Cytokines are small proteins that participate in many interactions between cells of the immune system as well as between many tissue cells including tumors. Currently, there is no universal classification of cytokines and they can be analyzed based on the cells that produce them or based on the type of activity. Cytokines have been studied for many years in medicine firstly in cancer patients in serum, but also in many other diseases including inflammation or other autoimmune diseases or other pathological conditions. Cytokines are still being discovered, and for many of them the structure, biological action and genes responsible for their regulation have already been determined. Bearing in mind that the development of technology has been developing enormously in the last period and those new methods of cytokine determination in various fluids and micro-concentrations are available to us. Here, the aim is to focus on the specific possibilities of determination and analysis of cytokine values in different tissues including cell culture supernatants, in individual cells as well as their genetic regulation. However, to understand their complex action in biological systems, including the pleiotropic effect of cytokines showing some time the overlap in the actions various models of analysis and interpretation of the obtained data are recommended today. This is especially complex and problematic in recent times of understanding the cytokine gene regulation and especially the possibility of their prediction. To resolve these problems, numerous databases have been created on the previously available experimental data, although their connection is not yet very clear. In addition, using integration of data, it is expected predict some models and systems in a specific situation, although it is still very difficult. So, aims are predict values in definitive situation and compare with some standards. Therefore, new methods of interpretation and new programs for analysis have been created. We expect that based on the new possibilities of analysis, better results will be achieved and that the role of these mediators for individual or personalized diagnosis or therapy in biomedicine will be determined.
{"title":"POSSIBILITIES OF CYTOKINE DETERMINATION AND THEIR ANALYSIS IN VARIOUS TISSUES","authors":"V. Jurišić","doi":"10.46793/iccbi21.089j","DOIUrl":"https://doi.org/10.46793/iccbi21.089j","url":null,"abstract":"Cytokines are small proteins that participate in many interactions between cells of the immune system as well as between many tissue cells including tumors. Currently, there is no universal classification of cytokines and they can be analyzed based on the cells that produce them or based on the type of activity. Cytokines have been studied for many years in medicine firstly in cancer patients in serum, but also in many other diseases including inflammation or other autoimmune diseases or other pathological conditions. Cytokines are still being discovered, and for many of them the structure, biological action and genes responsible for their regulation have already been determined. Bearing in mind that the development of technology has been developing enormously in the last period and those new methods of cytokine determination in various fluids and micro-concentrations are available to us. Here, the aim is to focus on the specific possibilities of determination and analysis of cytokine values in different tissues including cell culture supernatants, in individual cells as well as their genetic regulation. However, to understand their complex action in biological systems, including the pleiotropic effect of cytokines showing some time the overlap in the actions various models of analysis and interpretation of the obtained data are recommended today. This is especially complex and problematic in recent times of understanding the cytokine gene regulation and especially the possibility of their prediction. To resolve these problems, numerous databases have been created on the previously available experimental data, although their connection is not yet very clear. In addition, using integration of data, it is expected predict some models and systems in a specific situation, although it is still very difficult. So, aims are predict values in definitive situation and compare with some standards. Therefore, new methods of interpretation and new programs for analysis have been created. We expect that based on the new possibilities of analysis, better results will be achieved and that the role of these mediators for individual or personalized diagnosis or therapy in biomedicine will be determined.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"41 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79716538","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}
G. Cvijanović, Marija D. Bajagić, V. Đukić, Nenad A. Đurić
The application of methods in the field of biophysics, such as the pulsating electromagnetic field (PEMP) to biological organisms, many studies are performed that indicate specific changes and efficient action on various biochemical processes of cells in plants. The obtained results do not depend only on the plant species, but also on the climatic conditions, agrotechnical measures and exposure time, intensity and nature of the fields used in the research. The aim of the study was the effect of stimulation of soybean seeds with PEMP. Soybean seeds are rich in quality proteins, oils and fats. The three-year research period 2013-2015 implied different agrometeorological conditions. Soybean seeds of the Valjevka variety were used. Soybeans were grown with different amounts of organic granular poultry manure (control – no fertilization, 750 kg.ha-1 i 1300 kg.ha-1). Seed stimulation was performed before sowing with PEMP low frequency 15 Hz and exposure of 30 minutes. Seed stimulation efficiency was very pronounced because it statistically significantly (p <0.01) increased grain yield by 4.85% and protein content in grain by 3.52%.
