Book of Proceedings: 1st International Conference on Chemo and BioInformatics,最新文献

{"title":"TOPOLOGICAL INDICES – WHY AND HOW","authors":"I. Gutman","doi":"10.46793/iccbi21.039g","DOIUrl":"https://doi.org/10.46793/iccbi21.039g","url":null,"abstract":"By means of presently available high-level computational methods, based on quantum theory, it is possible to determine (predict) the main structural, electronic, energetic, geometric, and thermodynamic properties of a particular chemical species (usually a molecule), as well as the ways in which it changes in chemical reactions. When one needs to estimate such properties of thousands or millions of chemical species, such high-level calculations are no more feasible. Then simpler, but less accurate, approaches are necessary. One such approach utilized so-called “topological indices”. According to IUPAC ‘s definition [Pure Appl. Chem. 69 (1997) 1137]: A topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In the first part of the lecture, we show that „numerical values“are associated with many other complex phenomena, encountered in various areas of human activity, implying that „topological indices“ are used far beyond chemistry. Next, we discuss the number of possible chemical compounds. Simple calculation shows that the number of possible compounds zillion times exceeds the number of those that have been experimentally characterized. Even worse, in the entire Universe, there is not enough matter to make at least a single molecule of each possible compound. In the second part of the lecture, a few most popular topological indices will be presented, as well as the way in which these can be (and are being) applied in treating real-world problems.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"105 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79536305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CYCLOOXYGENASE-2 AS „IN SILICO“ TARGET OF PHENOLIC HYDRAZONE- TYPE DERIVATIVES","authors":"Jovica Branković, V. Milovanović, V. Petrović","doi":"10.46793/iccbi21.324b","DOIUrl":"https://doi.org/10.46793/iccbi21.324b","url":null,"abstract":"In the present work, a series of phenolic hydrazone analogs were investigated in silico for their potential inhibitory activity toward COX-2. These examinations were based on the capability of hydrazone-based compounds to interact with numerous enzymes, as well as on their versatile biological features and therapeutical applications. COX-2 was selected due to its involvement in the inflammation and carcinogenesis processes. Regarding this, COX-2 represents a valid target for the development of compounds that could block the formation of harmful inflammation mediators.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76588845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"IMPACT ANALYSIS AND PREDICTION OF THE TOTAL NUMBER OF BACTERIA IN DIFFERENT RESERVOIRS USING SELAR INFORMATION SYSTEM","authors":"I. Radojević, A. Ostojić, N. Stefanović","doi":"10.46793/iccbi21.064r","DOIUrl":"https://doi.org/10.46793/iccbi21.064r","url":null,"abstract":"This study was performed using the SeLaR information system (IS). SeLaR IS combines relevant data on reservoirs in Serbia and enables advanced methods of analysis, such as statistical analysis and data mining. For the data analysis, three accumulations with different morphometric properties, trophic status, and dominant community of microorganisms were selected: Gruža, Grošnica, and Bovan. The material in this research is data sets that include standard routine and broader scientific hydrobiological tests of freshwater from certain periods. The data include physicochemical, biochemical, microbiological, and other biological parameters. The analysis aimed to determine the relationship between the entities, to discover unknown relations, the regularity in the dynamics of the specific characteristics, and for predictions. Classification, analysis of influential parameters, and scenario analysis were used for this analysis. The results indicate a clear classification of the values of the total number of bacteria. The obtained models have a small number of influential parameters (one to four) with a large relative impact for each class separately. Influence parameters are different for distinct accumulations. For prediction of the total number of bacteria selected tools did not provide satisfactory results for all three reservoirs.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"198 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77575227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"THE INFLUENCE OF ZNO NANOPARTICLES ON THE PROPERTIES OF HYPERBRANCHED ALKYD RESINS BASED ON CASTOR OIL","authors":"Sonja Stojanov, I. Bobinac, M. Jovičić, Olga M. Govedarica, J. Pavličević, Julijana Blagojević, Dragan D. Govedarica","doi":"10.46793/iccbi21.177s","DOIUrl":"https://doi.org/10.46793/iccbi21.177s","url":null,"abstract":"Hyperbranched alkyds based on trimethylolpropane, dimethylol propionic acid and castor oil were synthesized. The process implied preparing the three samples with ZnO nanoparticles in an amount of 0, 1, and 3 wt%. Commercial melamine resin was used as a crosslinking agent. Curing was carried out firstly in a drying oven at the 120 °C for half an hour, and afterward for seven days at room temperature. Thermal properties, physico-mechanical characteristics, and chemical resistance of cured coated were determined. An increasing amount of the ZnO nanoparticles in hyperbranched alkyd resins leads to the improvement of the properties of the cured coating. Based on the results, it was concluded that the hyperbranched alkyds with ZnO nanoparticles could be employed as binders in environment-friendly coatings due to lower viscosity (less content of organic solvent) compared to conventional alkyd resins.