O.A. Alhaddad 1, H.A. Ahmed 2,3*, M. Hagar 2,4*, 1. College of Sciences, Chemistry Department, Madina Monawara, Taibah University, Saudi Arabia 2. College of Sciences, Chemistry Department, Yanbu, Taibah University, Saudi Arabia., (HA) ahoda@sci.cu.edu.eg, (MH) mohamedhaggar@gmail.com 3. Faculty of Science, Department of Chemistry, Cairo University, Cairo, Egypt. 4. Faculty of Science, Chemistry Department, Alexandria University, Alexandria, Egypt * Correspondence: H.A. Ahmed, ahoda@sci.cu.edu.eg; M. Hagar , mohamedhaggar@gmail.com. Received: date; Accepted: date; Published: date
o.a.a Alhaddad 1, h.a.a Ahmed 2,3*， M. Hagar 2,4*， 1。沙特Taibah大学Madina Monawara理学院化学系沙特阿拉伯泰巴大学延布分校理学院化学系。(HA) ahoda@sci.cu.edu.eg， (MH) mohamedhaggar@gmail.com3 .开罗大学化学系理学院，埃及开罗亚历山大大学化学系理学院，埃及亚历山大*通讯:H.A. Ahmed, ahoda@sci.cu.edu.eg;M. Hagar, mohamedhaggar@gmail.com。收到:日期;接受:日期;:发布日期
{"title":"Experimental and theoretical approaches of new nematogenic chair architectures of supramolecular H-bonded liquid crystals","authors":"M. Hagar, H. Ahmed","doi":"10.3390/ecsoc-23-06713","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06713","url":null,"abstract":"O.A. Alhaddad 1, H.A. Ahmed 2,3*, M. Hagar 2,4*, 1. College of Sciences, Chemistry Department, Madina Monawara, Taibah University, Saudi Arabia 2. College of Sciences, Chemistry Department, Yanbu, Taibah University, Saudi Arabia., (HA) ahoda@sci.cu.edu.eg, (MH) mohamedhaggar@gmail.com 3. Faculty of Science, Department of Chemistry, Cairo University, Cairo, Egypt. 4. Faculty of Science, Chemistry Department, Alexandria University, Alexandria, Egypt * Correspondence: H.A. Ahmed, ahoda@sci.cu.edu.eg; M. Hagar , mohamedhaggar@gmail.com. Received: date; Accepted: date; Published: date","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"159 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84679767","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}
Biljana M Šmit, P. Stanić, Marijana Zivkovic, Z. Ratković, Jovana Muskinja
Hydantoins and their sulfur containing analogues, thiohydantoins, are an important and interesting moiety. They represent a big group of structurally diverse compounds with intriguing physical, chemical and biological properties, which enabled them to be used in therapy, medicine in general, material science and industry. With the goal of broadening the set of potentially applicable hydantoin derivatives, we have synthesized a series of 2-thiohydantoins from vanillin and its derivatives, which themselves posses interesting biological properties. All compounds were fully characterized by NMR and IR spectroscopy. The compounds will be subjected to intensive biological screening to determine their biological properties and application opportunities.
{"title":"Thiohydantoins from vanillin and its derivatives - Synthesis and Characterization","authors":"Biljana M Šmit, P. Stanić, Marijana Zivkovic, Z. Ratković, Jovana Muskinja","doi":"10.3390/ecsoc-23-06656","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06656","url":null,"abstract":"Hydantoins and their sulfur containing analogues, thiohydantoins, are an important and interesting moiety. They represent a big group of structurally diverse compounds with intriguing physical, chemical and biological properties, which enabled them to be used in therapy, medicine in general, material science and industry. With the goal of broadening the set of potentially applicable hydantoin derivatives, we have synthesized a series of 2-thiohydantoins from vanillin and its derivatives, which themselves posses interesting biological properties. All compounds were fully characterized by NMR and IR spectroscopy. The compounds will be subjected to intensive biological screening to determine their biological properties and application opportunities.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86435679","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}
Anthracene fluorophore and an oxazine chromophore get coupled within the same molecular configuration to produce a molecular machine based receptor 1. On treatment with TFA, the oxazine closed form gets open in conjugation with the 1, 3, 3-Trimethylindoline species. This molecular change produces a bathochromic shift of 140nm directly from UV to Visible region in association with intense pink color. This molecule can be used as molecular ink to print a different colored decoration on paper. Upon addition with TEA, the colored open forms of the receptor revert to its original colorless form to rub the printed impression. Thus, the simple paper can be used for multiple times to achieve the write-read-erase strategy. This photoswitchable molecular motif can evolve many opportunities in the industry for printing purpose and huge paper consumption.