{"title":"POSSIBILITY OF APPLICATION PULSATING ELECTROMAGNETIC FIELD IN A SAFER SOYBEAN PRODUCTION","authors":"G. Cvijanović, Marija D. Bajagić, V. Đukić, Nenad A. Đurić","doi":"10.46793/iccbi21.105c","DOIUrl":"https://doi.org/10.46793/iccbi21.105c","url":null,"abstract":"The application of methods in the field of biophysics, such as the pulsating electromagnetic field (PEMP) to biological organisms, many studies are performed that indicate specific changes and efficient action on various biochemical processes of cells in plants. The obtained results do not depend only on the plant species, but also on the climatic conditions, agrotechnical measures and exposure time, intensity and nature of the fields used in the research. The aim of the study was the effect of stimulation of soybean seeds with PEMP. Soybean seeds are rich in quality proteins, oils and fats. The three-year research period 2013-2015 implied different agrometeorological conditions. Soybean seeds of the Valjevka variety were used. Soybeans were grown with different amounts of organic granular poultry manure (control – no fertilization, 750 kg.ha-1 i 1300 kg.ha-1). Seed stimulation was performed before sowing with PEMP low frequency 15 Hz and exposure of 30 minutes. Seed stimulation efficiency was very pronounced because it statistically significantly (p <0.01) increased grain yield by 4.85% and protein content in grain by 3.52%.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85946096","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}
Modeling of heart wall deformation remains a challenge due to complex structure of tissue, which contains different group of cells and connective tissue. Muscle cells are dominant where, besides stresses coming from tissue deformation, active stresses are generated representing the load which produces heart motion and function. These cells form a helicoidal structure within so- called wall sheets and are considered as tissue fibers. Usual approach in the finite element (FE) discretization is to use 3D isoparametric elements. The dominant stresses lie in the sheet planes, while normal stresses in the wall normal directions are of the order smaller. Taking this stress state into account, we explore a possibility to model heart wall by membrane finite elements, hence considering the wall as a thick membrane (shell without bending effects). The membrane element is composite, containing layers over the thickness and variation of the direction of fibers. The formulated element is applied to a simplified left ventricle geometry to demonstrate a possibility to simulate heart mechanics by models which are much smaller and simpler for use than 3D conventional models.
{"title":"MEMBRANE FINITE ELEMENT FOR MODELING HEART WALL","authors":"M. Kojic","doi":"10.46793/iccbi21.040k","DOIUrl":"https://doi.org/10.46793/iccbi21.040k","url":null,"abstract":"Modeling of heart wall deformation remains a challenge due to complex structure of tissue, which contains different group of cells and connective tissue. Muscle cells are dominant where, besides stresses coming from tissue deformation, active stresses are generated representing the load which produces heart motion and function. These cells form a helicoidal structure within so- called wall sheets and are considered as tissue fibers. Usual approach in the finite element (FE) discretization is to use 3D isoparametric elements. The dominant stresses lie in the sheet planes, while normal stresses in the wall normal directions are of the order smaller. Taking this stress state into account, we explore a possibility to model heart wall by membrane finite elements, hence considering the wall as a thick membrane (shell without bending effects). The membrane element is composite, containing layers over the thickness and variation of the direction of fibers. The formulated element is applied to a simplified left ventricle geometry to demonstrate a possibility to simulate heart mechanics by models which are much smaller and simpler for use than 3D conventional models.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"79 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85956532","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}
J. Sekulić, M. Stojanović, Tanja B. Trakić, Filip Popović
Đerdap National Park is located in the southeastern part of Europe, in the northeastern part of Serbia, on the border with Romania. This paper presents the currently known records on the diversity of earthworm fauna in Đerdap National Park. The number of species from family Lumbricidae known to be occurring in the studied region is 29 species from 11 genera. The genera with the largest number of the registered taxa are Dendrobaena (8) and Aporrectodea (7). A third of all species are peregrines (37.93%). Trans-Aegean species take part with 13.8%, followed by endemic, Central European, Balkanic-Alpine (10.34%). Then follow Illyric (6.90%) and slightly less Moesian, Circum- Mediterranean, and Southern-Alpine (3.45%). Endemic species take a part with three taxa. Only one species (Allolobophora mehadiensis boscaiui (Pop, 1948)) is Dacian endemic. The obtained results indicate a diverse Lumbricidae fauna. It is certainly necessary to continue with intensive research in order to preserve the biological diversity of this area.
