Ozone treatment of aqueous solutions containing commercial dyes

Degradation by ozone and biodegradability were studied for two different families of non-biodegradable textile dyes(reactive dyes and direct dyes). 95% of color removal ofdye solutions was achieved with ozone dose of 2.5 ppm. However, ozone requirements for reactive dyes degradation were less than that of direct dyes for the same color removal level. Five days biological oxygen demand (BOD5) was found to increase during discoloration process while chemical oxygen demand (COD) decreased. The biodegradability index (BOD5/COD) increased up to 0.40 for most of the dye solutions when total discoloration was obtained. It implies that ozonation tends to enhance the biodegradability of solutions contain dye. Thus, this technique could be used as a pre-treatment step for conventional biological treatment of water-containing commercial dyes. The degradation of dyes by direct ozonation was well-represented by pseudo-first order kinetics

Coarse-Grained Models of Biological Membranes within the Single Chain Mean Field Theory

The Single Chain Mean Field theory is used to simulate the equilibrium structure of phospholipid membranes at the molecular level. Three levels of coarse-graining of DMPC phospholipid surfactants are present: the detailed 44-beads double tails model, the 10-beads double tails model and the minimal 3-beads model. We show that all three models are able to reproduce the essential equilibrium properties of the phospholipid bilayer, while the simplest 3-beads model is the fastest model which can describe adequately the thickness of the layer, the area per lipid and the rigidity of the membrane. The accuracy of the method in description of equilibrium structures of membranes compete with Monte Carlo simulations while the speed of computation and the mean field nature of the approach allows for straightforward applications to systems with great complexity.Comment: Accepted for publication in Soft Matte

Design of Fullerene20-thieno[2,3-c]pyrrole-4,6(5H)-dione-fullerene20 for Opto-nonlinear applications: Quantum Mechanical Study

Background: Many organic compounds are studied because of their nonlinear optical properties, which are crucial in photonics, optical switches, modulators, optical data storage, and other devices that use light to transport information. In experimental and theoretical researches, nonlinear optical phenomena, primarily resulting from interactions between matter and strong electric fields, have received considerable attention. Materials like these have numerous applications in science, engineering, and technology. Materials and Methods: Fullerene 20 has been adopted as an electron donor, which was considered an NLO molecular material, while the thieno[2,3-c]pyrrole-4,6(5H)-dione has been adopted as an electron acceptor. Fullerene20-thieno[2,3-c]pyrrole-4,6(5H)-dione-fullerene20 (FTPDF), as D-A-D, has been designed for nonlinear optical applications. Fullerene20-thieno[2,3-c]pyrrole-4,6(5H)-dione-fullerene20 (FTPDF) was studied to determine its linear and nonlinear optical properties. For FTPDF, nonlinear optical properties were calculated with DFT/B3LYP using the basis set 6-31G(d,p). Various quantum calculations determine the structural and symmetry properties of Fullerene20-thieno[2،3-c]pyrrole-4،6(5H)-dione-fullerene20. Results: The rotation increases the electric dipole moment µtot, average linear polarizability αo and the first hyperpolarizability βtot. And the anisotropic polarizability ∆α is smaller than the average polarizability, and the present structure has few deviations from spherical symmetry. FTPDF shows µx-switch behavior. In particular, the rotation can raise the possibility for a new type of molecular βx-switch. Conclusion: The Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO) energies estimated by DFT for the investigated molecules have been reported here. Fullerene20-thieno[2,3-c]pyrrole-4,6(5H)-dione-fullerene20 has an increased first hyperpolarizability, making it a novel material suitable for the development of optoelectronic devices

Manifestations of Referential and Methodological Dualities in Postcolonial Literary and Critical Discourse

Postcolonial discourse is a literary and critical postmodern discourse that operates both internally and externally, intertwining politics, knowledge, literary texts, and critical analysis to examine the effects of the postcolonial experience. This study aims to uncover the referential and methodological dualities that shape postcolonial discourse and guide its methodological approaches and tools. The study concluded that postcolonial discourse exhibits two main types of dualities. The first is referential dualities, which can be categorized into five types: colonial literature vs. postcolonial literature, colonialism vs. imperialism, postcolonial literature vs. postcolonial criticism, the relationship between innovation and tradition in postcolonial literature and criticism, and the intersection of Eastern and Western thought in shaping postcolonial discourse. The second type is methodological dualities, classified into four categories: the relationship between center and periphery, self vs. other, language and hybridity, and military colonialism vs. cultural colonialism. These referential and methodological dualities play a crucial role in shaping postcolonial discourse, both descriptively and analytically

Teorijsko ab initio proučavanje učinaka električnog polja na građu i stabilnost baznog para G:C