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78853725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"HOW TO COMPOSE A RESEARCH ARTICLE THAT EDITOR WILL ACCEPT AND READERS WILL CITE","authors":"Nenad Kostić","doi":"10.46793/iccbi21.044k","DOIUrl":"https://doi.org/10.46793/iccbi21.044k","url":null,"abstract":"Good scientific study must at the same time be original, correct, and significant. Such studies enhance the reputation of their coauthors and deserve to be published in good journals. Any two of the three requirements are easily achieved, but such studies would be unworthy of publication and would harm the reputation of its coauthors. After you and coworkers completed and skeptically verified a substantial study corresponding to a full article in a selective journal, continue expanding the study through additional research until you have enough material for two full articles. If the results and discussion of the two phases of the project agree with each other, then you should decide whether to submit them for publication separately or together, as one bigger article. Domestic academic customs notwithstanding, publishing fuller articles benefits science, the authors, and the readers alike. Inexperienced researchers struggle when writing manuscripts for publication because they deal with substance and form simultaneously. In this conference presentation I will explain an effective, much- tested method of separating the two aspects of writing. In short: completely outline the scientific content of the manuscript – procedures, results, discussion – before you begin composing sentences and grouping them into paragraphs. Figuratively speaking about making an imaginary animal, complete the skeleton and attach all muscles to it before you begin stretching the skin, which you will later decorate with fur and cover patches. Gradually develop the scientific content in outlines consisting of keywords and phrases, not sentences. Keep arranging and rearranging phrases and minimal summaries of results and their interpretations. Use signs such as ?? and !? for brevity. Acknowledge any gaps in evidence and weakness in your arguments, but emphasize findings that support your conclusion. Keep thinking of science, not of language. Connect assumptions and facts in cause-and-effect arguments leading to conclusions. At each stage of developing and expanding the outline double or triple the number of words or of lines. When the final, large outline is complete, take your mind away from the science and keep it on the language. Make paragraph the unit of presentation and reasoning; develop one theme or idea per paragraph. Make transitions between sentences within a paragraph and between paragraphs. Write clearly and concisely, omitting needless words. Put the drafts aside for a while between successive rounds of revising and editing so that you can see the text with fresh eyes each time. Follow the instructions of the journal to which you will submit the manuscript. If you write in a foreign language that you have not mastered, let a colleague who has mastered it review and edit your manuscript. Include as coauthors all those who have made major contributions to the study: ideas, important results, interpretation of important results, discussion, conclusions. Every coauth","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"196 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74492329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DISTRIBUTION OF ENDEMIC SPECIES „CERNOSVITOVIA DUDICHI“ IN SERBIA","authors":"Tanja B. Trakić, M. Stojanović, Filip Popović, S. Radosavljević, J. Sekulić","doi":"10.46793/iccbi21.230t","DOIUrl":"https://doi.org/10.46793/iccbi21.230t","url":null,"abstract":"The genus Cernosvitovia consists of nine species in the whole world. Out of the nine species, eight species are with primary distribution in the eastern part of the Balkan Peninsula (except Cernosvitovia schweigeri). In the Lumbricidae fauna of Serbia, seven species from this genus have been registered. Among them, 6 taxa are endemic. The aim of this paper is to present new data of the endemic species Cernosvitovia dudichi Zicsi & Šapkarev, 1982, based on the current taxonomic status of species, literature data, and our unpublished data. In this paper, we have summarized the knowledge on the geographic distribution, biology, and habitat C. dudichi in Serbia. Our recent investigations have revealed new records for C. dudichi in Central Serbia. After 30 years, this species was found in another place in this area, in Goč Mt. New locality suggests that C. dudichi possess a wider range than it was previously thought.