Nuaman F. Alheety, Bilal J. M. Aldahham, Noureddine Raouafi, Ahmed M. Mohammed, Mustafa A. Alheety, Rafaâ Besbes
Biologically active benzimidazole derivatives are successfully prepared. The produced compound 2-hydrazinobenzimidazole (N1) and 5-methoxy-2-hydrazinobenzimidazole (N2) have been synthesized via reacting aqueous hydrazine with 2-mercaptobenzimidazole (MBI) and 5-methoxy-2-mercaptobenzimidazole (MMBI), respectively. These two compounds are used to prepare the compounds N3–N11. The synthesized compounds are characterized by physical and spectroscopic techniques. Molecular docking of synthesized compounds indicates that compound N5, N10, and N11 have good antitumor properties. Furthermore, the theoretical studies prove that all the synthetic compounds in the study showed good lipophilicity, with a range of 0.132–3.739.
{"title":"Molecular Docking Studies of Novel Benzimidazole Macromolecules","authors":"Nuaman F. Alheety, Bilal J. M. Aldahham, Noureddine Raouafi, Ahmed M. Mohammed, Mustafa A. Alheety, Rafaâ Besbes","doi":"10.1002/masy.202400232","DOIUrl":"https://doi.org/10.1002/masy.202400232","url":null,"abstract":"<p>Biologically active benzimidazole derivatives are successfully prepared. The produced compound 2-hydrazinobenzimidazole (<b>N1</b>) and 5-methoxy-2-hydrazinobenzimidazole (<b>N2</b>) have been synthesized via reacting aqueous hydrazine with 2-mercaptobenzimidazole (MBI) and 5-methoxy-2-mercaptobenzimidazole (MMBI), respectively. These two compounds are used to prepare the compounds <b>N3–N11</b>. The synthesized compounds are characterized by physical and spectroscopic techniques. Molecular docking of synthesized compounds indicates that compound <b>N5</b>, <b>N10</b>, and <b>N11</b> have good antitumor properties. Furthermore, the theoretical studies prove that all the synthetic compounds in the study showed good lipophilicity, with a range of 0.132–3.739.</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431619","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}
Elaf Abd Al-Hameed Shihab, Maysoon A. Hamad, Batool J. Jubair, Samer H. Ali, Mustafa A. Alheety
In this work, indole-3-carboxaldehyde is used as a synthon to prepare chalcone-based Schiff base. The reaction includes the treatment of indole-3-carboxaldehyde with 1-(4-amino-2-fluorophenyl)ethanone to afford ES1, which reacts with paramethylthiobenzaldehyde to give ES2 with high yield (>95%). The product is characterized by FTIR, CHN, melting point, and 1H NMR. The compound ES2 is decorated on the silver nanoparticles to give a nanoproduct named as Ag NPs-ES. The presented nanocomposite is characterized by XRD and TEM, and the results prove that the product is highly pure and formed as quasisphere nanoparticles within the range of 20–51 nm. The nanoproduct is used for the treatment of breast cancer cell lines (in vitro) that consist of 77% of invasive ductal carcinoma (IDC), 10% of invasive lobular carcinoma (ILC), and 2% of tubular carcinoma, in addition to 11% of invasive papillary, medullary carcinoma. The results demonstrate that the nanoproduct is able to give only 2% of cancer cell viability with IC50 equal to 1.726 mg/ml with no toxicity on the normal human cell line (HDFn).
{"title":"Highly Efficient Ultrasound-Assisted Synthesis, Characterization, and Antibreast Cancer (Invasive Ductal Carcinoma) of New Chalcone Based Compound and Its Nanohybrid With Silver Nanoparticles","authors":"Elaf Abd Al-Hameed Shihab, Maysoon A. Hamad, Batool J. Jubair, Samer H. Ali, Mustafa A. Alheety","doi":"10.1002/masy.202400235","DOIUrl":"https://doi.org/10.1002/masy.202400235","url":null,"abstract":"<p>In this work, indole-3-carboxaldehyde is used as a synthon to prepare chalcone-based Schiff base. The reaction includes the treatment of indole-3-carboxaldehyde with 1-(4-amino-2-fluorophenyl)ethanone to afford ES1, which reacts with paramethylthiobenzaldehyde to give ES2 with high yield (>95%). The product is characterized by FTIR, CHN, melting point, and <sup>1</sup>H NMR. The compound ES2 is decorated on the silver nanoparticles to give a nanoproduct named as Ag NPs-ES. The presented nanocomposite is characterized by XRD and TEM, and the results prove that the product is highly pure and formed as quasisphere nanoparticles within the range of 20–51 nm. The nanoproduct is used for the treatment of breast cancer cell lines (in vitro) that consist of 77% of invasive ductal carcinoma (IDC), 10% of invasive lobular carcinoma (ILC), and 2% of tubular carcinoma, in addition to 11% of invasive papillary, medullary carcinoma. The results demonstrate that the nanoproduct is able to give only 2% of cancer cell viability with IC<sub>50</sub> equal to 1.726 mg/ml with no toxicity on the normal human cell line (HDFn).</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431622","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}
The growth in the demand of sustainable materials being used in engineering has created a need for research into new and alternative materials. This research article is intended to explore the potential of hemp fiber composites in different promising areas, including environmentally friendly engineering applications. An in-depth analysis of hemp fiber properties has been conducted with a focus on the mechanical thermal and their chemical characteristics which makes hemp fiber more suitable in various engineering applications. Among the mechanical and thermal properties of hemp fiber reinforced composites, careful evaluation of tensile strength, elastic modulus, impact resistance and thermal stability is most important. A detailed study of basic processing methods has been conducted highlighting the recent advances and challenges in the extraction and preparation of hemp fibers. Further in this research the hemp is analyzed in comparison to other alternative materials including natural and synthetic fibres so that the unique benefits of hemp can be highlighted for various engineering applications. The environmental sustainability of hemp fiber composites is also thoroughly studied, emphasizing their biodegradability and positive contribution to life cycle assessment.