{"title":"Anthracene-Oxazine based reversible ink","authors":"Kunal Prakash, N. Khera","doi":"10.3390/ecsoc-23-06457","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06457","url":null,"abstract":"Anthracene fluorophore and an oxazine chromophore get coupled within the same molecular configuration to produce a molecular machine based receptor 1. On treatment with TFA, the oxazine closed form gets open in conjugation with the 1, 3, 3-Trimethylindoline species. This molecular change produces a bathochromic shift of 140nm directly from UV to Visible region in association with intense pink color. This molecule can be used as molecular ink to print a different colored decoration on paper. Upon addition with TEA, the colored open forms of the receptor revert to its original colorless form to rub the printed impression. Thus, the simple paper can be used for multiple times to achieve the write-read-erase strategy. This photoswitchable molecular motif can evolve many opportunities in the industry for printing purpose and huge paper consumption.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"116 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87811412","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}
E. Cabaleiro-Lago, J. Carrazana-García, Iván González-Veloso, J. Rodríguez-Otero
The interaction between extended aromatic species increases with system size at greater rate than interactions between aliphatic analogues or mixed aliphatic-aromatic ones. A series of complexes formed by benzene and cyclohexane with several acenes and their saturated derivatives has been computationally studied by using the TPSSD3BJ/def2-TZVPP level of calculation. Considering prototypical structures, the equilibrium distances and interaction energies of the complexes have been obtained. The results are used to check on the characteristics of similar π-extended π, sextended π, π-extended s and s-extended s complexes.
{"title":"Computational study of stacked complexes of aliphatic and aromatic species","authors":"E. Cabaleiro-Lago, J. Carrazana-García, Iván González-Veloso, J. Rodríguez-Otero","doi":"10.3390/ecsoc-23-06603","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06603","url":null,"abstract":"The interaction between extended aromatic species increases with system size at greater rate than interactions between aliphatic analogues or mixed aliphatic-aromatic ones. A series of complexes formed by benzene and cyclohexane with several acenes and their saturated derivatives has been computationally studied by using the TPSSD3BJ/def2-TZVPP level of calculation. Considering prototypical structures, the equilibrium distances and interaction energies of the complexes have been obtained. The results are used to check on the characteristics of similar π-extended π, sextended π, π-extended s and s-extended s complexes.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77074096","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}
S. Rajendran, C. Salas, Thalía Delgado, J. Bertrand, I. Brito
Graphical Abstract Abstract An attention to the novel synthetic route for the polycyclic quinolines ( 3 & 5 ) from cyclic-diketones, with o-aminoarylketones ( 1 ) in the presence of SiO 2 /H 2 SO 4 yielded via Friedlӓnder synthetic method. The catalytic efficiency of the SiO 2 /H 2 SO 4 was discussed through their utilization in the synthesis of biologically active substituted polycyclic quinoline derivatives ( 3 & 5 ) and the mechanism has been proposed. The SiO 2 /H 2 SO 4 was found as a effective catalyst for the Friedlӓnder reaction and gave considerable isolated yield of the targeted products under the mild reaction condition. The synthesized polycyclic quinolines ( 3 & 5 ) were characterized through diverse analytical techniques like FT-IR, NMR spectroscopy and single crystal X-ray diffraction studies.