{"title":"RESEARCH ON THE FAUNA OF EARTHWORMS (OLIGOCHAETA, LUMBRICIDAE) IN ĐERDAP NATIONAL PARK","authors":"J. Sekulić, M. Stojanović, Tanja B. Trakić, Filip Popović","doi":"10.46793/iccbi21.202s","DOIUrl":"https://doi.org/10.46793/iccbi21.202s","url":null,"abstract":"Đerdap National Park is located in the southeastern part of Europe, in the northeastern part of Serbia, on the border with Romania. This paper presents the currently known records on the diversity of earthworm fauna in Đerdap National Park. The number of species from family Lumbricidae known to be occurring in the studied region is 29 species from 11 genera. The genera with the largest number of the registered taxa are Dendrobaena (8) and Aporrectodea (7). A third of all species are peregrines (37.93%). Trans-Aegean species take part with 13.8%, followed by endemic, Central European, Balkanic-Alpine (10.34%). Then follow Illyric (6.90%) and slightly less Moesian, Circum- Mediterranean, and Southern-Alpine (3.45%). Endemic species take a part with three taxa. Only one species (Allolobophora mehadiensis boscaiui (Pop, 1948)) is Dacian endemic. The obtained results indicate a diverse Lumbricidae fauna. It is certainly necessary to continue with intensive research in order to preserve the biological diversity of this area.","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":"75617863","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}
C. Santi, L. Sancineto, Francesca Mangiavacchi, Cecilia Scimmi, Sougat Misra
Ebselent has been recently reported as the most efficient hinibitors of Sars-Cov-2 main protease (Mpro) thought the electrophilic covalent pro-oxidation of the reactive Cysteine 145. According to similar evidences in literature we can propose a general mechanism to explore a novel and promising application of mild organoselenium centered electrophiles in medicinal chemistry. New insights in the field of covalent and non-covalent inhibition of Mpro as well as the antiviral SARS-Cov2 activity of novel organoselenium compounds will be here discussed
{"title":"ELECTROPHILIC ORGANOSELENIUM COMPOUNDS AND SARS-COV-2: PRO-OXIDANT ACTIVITY AS A MORE PROMISING WAY TOWARDS THE DRUGGABILITY","authors":"C. Santi, L. Sancineto, Francesca Mangiavacchi, Cecilia Scimmi, Sougat Misra","doi":"10.46793/iccbi21.020s","DOIUrl":"https://doi.org/10.46793/iccbi21.020s","url":null,"abstract":"Ebselent has been recently reported as the most efficient hinibitors of Sars-Cov-2 main protease (Mpro) thought the electrophilic covalent pro-oxidation of the reactive Cysteine 145. According to similar evidences in literature we can propose a general mechanism to explore a novel and promising application of mild organoselenium centered electrophiles in medicinal chemistry. New insights in the field of covalent and non-covalent inhibition of Mpro as well as the antiviral SARS-Cov2 activity of novel organoselenium compounds will be here discussed","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72581842","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}
EURADOS, European Radiation Dosimetry Group defined six tasks in computational dosimetry. All tasks were about dose calculation in voxelized human phantoms in various irradiation scenarios. Authors of this work have been involved in all given tasks and send their solutions to the organizer. International comparison of presented tasks has shown some difference between different software used in calculations.
