Browsing Τμήμα Χημείας / Department of Chemistry by Submit Date

Article

Analysis of volatile organic compounds released from the decay of surrogate human models simulating victims of collapsed buildings by thermal desorption-comprehensive two-dimensional gas chromatography-time of flight mass spectrometry

Agapiou, Agapios; Zorba, Eleni; Mikedi, Katerina; McGregor, L.; Spiliopoulou, C.; Statheropoulos, Miltiades K. (2015)

Field experiments were devised to mimic the entrapment conditions under the rubble of collapsed buildings aiming to investigate the evolution of volatile organic compounds (VOCs) during the early dead body decomposition ...

Article

A study of the infrared absorption spectra of thin amorphous films of molybdenum trioxide

Ainwar, M.; Hogarth, C. A.; Theocharis, Charis R. (1989)

The spectra of thin amorphous films of MoO3 deposited by vacuum evaporation have been studied within the spectral range 4000-400 cm-1 by the Fourier transform infrared technique. Some samples in the thickness range 100 to ...

Article

Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2006)

A linear quantitative-structure activity relationship model is developed in this work using Multiple Linear Regression Analysis as applied to a series of 51 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides derivatives ...

Article

Prediction of intrinsic viscosity in polymer-solvent combinations using a QSPR model

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2006)

In this work, a linear quantitative structure-property relationship (QSPR) model is presented for the prediction of intrinsic viscosity in polymer solutions. The model was produced by using the multiple linear regression ...

Article

Trace detection of endogenous human volatile organic compounds for search, rescue and emergency applications

Agapiou, Agapios; Amann, Anton; Mochalski, Paweł; Statheropoulos, Miltiades K.; Thomas, Charles Lawrence Paul (2015)

Since Pauling's paper in the 1970s, interest has increased in volatile organic compounds (VOCs) released from different bio-fluids, such as blood and urine. A number of VOCs reflect internal biochemical pathways occurring ...

Article

Physiology and biochemistry of human subjects during entrapment

Agapiou, Agapios; Mikedi, Katerina; Karma, Sofia; Giotaki, Zoe K.; Kolostoumbis, D.; Papageorgiou, Charalambos Ch; Zorba, Eleni; Spiliopoulou, C.; Amann, Anton; Statheropoulos, Miltiades K. (2013)

A classification of various categories of entrapped people under the ruins of collapsed buildings after earthquakes, technical failures or explosions is proposed. Type and degree of injury at the moment of building collapse ...

Article

Amphiphilic model conetworks based on cross-linked star copolymers of benzyl methacrylate and 2-(dimenthylamino)ethyl methacrylate: Synthesis, characterization, and DNA adsorption studies

Achilleos, Demetra S.; Georgiou, Theoni K.; Patrickios, Costas S. (2006)

Six amphiphilic model conetworks of a new structure, that of cross-linked "in-out" star copolymers, were synthesized by the group transfer polymerization (GTP) of the hydrophobic monomer benzyl methacrylate (BzMA) and the ...

Article

Amphiphilic model conetworks based on combinations of methacrylate, acrylate, and styrenic units: Synthesis by RAFT radical polymerization and characterization of the swelling behavior

Achilleos, Mariliz; Krasia‐Christoforou, Theodora; Patrickios, Costas S. (2007)

Reversible addition-fragmentation chain transfer (RAFT) polymerization was employed for the preparation of homopolymer and copolymer (co)networks based on four monomer units, belonging to three monomer types: methacrylates, ...

Article

A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Igglessi-Markopoulou, O.; Kollias, G. (2010)

AnovelQSARworkflowis constructed that combines MLR with LS-SVM classification techniques for the identification of quinazolinone analogs as "active" or "nonactive" CXCR3 antagonists. The accuracy of the LS-SVM classification ...

Article

Ligand - Based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks

Afantitis, Antreas; Melagraki, G.; Koutentis, Panayiotis Andreas; Sarimveis, H.; Kollias, G. (2011)

In this work we have developed an in silico model to predict the inhibition of β-amyloid aggregation by small organic molecules. In particular we have explored the inhibitory activity of a series of 62 N-phenylanthranilic ...

Article

A novel QSAR model for predicting induction of apoptosis by 4-aryl-4H-chromenes

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2006)

A linear quantitative structure-activity relationship (QSAR) model is presented for modeling and predicting induction of apoptosis by 4-aryl-4H-chromenes. The model was produced by using the multiple linear regression (MLR) ...

