Multivariate analysis and self organizing feature maps applied for data analysis of opto-magnetic spectra of water

Kako bi se došlo do novih saznanja u vezi strukture vode u tečnom stanju, kao i interakcija između rastvorenih materija i molekula vode korišćena je nova metoda bazirana na upotrebi opto-magnetne imidžing spektroskopije (OMIS). U pitanju je metoda bazirana na interakciji vidljive svetlosti i materije, koja omogućava detekciju odnosa električnih i magnetnih sila hemijskih veza, te daje podatke kako o klasičnim tako i kvantnim dejstvima između molekula vode i drugih materija u njoj rastvorenih. U ovom radu su za ekstrakciju i analizu podataka, dobijenih upotrebom OMIS, korišćene multivarijantna analiza i neuronske mreže. Ovim pristupom smo pokušali da izvršimo karakterizaciju i diskriminaciju različitih voda sa posebnim interesovanjem za njihove para- i dija- magnetne osobine koje ukazuju na samoorganizaciju (klasterizaciju) molekula vode. Pokazano je da upotreba OMIS paralelno sa tehnikama multivarijantne analize i neuronskih mreža može uspešno biti upotrebljena za karakterizaciju voda sa aspekta njihove strukturalne organizacije.To obtain new knowledge about structure of liquid water and interaction between constituents in water and water molecules a new approach has been attempted using Opto-magnetic imaging spectroscopy (OMIS), a method based on a light-matter interaction. Opto-magnetic imaging spectroscopy is a novel method which takes into account a ratio of electrical and magnetic forces of chemical bonds, and therefore collects data of both classical and quantum actions of water molecules and other constituents. Here, we used OMIS combined with techniques of multivariate analysis and neural networks to extract data from spectra of different waters. We have investigated this method for characterization and discrimination of different waters with special interest in para- diamagnetic properties which can give clues about organization of water molecules. It is shown that the use of OMIS together with multivariate techniques and neural networks approach can be proved as a valuable asset in characterizing water from the aspect of its structural organization

Multivariate analysis and self organizing feature maps applied for data analysis of opto-magnetic spectra of water

Kako bi se došlo do novih saznanja u vezi strukture vode u tečnom stanju, kao i interakcija između rastvorenih materija i molekula vode korišćena je nova metoda bazirana na upotrebi opto-magnetne imidžing spektroskopije (OMIS). U pitanju je metoda bazirana na interakciji vidljive svetlosti i materije, koja omogućava detekciju odnosa električnih i magnetnih sila hemijskih veza, te daje podatke kako o klasičnim tako i kvantnim dejstvima između molekula vode i drugih materija u njoj rastvorenih. U ovom radu su za ekstrakciju i analizu podataka, dobijenih upotrebom OMIS, korišćene multivarijantna analiza i neuronske mreže. Ovim pristupom smo pokušali da izvršimo karakterizaciju i diskriminaciju različitih voda sa posebnim interesovanjem za njihove para- i dija- magnetne osobine koje ukazuju na samoorganizaciju (klasterizaciju) molekula vode. Pokazano je da upotreba OMIS paralelno sa tehnikama multivarijantne analize i neuronskih mreža može uspešno biti upotrebljena za karakterizaciju voda sa aspekta njihove strukturalne organizacije.To obtain new knowledge about structure of liquid water and interaction between constituents in water and water molecules a new approach has been attempted using Opto-magnetic imaging spectroscopy (OMIS), a method based on a light-matter interaction. Opto-magnetic imaging spectroscopy is a novel method which takes into account a ratio of electrical and magnetic forces of chemical bonds, and therefore collects data of both classical and quantum actions of water molecules and other constituents. Here, we used OMIS combined with techniques of multivariate analysis and neural networks to extract data from spectra of different waters. We have investigated this method for characterization and discrimination of different waters with special interest in para- diamagnetic properties which can give clues about organization of water molecules. It is shown that the use of OMIS together with multivariate techniques and neural networks approach can be proved as a valuable asset in characterizing water from the aspect of its structural organization

Impact of wastewater effluents at two sites at Danube river: genotoxicological assessment.

