiza Buimaga-Iarinca, Calin G. Floare, Cristian Morari (2014) <i>Chemical Physics Letters</i> 598: 48-62<br/>

http://publicationslist.org/c.g.floare/refid15 2014-03-24T18:18:05Z

Periodic density functional theory calculations were used to investigate relevant aspects of adsorption mechanisms of cysteine dimers in protonated form on Au(111) and Au(110) surfaces. The projected densities of states are explicitly discussed for all main chemical groups of cysteine, i.e. the amino group (NH2), the thiol group (SH) and the carboxylic group (COOH) to identify differences in adsor...<br/><br/>Luiza Buimaga-Iarinca, Calin G. Floare, Adrian Calborean, Ioan Turcu (2013) <i>AIP Conference Proceedings - PROCESSES IN ISOTOPES AND MOLECULES (PIM 2013)</i> 1565: 29<br/>

http://publicationslist.org/c.g.floare/refid18 2014-03-24T18:23:21Z

The complexation between the anionic forms of tolfenamic acid and flufenamic acid with β-cyclodextrin was investigated in solution by 1D and 2D proton NMR spectroscopy. The stoichiometry of the complexes was determined by the method of continuous variation using the chemical induced shifts of both the host and guest protons. An analysis of the spectroscopic data revealed that simultaneous inclusi...<br/><br/>C. G. Floare, A. Pirnau and M. Bogdan (2013) <i>Journal of Molecular Structure</i> 1044: 72-78<br/>

http://publicationslist.org/c.g.floare/refid17 2014-03-24T18:21:27Z

CONSTEQ is a program developed in our group to determine association constants from NMR titration experiments using a non-linear regression algorithm. We use it essentially to determine binding constants of supramolecular inclusion compounds of cyclodextrins, at 1:1 stoichiometry. The implemented algorithm performs a global analysis, simultaneously fitting multiple experimental datasets. In this c...<br/><br/>C. G. Floare and M. Bogdan (2013) <i>AIP Conference Proceedings - PROCESSES IN ISOTOPES AND MOLECULES (PIM 2013)</i> 1565: 48-52<br/>

http://publicationslist.org/c.g.floare/refid19 2014-03-24T18:24:42Z

Calin Gabriel Floare, Alex Rodriguez and Alessandro Laio (2012) <i>HPC-Europa2 - Project Report</i> : <br/>

http://publicationslist.org/c.g.floare/refid13 2011-03-23T13:24:22Z

The requirements for quality food products have been increased in recent years and the interest in the quality and purity of spirits, wines and fruit juices has grown in this connection as well. In the early 90 s the EU adopted the 2H-NMR method for wine analysis as an official method (EEC 2676/90), in order to tackle the problem of over-chapitalization of wines in Europe. A deuterium natural abun...<br/><br/>A Pirnau, M Bogdan, C G Floare, D A Magdas (2010) <i>Studia Universitatis Babes-Bolyai Chemia</i> LV: 3 235<br/>

http://publicationslist.org/c.g.floare/refid6 2011-01-03T15:13:44Z

The major protein component from aleurone cells of barley (Hordeum vulgare L.), PACB, is related to 7S globulins present in other cereals and to the vicilin-type 7S globulins of legumes and cotton seed. It contains 4 subunits of about 20, 25, 40 and 50 kDa molecular weights. The N-terminal sequence of 16 amino acids (over 260 atoms) in the protein was previously determined, and our aim is the pred...<br/><br/>C. G. Floare, M. Bogdan, O. Horovitz, A. Mocanu and M. Tomoaia-Cotisel (2009) <i>Journal of Physics: Conference Series Vol. 182, 012008</i> 182: 012008<br/>

http://publicationslist.org/c.g.floare/refid4 2011-01-03T15:09:36Z

A self-association of vanillin have been studied by 1H NMR spectroscopy using the analysis of proton chemical shifts changes in aqueous solution as a function of concentration. The experimental results have been analysed using indefinite non-cooperative and cooperative models of molecular self-association, enabling the determination of equilibrium constants, parameters of cooperativity and the lim...<br/><br/>M. Bogdan, C. G. Floare and A. Pirnau (2009) <i>Journal of Physics: Conference Series</i> 182: 012002<br/>

http://publicationslist.org/c.g.floare/refid5 2011-01-03T15:14:27Z

The inclusion of vanillin by β-cyclodextrin was investigated by 1H NMR. The continuous variation technique was used to evidence the formation of soluble 1:1 complex in aqueous solution. The association constant of vanillin with β-cyclodextrin has been obtained at 298 K by fitting the experimental chemical shifts differences, Δδobs = δfree - δobs of the observed guest and host protons, with a...<br/><br/>A. Pirnau, M. Bogdan and C. G. Floare (2009) <i>Journal of Physics: Conference Series</i> 182: 012013<br/>

http://publicationslist.org/c.g.floare/refid3 2011-01-03T15:07:37Z

The interaction between indomethacin and human serum albumin (HSA) was investigated by fluorescence quenching technique and UV-vis absorption spectroscopy. The results of fluorescence titration revealed that indomethacin, strongly quench the intrinsic fluorescence of HSA by static quenching and nonradiative energy transfer. The binding site number n and the apparent binding constant KA, were calcu...<br/><br/>M. Bogdan, A. Pirnau, C. Floare and Carmen Bugeac (2008) <i>J. Pharm. BioChem. Anal.</i> 47: 4-5 981-984<br/>