The effect of applied external electric field on DNA occurs mostly at high field intensity. The results of a theoretical ab initio study of effects of applied electric field on G:C base pair components are reported. The geometries of the local minima were optimized without the symmetry restrictions by the gradient procedure at density-functional level of the theory and were verified by calculations of the second derivative of energy. The standard CEP-31G basis set was used. The geometrical parameters, relative stability and interaction energies are reported. The electric field mutation could be classified as a multi-point mutation.Učinak vanjskog električnog polja na DNA javlja se najčešće za jaka polja. Izvješćujemo o ishodima proučavanja učinaka vanjskog električnog polja na sastavnice baznog para G:C polazeći od osnova teorije. Razmještaj lokalnih minimuma smo optimizirali bez ograničenja na uvjete simetrije rabeći gradijentan postupak na razini teorije funkcionala gustoće i provjerili računima drugih derivacija energije. Primijenili smo uobičajen osnovni skup CEP-31G. Izvješćujemo o promjenama razmaka, stabilnosti i energijama međudjelovanja. Mutacije električnim poljem mogle bi se razvrstati u višemjesne mutacije

Polycyclic Aromatic Hydrocarbons in Some Fishes from the Iraqi Marine Waters

This study represent the concentrations of 16 PAHs in 12 of commercial fish species (Euryglossa orientalis , Acanthopagrus araticus , Epinephelus coioides , Chirocentrus dorab , Scomberoidescommersonnianus , Scomberoides lysan , Otolithes ruber , Alepes diedaba , Tenualosa ilisha , Parastromateus niger , Pampus  argentetus , Ablennws hians ) . which were collected from the coastal area of the of Iraqi marine water during 2015. The analysis of Polycyclic Aromatic Hydrocarbons (PAHs) in fish muscles were determined using HPLC to identify the sources of PAHs, The total concentration of PAHs in fishes ranged between (0.432) ng/g dry weight in P. niger and (14.939) ng/g dry weight in  T. ilisha muscles . When we calculated the ratio of (Flouranthene to Pyrene)  and the ration of (Phenanthrene to Anthracene) and ratio of low molecular weight to high molecular weight of PAHs and the ration of Anthracene to (Anthracene + Phenanthrene ) and the ration of Benzo[a]anthracene to (Benzo[a]anthracene+ Chrysene), it is showed that the PAHs origin in fishes were Pyrogenic and Petrogenic . T. ilisha showns high ability to accumulate PAHs compounds  like Fluorene , Anthracene, Acenaphthene and Phenanthrene in muscles compared with other fishes ,  there was different ability of fish to accumulate  the PAHs from surrounded environments  . Keywords: PAHs compounds, HPLC, fishes, Iraqi marine water

Comparison of Feature Selection and Feature Extraction Role in Dimensionality Reduction of Big Data

Recently, researchers intensified their efforts on a dataset with a large number of features named Big Data because of the technological revolution and the development in the data science sector. Dimensionality reduction technology has efficient, effective, and influential methods for analyzing this data, which contains many variables. The importance of Dimensionality Reduction technology lies in several fields, including “data processing, patterns recognition, machine learning, and data mining”. This paper compares two essential methods of dimensionality reduction, Feature Extraction and Feature Selection Which Machine Learning models frequently employ. We applied many classifiers like (Support vector machines, k-nearest neighbors, Decision tree, and Naive Bayes ) to the data of the anthropometric survey of US Army personnel (ANSUR 2) to classify the data and test the relevance of features by predicting a specific feature in USA Army personnel results showing that (k-nearest neighbors) achieved high accuracy (83%) in prediction, then reducing the dimensions by several techniques like (Highly Correlated Filter, Recursive  Feature Elimination, and principal components Analysis) results showing that (Recursive  Feature Elimination) have the best accuracy by (66%), From these results, it is clear that the efficiency of dimension reduction techniques varies according to the nature of the data. Some techniques are more efficient than others in text data and others are more efficient in dealing with images

User acceptance of health information technologies (HIT): an application of the theory of planned behavior

Health Information Technologies (HIT) has a significant chance of enhancing the standard of medical treatment, but their acceptance faces major obstacles including low adoption rates and professional hesitancy. Limited research on HIT adoption, especially in poor nations, adds to this problem and clearly challenges health care managers and researchers. It emphasizes the need of knowing the elements influencing acceptance, choice, and usage of healthcare technology to improve user adoption willingness. Using past studies from several nations, this paper investigates the elements driving HIT adoption within the prism of the Theory of Planned Behavior (TPB). Using a Systematic Literature Review (SLR) under direction from the PRISMA framework guaranteed an open and exhaustive study. With eight publications compared to six from wealthy countries, the results expose a notable trend: emerging countries help more to promote HIT adoption research. Furthermore, the combination of TPB with other theories like the Technology Acceptance Model (TAM) provides a whole framework for grasp the elements influencing HIT uptake. Core TPB components include subjective norms, attitude, and perceived behavioral control are well known in industrialized nations and supported by TAM\u27s perceived utility and simplicity of use, along with demographic elements, therefore stressing a user-centric approach. Research on emerging nations, particularly China, shows, on the other hand, a wide spectrum of variables on HIT adoption including personal, technical, social, and institutional ones. The results greatly improve our knowledge of HIT adoption seen from the TPB perspective and provide insightful analysis for legislators developing sensible plans for HIT implementatio