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"340 1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77178605","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"THE INFLUENCE OF DIFFERENT NANOFILLERS ON THERMAL PROPERTIES OF ENVIRONMENTALLY FRIENDLY POLYURETHANE HYBRID MATERIALS","authors":"Jelena Lubura, O. Bera, M. Jovičić, Bojana Ikonić, P. Kojić, Dragan D. Govedarica, J. Pavličević","doi":"10.46793/iccbi21.113l","DOIUrl":"https://doi.org/10.46793/iccbi21.113l","url":null,"abstract":"In the past decade, the extensive research is focused to the structuring of novel thermoplastic segmented polycarbonate-based polyurethanes (PC-PUs) with a high range of potential application, due to their good biostability, biocompatibility, mechanical and thermal resistance, melt-processability and rubber like characteristics at the service temperature. In this work, a series of advanced polyurethane hybrid systems were prepared following one-step procedure and by varying the content (0, 1, 2, 5 or 10 wt%) of alumina, titania and zinc-oxide nanoparticles. The influence of filler type (Al2O3, TiO2 or ZnO) and its content on thermal properties of obtained nanocomposites (glass transition temperature and melting of hard domains) were studied by differential scanning calorimetry. The obtained DSC results revealed that that the obtained elastomeric materials are very promising for their potential use in the condition of high service temperatures.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77309245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"BLOOD FLOW IN CORONARY ARTERY BIFURCATION CALCULATED BY TURBULENT FINITE ELEMENT MODEL","authors":"A. Nikolic, M. Topalovic, M. Blagojevic, V. Simić","doi":"10.46793/iccbi21.235n","DOIUrl":"https://doi.org/10.46793/iccbi21.235n","url":null,"abstract":"Simulation of blood flow in this paper is analyzed using two-equation turbulent finite element model that can calculate values in the viscous sublayer. Implicit integration of the equations is used for determining the fluid velocity, fluid pressure, turbulence, kinetic energy, and dissipation of turbulent kinetic energy. These values are calculated in the finite element nodes for each step of incremental- iterative procedure. Developed turbulent finite element model, with the customized generation of finite element meshes, is used for calculating complex blood flow problems. Analysis of results showed that a cardiologist can use proposed tools and methods for investigating the hemodynamic conditions inside bifurcation of arteries.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"46 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78064438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DEVELOPMENT OF ELECTROSPUN POLY(VINYLPYRROLIDONE) (PVP) NANOFIBER MATS LOADED BY CALENDULA OFFICINALIS EXTRACT AND COENZYME Q10","authors":"Sanja Rackov, A. Nešić, M. Vraneš, B. Pilić","doi":"10.46793/iccbi21.169r","DOIUrl":"https://doi.org/10.46793/iccbi21.169r","url":null,"abstract":"Electrospun systems can be applied to various areas, particularly in biomedicine for skin treatment. The fabricated nanofibers represent an interconnected three-dimensional network with a high surface area to volume ratio providing structural and morphological similarities with the extracellular matrix. Hence, facilitate the removal of exudates, promote gaseous exchange, conform to the contour of the treated area and in the case of drug-loaded nanofibers resulting in improved bioavailability. Polyvinylpyrrolidone was selected as a polymer carrier due to its biocompatible, hydrophilic nature with good chemical and mechanical properties, approved by the U.S. FDA (Food and Drug Administration) as a safe polymer for biomedical and food applications. Calendula officinalis or Marigold extract is one of the oldest medical plants with numerous proven pharmacological effects including anti-inflammatory, antibacterial/antifungal and wound healing activity related to the components of the flowers such as sesquiterpenes, saponins, triterpenes, flavonoids. Coenzyme Q10 (CoQ10, Ubiquinone) is a naturally occurring oil-soluble antioxidant and anti-inflammatory agent that supports collagen production, mostly popularized as an anti-aging ingredient in skincare products for topical use. Novel Marigold extract and CoQ10–loaded polyvinylpyrrolidone nanofibers intended for skin treatment and wound therapy were developed using the electrospinning technique. The presence of functional groups on the nanofibrous surfaces was confirmed by FTIR analysis, the SEM images show the average size of the obtained nanomats and the thermal properties were investigated via DSC analysis.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87442095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"THE DAMPENING OF LIPID DROPLET OSCILLATORY MOVEMENT IN NITROGEN STARVED FILAMENTOUS FUNGI BY A LOW DOSE OF MITOCHONDRIAL RESPIRATION INHIBITOR","authors":"Tanja Pajić, M. Živić, M. Rabasović, A. Krmpot, N. Todorović","doi":"10.46793/iccbi21.226p","DOIUrl":"https://doi.org/10.46793/iccbi21.226p","url":null,"abstract":"Lipid droplets (LDs) are small mobile organelles conserved in all eukaryotic cells. We wanted to test if the LD movement can be muffled by an incomplete inhibition of mitochondrial respiration, induced by treating hyphae of filamentous fungus Phycomyces blakesleeanus with 0.5 mM sodium azide. Nitrogen starved hyphae were used, in order to obtain LDs in larger sizes and numbers. The data obtained unequivocally showed: 1. Sodium azide treatment dramatically reduces the LD velocity and the distances LDs travel; 2. LDs in both controls and in azide-treated hyphae oscillate in a small confined space instead of travelling through the cell; 3. Azide-treated LDs oscillate less frequently and in smaller confinement than controls.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"121 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83025641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}