{"title":"Synthesis of polycyclic quinolines using SiO2/H2SO4 via Friedlӓnder synthetic method","authors":"S. Rajendran, C. Salas, Thalía Delgado, J. Bertrand, I. Brito","doi":"10.3390/ecsoc-23-06491","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06491","url":null,"abstract":"Graphical Abstract Abstract An attention to the novel synthetic route for the polycyclic quinolines ( 3 & 5 ) from cyclic-diketones, with o-aminoarylketones ( 1 ) in the presence of SiO 2 /H 2 SO 4 yielded via Friedlӓnder synthetic method. The catalytic efficiency of the SiO 2 /H 2 SO 4 was discussed through their utilization in the synthesis of biologically active substituted polycyclic quinoline derivatives ( 3 & 5 ) and the mechanism has been proposed. The SiO 2 /H 2 SO 4 was found as a effective catalyst for the Friedlӓnder reaction and gave considerable isolated yield of the targeted products under the mild reaction condition. The synthesized polycyclic quinolines ( 3 & 5 ) were characterized through diverse analytical techniques like FT-IR, NMR spectroscopy and single crystal X-ray diffraction studies.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"23 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90772360","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":"VALIDATED STABILITY- INDICATING HPTLC METHOD FOR NINTEDANIB & CHARACTERIZATION OF DEGRADANTS BY LC-MSn","authors":"J. Seijas, M. Ghosh, D. Dutta, Soumyajit Das","doi":"10.3390/ecsoc-23-06502","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06502","url":null,"abstract":"","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87286933","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}
Abstract: Design and synthesis of conjugated organic polymers for electronic and optoelectronic applications, such as electrochromic devices (ECD), organic light emitting diodes (OLED), organic field effective transistors (OFET), lasers, photodiodes and solar cells, have an increasing momentum. Fused thiophenes, i.e. thieno[3,2-b]thiophenes (TT), have been widely accepted as important building blocks for such materials. In this work, 4-thieno[3,2-b]thiophen-3-ylbenzonitrile (TT-CN), having electron withdrawing cyano moiety, was polymerized with anthracene and biphenyl through Suzuki coupling to obtain the polymers. Electronic and optical properties of the resultant polymers were investigated. Effects of different molecular orientations of anthracene and biphenyl blocks in the polymer backbone were compared.
{"title":"Polymers of 4-Thieno[3,2-b]thiophen-3-ylbenzonitrile with Anthracene and Biphenyl: Their electronic and optoelectronic properties","authors":"T. Ozturk, Recep Isci, A. Yalın, Dilara Gunturkun","doi":"10.3390/ecsoc-23-06496","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06496","url":null,"abstract":"Abstract: Design and synthesis of conjugated organic polymers for electronic and optoelectronic applications, such as electrochromic devices (ECD), organic light emitting diodes (OLED), organic field effective transistors (OFET), lasers, photodiodes and solar cells, have an increasing momentum. Fused thiophenes, i.e. thieno[3,2-b]thiophenes (TT), have been widely accepted as important building blocks for such materials. In this work, 4-thieno[3,2-b]thiophen-3-ylbenzonitrile (TT-CN), having electron withdrawing cyano moiety, was polymerized with anthracene and biphenyl through Suzuki coupling to obtain the polymers. Electronic and optical properties of the resultant polymers were investigated. Effects of different molecular orientations of anthracene and biphenyl blocks in the polymer backbone were compared.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"61 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83693436","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":"Synthesis of Some new phthalizine dione derivatives with their anti-microbial and anti-cancer activity","authors":"S. E. Rayes, I. Ali, W. Ibrahim","doi":"10.3390/ecsoc-23-06609","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06609","url":null,"abstract":"","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"56 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79827456","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}
Cancer is one of the most researched areas nowadays due to the increasing incidences of cancer patients and unavailability of cheap and highly efficient drugs. Cancer is the uncontrolled proliferation of the body’s own cell. The cancer cells are dedifferentiated and lose their normal function. Cancer may be of two types metastatic and benign, out of which metastatic cancer is serious form. We are aware of the fact that the cancer cells differ from normal cells in many aspects. One such aspect is pH of cancer cells. The cancer cell has a pH lower than that of the normal cells of the body. In this research, we have prepared target-specific and pH-sensitive bioactive polymer using a combination of different natural polymer like polyvinyl alcohol, sodium alginate in a different ratio. Since, these polymers are pH sensitive, they will release the loaded drug only at the cancer site thus reducing the various side effects of the drug and drug toxicity.