{"title":"COMPUTATIONAL DOSIMETRY- INTERNATIONAL COMPARISON OF DIFFERENT SIMULATIONAL SOFTWARE WITHIN EURADOS ORGANISATION 2021ICCBIKG (2021)","authors":"D. Nikezic, Dragana Krastić","doi":"10.46793/iccbi21.026n","DOIUrl":"https://doi.org/10.46793/iccbi21.026n","url":null,"abstract":"EURADOS, European Radiation Dosimetry Group defined six tasks in computational dosimetry. All tasks were about dose calculation in voxelized human phantoms in various irradiation scenarios. Authors of this work have been involved in all given tasks and send their solutions to the organizer. International comparison of presented tasks has shown some difference between different software used in calculations.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"25 2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77512265","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}
Nina Pavlovic, T. Miladinović, D. Stojanović, A. Miladinović, M. Jeremic
To identify the best treatment technique for patients with left-sided breast cancer, we compared plans obtained with a hybrid intensity-modulated radiation therapy (hIMRT) and conventional three- dimensional conformal radiation therapy (3D-CRT). Dosimetric indices for PTVs and OARs were calculated. Also, the dose coverage, homogeneity index, conformity index of the target, and the dose volumes of critical structures were analyzed. A sample of seven patients who were selected randomly treated in University Clinical Center Kragujevac between 2019 and 2020 was selected for the study. Therapy plans for both techniques were made with an ECLIPSE treatment planning system for each patient based on the same images and contours. The hybrid IMRT technique consists of two static opposed tangential fields and four optimized IMRT fields (dose ratio 70:30). For 3D-CRT planning, one isocenter with half-beam blocked tangential fields with wedges was used. All treatment plans were generated with 6 MV photon beam. Hybrid IMRT plans compared to the 3D-CRT resulted in better dose delivered to 95% (D95) of the planning target volume (PTV) and better heterogeneity HI and conformity CI. Protection for critical organs such as the heart, lungs, and contralateral breast is slightly worse than those obtained by 3D-CRT.
{"title":"HYBRID IMRT RADIATION TECHNIQUE COMPARISON WITH 3D-CRT FOR LEFT-SIDED WHOLE BREAST CANCER","authors":"Nina Pavlovic, T. Miladinović, D. Stojanović, A. Miladinović, M. Jeremic","doi":"10.46793/iccbi21.153p","DOIUrl":"https://doi.org/10.46793/iccbi21.153p","url":null,"abstract":"To identify the best treatment technique for patients with left-sided breast cancer, we compared plans obtained with a hybrid intensity-modulated radiation therapy (hIMRT) and conventional three- dimensional conformal radiation therapy (3D-CRT). Dosimetric indices for PTVs and OARs were calculated. Also, the dose coverage, homogeneity index, conformity index of the target, and the dose volumes of critical structures were analyzed. A sample of seven patients who were selected randomly treated in University Clinical Center Kragujevac between 2019 and 2020 was selected for the study. Therapy plans for both techniques were made with an ECLIPSE treatment planning system for each patient based on the same images and contours. The hybrid IMRT technique consists of two static opposed tangential fields and four optimized IMRT fields (dose ratio 70:30). For 3D-CRT planning, one isocenter with half-beam blocked tangential fields with wedges was used. All treatment plans were generated with 6 MV photon beam. Hybrid IMRT plans compared to the 3D-CRT resulted in better dose delivered to 95% (D95) of the planning target volume (PTV) and better heterogeneity HI and conformity CI. Protection for critical organs such as the heart, lungs, and contralateral breast is slightly worse than those obtained by 3D-CRT.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81125897","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}
Selective laser sintering (SLS) is a rapid prototyping technique for the production of 3D objects through selectively sintering powder-based layers materials by combinations of energy from the laser beam and the heated chamber of the printer. The aim of the study was to investigate the effect of laser speed and formulation factors on printability and characteristics of SLS irbesartan tablets. Physical mixtures of hydroxypropylmethylcellulose (46-91%), Candurin® Gold Sheen (3%), colloidal silicon dioxide (1%), and irbesartan (5%) were prepared. Afterward, crospovidone (1-5%), Kollidon®VA 64 Fine (20%), and/or lactose monohydrate (20-45%) were added. Sintratec Kit SLS printer (Sintratec AG, Switzerland) was used for printing tablets. The decision tree model was applied to classify printability factors. Characterization of tablets was done in terms of physicochemical, mechanical and biopharmaceutical characteristics. Correlation between formulation factors, laser speed, and printability was obtained using decision tree model with an accuracy of 80%. FTIR results revealed that there was no interaction between irbesartan and applied excipients. DSC indicated that irbesartan was present in an amorphous form in printed tablets. It was observed that laser speed had a negative effect on weight. Tuning the drug release by laser speed was possible although lactose monohydrate reduced its impact because it was required higher energy for the sintering process. Results suggest that decision tree could be useful tool for predicting the printability of pharmaceutical formulations. Tailoring characteristics of SLS irbesartan tablets by laser speed is possible, however, it needs to be governed by the composition of the whole formulation.