Article

Development and evaluation of a QSPR model for the prediction of diamagnetic susceptibility

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2008)

A novel QSPR model is developed and evaluated for the prediction of diamagnetic susceptibility. The model was produced using the Multiple Linear Regression (MLR) technique on a database that consists of 406 organic compounds ...

Article

A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2006)

A quantitative-structure activity relationship was obtained by applying Multiple Linear Regression Analysis to a series of 80 1-[2-hydroxyethoxy-methyl] -6-(phenylthio) thymine (HEPT) derivatives with significant anti-HIV ...

Article

A novel QSAR model for evaluating and predicting the inhibition activity of dipeptidyl aspartyl fluoromethylketones

Afantitis, Antreas; Melagraki, G.; Sarimveis, H.; Koutentis, Panayiotis Andreas; Markopoulos, J.; Igglessi-Markopoulou, O. (2006)

A linear quantitative structure activity relationship model is obtained using Multiple Linear Regression (MLR) analysis as applied to a series of 49 dipeptidyl aspartyl fluoromethylketone derivatives with inhibitory activity ...

Article

Cyanate groups in higher oxidation state metal cluster chemistry: Mixed-valence (II/III) Mn16 and Mn18 clusters

Alexandropoulos, Dimitris I.; Moushi, Eleni E.; Papatriantafyllopoulou, Constantina; Beavers, Christine M.; Teat, Simon J.; Tasiopoulos, Anastasios J.; Christou, George; Stamatatos, Theocharis C. (2016)

Article

"Squaring the clusters": A Mn III 4Ni II 4 molecular square from nickel(ii)-induced structural transformation of a Mn II/III/IV 12 cage

Alexandropoulos, Dimitris I.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Mukherjee, S.; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Christou, George; Stamatatos, Theocharis C. (2012)

A Mn III 4Ni II 4 molecular square exhibiting slow magnetization relaxation has been prepared from the reaction of a Mn II 4Mn III 6Mn IV 2 cluster and a simple Ni II source. © The Royal Society of Chemistry 2012.

Article

Surface reactivity of LaCoO3 and Ru/LaCoO3 towards CO, CO2 and C3H8: Effect of H2 and O2 pretreatments

Álvarez-Galván, M. C.; Constantinou, D. A.; Navarro, R. M.; Villoria, J. A.; Fierro, José Luis García; Efstathiou, Angelos M. (2011)

The differences in surface reactivity of LaCoO3 and Ru/LaCoO3 solids after pre-treatment in a hydrogen or oxygen gas atmosphere towards oxidative steam reforming (OSR) of propane was probed by performing temperature-programmed ...

Article

Approaches to molecular magnetic materials from the use of cyanate groups in higher oxidation state metal cluster chemistry: Mn14 and Mn 16

Alexandropoulos, Dimitris I.; Papatriantafyllopoulou, Constantina; Li, C. -L; Cunha-Silva, L.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Wernsdorfer, W.; Christou, George; Stamatatos, Theocharis C. (2013)

The initial employment of cyanato groups in higher oxidation state manganese cluster chemistry, in conjunction with the gem-diolate form of di-2-pyridylketone or 2,6-diacetylpyridine dioxime chelate ligands, has afforded ...

Article

Investigation of infrared absorption spectra of copper phosphate glasses containing some rare earth oxides

Ananthamohan, C.; Hogarth, C. A.; Theocharis, Charis R.; Yeates, D. (1990)

The spectra of copper-lutetium-phosphate and copper-erbium-phosphate glasses have been studied within the spectral range 4000 to 400 cm- by Fourier transform infrared spectroscopy. Incorporation of a small amount of lutetium ...

Article

Understanding the synergistic catalytic effect between la2O 3 and CaO for the CH4 Lean De-NOx reaction: Kinetic and mechanistic studies

Anastasiadou, T.; Loukatzikou, Loukia A.; Costa, Costas N.; Efstathiou, Angelos M. (2005)

Doping of La2O3 crystallites with Ca2+ ions significantly enhances the intrinsic rate of NO reduction by CH4 in the presence of 5% O2 at 550°C compared to pure La 2O3 and CaO solids, while the opposite is true after doping ...