One of the most severe threats to the Danube River course through Serbia is the direct discharge of untreated wastewater. In biomonitoring studies, faecal indicator bacteria are used to reveal the presence of untreated communal wastewater, while biomarker response in indigenous biota serves as a useful indicator of their harmful potential. The objective of this study was to estimate the genotoxic potential of untreated communal wastewater at two sites on the Danube River, Višnjica (Belgrade) and Novi Banovci, by using in situ approach in white bream (Blicca bjoerkna L.). A comet assay was selected to measure DNA damage in erythrocytes, liver, and gill cells, while the micronucleus test was applied to measure chromosomal aberrations in erythrocytes. Additionally, the accumulation of 22 elements in fish liver and muscle was analysed by ICP-OES meth- od. Simultaneous detection of total coliforms and E.coli in water was performed by enzyme-based Colilert-18 test (IDEXX). Comet assay revealed the highest level of DNA damage in gills at the site Novi Banovci, and in blood at the site Višnjica. The overall frequency of micronucleus at both sites was low. At both localities, the majority of analysed elements showed higher levels in the liver in comparison to muscle. Microbiological indicators confirmed the poor water quality, since at both sites water was categorised as critically to strongly polluted. The results of this study highlighted the importance of in situ biomonitoring approach and the need for more effective management of natural resources and implementation of wastewater treatment systems

Genotoxicity assessment of Danube River: in situ and in vitro methods.

Water quality in the Danube River Basin is largely influenced by the inputs of pollutants - particularly excessive nutrients, organic material, and hazardous substances, which affects the whole ecosystem at various levels. The major goal of this study was to evaluate the level of genotoxic potential at the site at Danube River, Novi Banovci, which is under significant anthropogenic pressure of untreated municipal and industrial waste waters. DNA damage in situ was assessed in 5 specimens of white bream (Blicca bjoerkna) erythrocytes, liver and gills cells with comet assay and in erythrocytes with micronucleus test. Additionally, genotoxicity of native water samples collected from the site and upstream and downstream of the site was evaluated by the comet assay on HepG2 cells. Microscopic images of comets were scored using Comet IV Computer Software (Perceptive Instruments, UK) and tail intensity was chosen as parameters to assess the DNA damage. Comet assay on white bream showed that gills were the most affected tissue, while liver showed the smallest values. Micronuclei frequency was low in general, with mean of 1 micronuclei in 5000 scored erythrocytes, with no significant correlation to the values of comet assay in erythrocytes. Comet assay on HepG2 cells showed significant difference between values of negative control samples and samples of water from effluent site and downstream of wastewater discharge. There was no significant difference between negative control and upstream samples of water. Our results showed that great impact of municipal and industrial wastewaters on the river ecosystem. The application of in vitro and in situ tests gives a better insight into genotoxic effects. More importantly, because Serbia still doesn’t have waste water treatment plants, this kind of research points out the imperative for implementation of this facilities

Spin transition under influence of pressure

International audienc

Small-Angle and Wide-Angle X-Ray Scattering Study of Slow Relaxation Following Phase Transitions of New Bolaamphiphiles Based on N-(12-Betainylamino-Dodecane)-octyl β-D-Glucofuranosiduronamide Chloride.

International audienceIn the present study, we investigated the polymorphism and its time-dependence of a new series of bolaamphiphile molecules based on N-(12-Betainylamino-dodecane)-octyl β-D-Glucofuranosiduronamide Chloride. To obtain six members of this series, the length of the main bridging chain and the lateral chain were varied in order to modify the hydrophilic-lipophilic balance. Another chemical modification was to introduce a diacetylenic unit in the middle of the bridging chain to study the influence of the π-π stacking on the supramolecular organization of these molecules. Dry bolaamphiphiles self-organize in supramolecular structures such as lamellar crystalline structure, Lc; lamellar gel structure, Lβ′; lamellar fluid structure, Lα; and lamellar isotropic structure, L. Thermal hysteresis of these structures, following phase transitions, are investigated by small-angle and wide-angle X-ray scattering. Once the thermal cycle is accomplished, the system remains in the kinetically stabilized undercooled high-temperature phase at the temperature of 20°C. Subsequently, the time-dependence of the relaxation to the thermodynamically stable phase is followed, and very slow relaxation for a period on the order of hours or days is observed. The study of the polymorphism and the stability of various phases of this new series of bolaamphiphiles--which are issued from natural primary resources (sugar beet and wheat) and thus interesting for potential application in pharmaceutical, cosmetics, or food industry--was undertaken in this work