{"title":"UNDERSTANDING EFFECT OF LASER SPEED AND FORMULATION FACTORS ON PRINTABILITY AND CHARACTERISTICS OF SLS IRBESARTAN TABLETS- APPLICATION OF DECISION TREE MODEL 2021ICCBIKG (2021)","authors":"Marijana Madžarević, S. Ibrić","doi":"10.46793/iccbi21.129m","DOIUrl":"https://doi.org/10.46793/iccbi21.129m","url":null,"abstract":"Selective laser sintering (SLS) is a rapid prototyping technique for the production of 3D objects through selectively sintering powder-based layers materials by combinations of energy from the laser beam and the heated chamber of the printer. The aim of the study was to investigate the effect of laser speed and formulation factors on printability and characteristics of SLS irbesartan tablets. Physical mixtures of hydroxypropylmethylcellulose (46-91%), Candurin® Gold Sheen (3%), colloidal silicon dioxide (1%), and irbesartan (5%) were prepared. Afterward, crospovidone (1-5%), Kollidon®VA 64 Fine (20%), and/or lactose monohydrate (20-45%) were added. Sintratec Kit SLS printer (Sintratec AG, Switzerland) was used for printing tablets. The decision tree model was applied to classify printability factors. Characterization of tablets was done in terms of physicochemical, mechanical and biopharmaceutical characteristics. Correlation between formulation factors, laser speed, and printability was obtained using decision tree model with an accuracy of 80%. FTIR results revealed that there was no interaction between irbesartan and applied excipients. DSC indicated that irbesartan was present in an amorphous form in printed tablets. It was observed that laser speed had a negative effect on weight. Tuning the drug release by laser speed was possible although lactose monohydrate reduced its impact because it was required higher energy for the sintering process. Results suggest that decision tree could be useful tool for predicting the printability of pharmaceutical formulations. Tailoring characteristics of SLS irbesartan tablets by laser speed is possible, however, it needs to be governed by the composition of the whole formulation.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"55 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74859321","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}
N. Stevanović, M. Stankovic, Tina P. Andrejević, Darko P Ašanin, Ivana M. Stanojević, Biljana Đ. Glišić
Aromatic nitrogen-containing heterocycles (N-heterocycles) have attracted a considerable attention as scaffolds for compounds, which have an application in different pharmacological areas, ranging from vitamins to different antimicrobial and antitumor agents. In this respect, azoles are of special importance as potent and broad-spectrum agents used for the treatment of many invasive fungal infections. In the present study, the interaction of the clinically used antifungal drug fluconazole (fcz) and its copper(II) and zinc(II) complexes, {[CuCl2(fcz)2].5H2O}n (1) and {[ZnCl2(fcz)2]·2C2H5OH}n (2), with calf thymus DNA (ct- DNA) and bovine serum albumin (BSA) has been investigated. Fluorescence emission spectroscopy was applied for the binding study of complexes 1 and 2 and fcz with ct-DNA and BSA, while cyclic voltammetry was additionally used for investigation of their interactions with ct-DNA. The values of calculated binding constants (KA) of the investigated compounds towards ct-DNA and BSA follow the order fcz < 1 < 2 and 2 < fcz < 1, respectively.