http://publicationslist.org/c.g.floare/refid2 2011-01-03T15:23:51Z

Novel extended tetrahedral forms of CO2 have been synthesized recently under high-pressure conditions. We perform ab initio density functional theory calculations to investigate whether doping with Si can extend the stability range of such tetrahedral forms of CO2 to ambient pressure. Calculations are performed with a simple cubic cell containing eight formula units in a β-cristobalite-like struc...<br/><br/>Assa Aravindh, Artoto Arkundato, Sonali Barman, Stefano Baroni, B.L. Bhargava, K.R.S. Chandrakumar, Wei Chen, Roby Cherian, Andrea Dal Corso, Soumendu Datta, Stefano de Gironcoli, Suman S. Dhayal, Alok Kumar Dixit, Sudipta Dutta, Pavel D’yachkov, Calin Gabriel Floare, Nirmal Ganguli, Shreemoyee Ganguly, Ralph Gebauer, Saurabh Ghosh, Paolo Giannozzi, Govind, Alison J. Hatt, K.P.S.S. Hembram, Mighfar Imam, V. Jayalakshmi, C.S. Jayanthi, Tuhina Kelkar, Anil Kumar, Jun Hee Lee, Mal-Soon Lee, Dayana Lonappan, Priya Mahadevan, Sairam Swaroop Mallajosyula, Madhura Marathe, Nicola Marzari, Brent Melot, Nicholas Miller, Joseph Morrone, Sachin Nanavati, Asiri Nanayakkara, Prithwish Kumar Nandi, Shobhana NarasimhanCorresponding Author Contact Information, , E-mail The Corresponding Author, Bhaarati Natarajan, Fahmida Parvin, Sujata Paul, Kalpataru Pradhan, G. Praveena, Dasari L.V.K. Prasad, Himanshu K. Poswal, Bhalchandra Pujari, Raghani Pushpa, K. Hari Krishna Reddy, Srijan Kumar Saha, Carlo Sbraccia, Sandro Scandolo, Prasenjit Seal, Ghazal S. Shafai, K.V. Shanavas, James O.H. Simrall, Aarti Srirangarajan, Vipul Srivastava, Mina K. Talati, Yuthana Tantirungrotechai, Kartick Tarafder, Tiju Thomasa and T. Uthayathasana (2007) <i>Solid State Communications</i> 144: 7-8 273-276<br/>

http://publicationslist.org/c.g.floare/refid7 2011-01-03T15:16:11Z

Ab initio density functional calculations were performed on the CH2 pale yellow stable tautomer of 2-(2',4'-dinitrobenzyl)pyridine and on his photoinduced dark blue NH tautomer. We used B3LYP hybrid functional with 6-31G(d), 6-31G** and 6-31++G** basis sets. Good agreement is found between the calculated and experimental structures and vibrational spectra. The discrepancies are associated with the...<br/><br/>C. Floare, S. Astilean, M. Bogdan, O. Cozar (2005) <i>Romanian Journal of Physics</i> 50: 7-8 815<br/>

http://publicationslist.org/c.g.floare/refid8 2011-01-03T15:17:14Z

M. Bogdan, C. Floare, Diana Bogdan, S.I. Farcas4 (2005) <i>STUDIA Universitatis Babes-Bolyai, Physica</i> 4: 721-724<br/>

http://publicationslist.org/c.g.floare/refid1 2011-01-03T15:01:59Z

We report a reversible liquid-solid transition upon heating of a simple solution composed of a-cyclodextrine (alphaCD), water, and 4-methylpyridine. These solutions are homogeneous and transparent at ambient temperature and solidify when heated to temperatures between 45° and 75°. Quasielastic and elastic neutron scattering show that molecular motions are slowed down in the solid and that crysta...<br/><br/>M. Plazanet, C. Floare, M. R. Johnson, R. Schweins, H. P. Tommsdorff (2004) <i>J. Chem. Phys.</i> 121: 5031<br/>

http://publicationslist.org/c.g.floare/refid9 2011-01-03T15:19:05Z

C. Floare, S. Astilean, M. Bogdan and O. Cozar (2004) <i>STUDIA Universitatis Babes-Bolyai, Physica</i> XLIX: 3 51-55<br/>

http://publicationslist.org/c.g.floare/refid10 2011-01-03T15:20:49Z

M. Plazanet, C. Floare, M.R. Johnson, R. Schweins and H.P. Trommsdorff (2004) <i>STUDIA Universitatis Babes-Bolyai, Physica</i> 2: 11-14<br/>

http://publicationslist.org/c.g.floare/refid12 2011-01-03T15:39:47Z

The experimental data on 235U enrichment by isotopic exchange 235U/238U in U4+ - UO22+ system on cation exchange resin C-100 (produced by Purolite) and in the system U4+-[UO2Clx]2-x, on anion exchange resin Dowex-1 (Sigma) are presented. In both cases a thermostated glass lumn was utilised. Cation exchange resin was passed in R-Ti3+ form, then the column was feeded with 0.047M UO2Cl2 solution. Acc...<br/><br/>Horga, R., Axente, D., Pamula, A., Chiriac, M., Bâldea, A., Fǎtu, C., Leucǎ, M., Ilies, I., Ursu, D., Floare, C. (2001) <i>Revista de Chimie</i> 52: 7-8 377-381<br/>

http://publicationslist.org/c.g.floare/refid11 2011-01-03T15:22:21Z

A Pamula, C. Floare, M. Vermesan (2000) <i>Studia Universitatis Babes-Bolyai, Physica</i> Special Issue 2: 175<br/>