{"title":"BIOACTIVE GRAFT CO-POLYMER FOR THE TREATMENT OF BREAST CANCER","authors":"Manik Ghosh, R. Samanta, Harish Singh","doi":"10.3390/ecsoc-23-06512","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06512","url":null,"abstract":"Cancer is one of the most researched areas nowadays due to the increasing incidences of cancer patients and unavailability of cheap and highly efficient drugs. Cancer is the uncontrolled proliferation of the body’s own cell. The cancer cells are dedifferentiated and lose their normal function. Cancer may be of two types metastatic and benign, out of which metastatic cancer is serious form. We are aware of the fact that the cancer cells differ from normal cells in many aspects. One such aspect is pH of cancer cells. The cancer cell has a pH lower than that of the normal cells of the body. In this research, we have prepared target-specific and pH-sensitive bioactive polymer using a combination of different natural polymer like polyvinyl alcohol, sodium alginate in a different ratio. Since, these polymers are pH sensitive, they will release the loaded drug only at the cancer site thus reducing the various side effects of the drug and drug toxicity.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"54 3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89686654","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}
In this study, 82 aurone compounds, a subclass of flavonoids were investigated towards to human pancreatic lipase inhibitory activity. Molecular docking of the aurones was done successfully into the catalytic position of lipase (Pdb: 1LPB) using AutoDock Vina software 1.5.7.rc1. The results showed that 62 compounds interacted well with residues in the catalytic trial Ser152-Asp176-His263 and Phe77 of protein 1LPB. In particular, A32 was selected as the best binding compound (docking score: -10.6 kcal.mol-1) and suitable for oral drug following the 5-Lipinski rule. Combining the results of docking and molecular dynamics simulation of A32protein complex during 10 ns, this study performed that the A32 compound bound well and formed a stable complex with 1LPB protein. Therefore, the A32 compound was considered as the lead compound which could be synthesized and tested for pancreatic lipase inhibitor.
{"title":"AURONE AS PROMISING HUMAN PANCREATIC LIPASE INHIBITORS THROUGH IN SILICO STUDY","authors":"Phuong D. Nguyen, D. Tran, H. Huynh","doi":"10.3390/ecsoc-23-06505","DOIUrl":"https://doi.org/10.3390/ecsoc-23-06505","url":null,"abstract":"In this study, 82 aurone compounds, a subclass of flavonoids were investigated towards to human pancreatic lipase inhibitory activity. Molecular docking of the aurones was done successfully into the catalytic position of lipase (Pdb: 1LPB) using AutoDock Vina software 1.5.7.rc1. The results showed that 62 compounds interacted well with residues in the catalytic trial Ser152-Asp176-His263 and Phe77 of protein 1LPB. In particular, A32 was selected as the best binding compound (docking score: -10.6 kcal.mol-1) and suitable for oral drug following the 5-Lipinski rule. Combining the results of docking and molecular dynamics simulation of A32protein complex during 10 ns, this study performed that the A32 compound bound well and formed a stable complex with 1LPB protein. Therefore, the A32 compound was considered as the lead compound which could be synthesized and tested for pancreatic lipase inhibitor.","PeriodicalId":20537,"journal":{"name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","volume":"125 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82249696","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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