{"title":"DNA AND BSA INTERACTIONS OF COPPER(II) AND ZINC(II) COMPLEXES WITH ANTIFUNGAL AGENT FLUCONAZOLE","authors":"N. Stevanović, M. Stankovic, Tina P. Andrejević, Darko P Ašanin, Ivana M. Stanojević, Biljana Đ. Glišić","doi":"10.46793/iccbi21.399s","DOIUrl":"https://doi.org/10.46793/iccbi21.399s","url":null,"abstract":"Aromatic nitrogen-containing heterocycles (N-heterocycles) have attracted a considerable attention as scaffolds for compounds, which have an application in different pharmacological areas, ranging from vitamins to different antimicrobial and antitumor agents. In this respect, azoles are of special importance as potent and broad-spectrum agents used for the treatment of many invasive fungal infections. In the present study, the interaction of the clinically used antifungal drug fluconazole (fcz) and its copper(II) and zinc(II) complexes, {[CuCl2(fcz)2].5H2O}n (1) and {[ZnCl2(fcz)2]·2C2H5OH}n (2), with calf thymus DNA (ct- DNA) and bovine serum albumin (BSA) has been investigated. Fluorescence emission spectroscopy was applied for the binding study of complexes 1 and 2 and fcz with ct-DNA and BSA, while cyclic voltammetry was additionally used for investigation of their interactions with ct-DNA. The values of calculated binding constants (KA) of the investigated compounds towards ct-DNA and BSA follow the order fcz < 1 < 2 and 2 < fcz < 1, respectively.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"138 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86824025","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}
V. Simić, Jessica Domitrovic, M. Milošević, B. Milićević, A. Holder, M. Kojic
Cytoreductive surgery (CRS) combined with hyperthermic intraperitoneal chemotherapy (HIPEC) has become an essential part of the management of peritoneal carcinomatosis [1,2]. HIPEC is a cancer treatment procedure that involves filling the abdominal cavity with chemotherapy drugs that have been heated (also known as “hot chemotherapy”). HIPEC is performed after the surgical procedure of removing tumors or lesions from the abdominal area. In the past 30 years, the approach of combining CRS with minimal residual disease and intraperitoneal (IP) chemotherapy emerged as one with a potential for long-term survival. Multiple strategies have been employed to measure the functional peritoneal surface area and determine the required perfusion volume. For that purpose, we have developed a novel computational model (consisted from peritoneal cavity with immersed organs, generated from STL files), with precisely calculated functional peritoneal surface area and cavity volume (for each patient). Using finite element procedure, we have managed to model a heat transfer inside the cavity, coupled with fluid flow. Further, we summarized solutions for velocity and temperature field, obtained using our software package PAK accompanied by the visualization in-house CAD software. Aim is to develop a novel protocol to calculate optimal volume of perfusion that could be easily integrated into the preoperative procedure and to help surgeons to deliver a precise dose of chemotherapy to the peritoneum cavity.
{"title":"COMPUTATIONAL MODEL FOR HEAT TRANSFER COUPLED WITH FLUID FLOW WITHIN PERITONEAL CAVITY","authors":"V. Simić, Jessica Domitrovic, M. Milošević, B. Milićević, A. Holder, M. Kojic","doi":"10.46793/iccbi21.271s","DOIUrl":"https://doi.org/10.46793/iccbi21.271s","url":null,"abstract":"Cytoreductive surgery (CRS) combined with hyperthermic intraperitoneal chemotherapy (HIPEC) has become an essential part of the management of peritoneal carcinomatosis [1,2]. HIPEC is a cancer treatment procedure that involves filling the abdominal cavity with chemotherapy drugs that have been heated (also known as “hot chemotherapy”). HIPEC is performed after the surgical procedure of removing tumors or lesions from the abdominal area. In the past 30 years, the approach of combining CRS with minimal residual disease and intraperitoneal (IP) chemotherapy emerged as one with a potential for long-term survival. Multiple strategies have been employed to measure the functional peritoneal surface area and determine the required perfusion volume. For that purpose, we have developed a novel computational model (consisted from peritoneal cavity with immersed organs, generated from STL files), with precisely calculated functional peritoneal surface area and cavity volume (for each patient). Using finite element procedure, we have managed to model a heat transfer inside the cavity, coupled with fluid flow. Further, we summarized solutions for velocity and temperature field, obtained using our software package PAK accompanied by the visualization in-house CAD software. Aim is to develop a novel protocol to calculate optimal volume of perfusion that could be easily integrated into the preoperative procedure and to help surgeons to deliver a precise dose of chemotherapy to the peritoneum cavity.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91530026","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}
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