Applications of Extremophilic Archaeal Lipids in the Field of Nanocarriers for Oral/Topical Drug Delivery

International audienceExtreme environments are mainly occupied by Archaea that contain in their cytoplasmic membrane unique mono- and bi-polar ether lipids that exhibit extraordinary resistance towards chemical and/or enzymatic degradation, over a wide range of pH values, extreme temperatures, and high salt concentrations. The archaeal core lipid structures show considerable variation within the various subgroups of the Archaea, but there are groupings of structural types that can be associated with the three principal archaeal phenotypes. These unusual lipids play a key role in the adaptation of the halophilic, methanogenic, (hyper)thermophilic/thermoacidophilic Archaea to extreme habitats by optimizing membrane composition and properties in direct response to the growth conditions of the organisms. The uniqueness of archaeal lipid structures and functions within membranes has prompted a great deal of interest in the use of natural lipids or synthetic analogues as innovative materials for the development of biotechnological applications. In this review, recent uses of diether-type and tetraether-type lipids as nanocarriers in the drug delivery field are discussed, with special attention to the promising oral/topical administration routes

Transformation of Pectins into Non-Ionic or Anionic Surfactants Using a One-Pot and Cascade Mode Process

International audienceThe present article describes the one-pot synthesis of double- and single-tailed surfactants by a cascade process that involves the hydrolysis/butanolysis of pectins into butyl galacturonate monosaccharides followed by transesterification/transacetalisation processes with fatty alcohols, and subsequent aqueous basic and acid treatments. The cascade mode allows the depolymerisation to proceed more efficiently, and the purification conditions are optimised to make the production of single-tailed surfactants more manufacturable. These products in a pure form or as mixtures with alkyl glycosides resulting from butanolysis and transglycosylation of pectin-derived hexoses, exhibit attractive surface-tension properties, especially for the n-oleyl ᴅ-galactosiduronic acid products. In addition, a readily biodegradability and an absence of aquatic ecotoxicity are shown for the galacturonic acid derivatives possessing an oleyl alkyl chain at the anomeric position

Coupled spin cross-over and ferroelasticity: revisiting the prototype [Fe(ptz)6](BF4)2 material

ABSTRACTSpin-crossover (SCO) materials exhibit thermal conversion from low to high-spin states. We review different models developed to describe this entropy-driven process and the occurrence of cooperative conversions resulting from elastic interactions. There is a growing number of SCO materials exhibiting unusual thermal conversions when symmetry breaking occurs. To illustrate the importance of considering both phenomena, we review studies of the prototype [Fe(ptz)6](BF4)2 system, exhibiting at atmospheric pressure a single step thermal transition with hysteresis, where a ferroelastic distortion occurs from the high-spin high-symmetry (HShs) phase, towards the low-spin low-symmetry (LSls) phase. Under pressure, sequential conversions occur on cooling from the HShs phase towards a high-spin low-symmetry (HSls) phase, followed by a spin crossover towards the LSls phase. In addition, a metastable low-spin high-symmetry (LShs) state forms upon fast cooling. We revisit this coupling and decoupling of spin crossover and ferroelastic phase transition through the Landau theory model adapted by Collet, which provides qualitative agreement with the experimental data, such as the phase diagram and the evolution of spin transition curves or lattice deformations under pressure. This Ferroelastic Instability coupled to Spin Crossover (FISCO) approach should be generalized to many materials undergoing coupled spin transition and symmetry breaking

High Deborah numbers in membrane-mimetic bolaamphiphile assemblies

International audienc