{"title":"Exploring the Potential of Hemp Fiber Composites for Sustainable Materials in Engineering Applications","authors":"Pulkit Srivastava, Ananda Babu Arumugam, Rajeev Kumar, Tarun Yadav, Serguei V. Savilov, Pawan Singh Dhapola, Anant Prakash Agrawal","doi":"10.1002/masy.202300255","DOIUrl":"https://doi.org/10.1002/masy.202300255","url":null,"abstract":"<p>The growth in the demand of sustainable materials being used in engineering has created a need for research into new and alternative materials. This research article is intended to explore the potential of hemp fiber composites in different promising areas, including environmentally friendly engineering applications. An in-depth analysis of hemp fiber properties has been conducted with a focus on the mechanical thermal and their chemical characteristics which makes hemp fiber more suitable in various engineering applications. Among the mechanical and thermal properties of hemp fiber reinforced composites, careful evaluation of tensile strength, elastic modulus, impact resistance and thermal stability is most important. A detailed study of basic processing methods has been conducted highlighting the recent advances and challenges in the extraction and preparation of hemp fibers. Further in this research the hemp is analyzed in comparison to other alternative materials including natural and synthetic fibres so that the unique benefits of hemp can be highlighted for various engineering applications. The environmental sustainability of hemp fiber composites is also thoroughly studied, emphasizing their biodegradability and positive contribution to life cycle assessment.</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431382","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}
Bhaskar Banerjee, Rajaneesh Kumar Verma, Nidhi Jain, Tarun Yadav, Mustafa A. Alheetyc, M. Z. A. Yahya, Munendra Singh, Vinay Kumar Verma, Ram Chandra Singh
The present study reports the synthesis of novel selenium containing 24 (1)- and 28 (2)-membered macrocyclic Schiff base ligands and their reactivity with Hg(II) metal ion to form complex 3 and 4, respectively. The synthesis of the ligands are carried out by a simple condensation of 2,6-dibenzoyl-4-methylphenol and bis(aminoethyl/propyl)selenides in [2+2] dipodal manner in dry acetonitrile solvent under inert atmosphere. Furthermore, the reaction between the 24- and 28-membered selenium containing ligands and Hg(II) metal ion are carried out in dry methanol in argon atmosphere. Following the complexation of both the ligands, 1 (C50H48O2N4Se2) and 2 (C54H56O2N4Se2) when reacted with HgBr2 yields monometallic complexes 3 and 4 with molecular composition of C50H50O3N4Se2HgBr2 and C54H58O3N4Se2HgBr2, respectively, as calculated via elemental analysis and mass spectrometry. Moreover, the synthesized compounds are also characterized by various physicochemical techniques to determine the structure and reactivity, which includes UV–vis, FT-IR, multinuclear (1H and 77Se) NMR, and cyclic voltammetry.
{"title":"Synthesis and Characterization of Novel Selenium Bearing 24- and 28-Membered Macrocyclic Schiff Bases and Their Reactivity with Hg (II) Ion","authors":"Bhaskar Banerjee, Rajaneesh Kumar Verma, Nidhi Jain, Tarun Yadav, Mustafa A. Alheetyc, M. Z. A. Yahya, Munendra Singh, Vinay Kumar Verma, Ram Chandra Singh","doi":"10.1002/masy.202400176","DOIUrl":"https://doi.org/10.1002/masy.202400176","url":null,"abstract":"<p>The present study reports the synthesis of novel selenium containing 24 (<b>1</b>)- and 28 (<b>2</b>)-membered macrocyclic Schiff base ligands and their reactivity with Hg(II) metal ion to form complex <b>3</b> and <b>4</b>, respectively. The synthesis of the ligands are carried out by a simple condensation of 2,6-dibenzoyl-4-methylphenol and bis(aminoethyl/propyl)selenides in [2+2] dipodal manner in dry acetonitrile solvent under inert atmosphere. Furthermore, the reaction between the 24- and 28-membered selenium containing ligands and Hg(II) metal ion are carried out in dry methanol in argon atmosphere. Following the complexation of both the ligands, <b>1</b> (C<sub>50</sub>H<sub>48</sub>O<sub>2</sub>N<sub>4</sub>Se<sub>2</sub>) and <b>2</b> (C<sub>54</sub>H<sub>56</sub>O<sub>2</sub>N<sub>4</sub>Se<sub>2</sub>) when reacted with HgBr<sub>2</sub> yields monometallic complexes <b>3</b> and <b>4</b> with molecular composition of C<sub>50</sub>H<sub>50</sub>O<sub>3</sub>N<sub>4</sub>Se<sub>2</sub>HgBr<sub>2</sub> and C<sub>54</sub>H<sub>58</sub>O<sub>3</sub>N<sub>4</sub>Se<sub>2</sub>HgBr<sub>2</sub>, respectively, as calculated via elemental analysis and mass spectrometry. Moreover, the synthesized compounds are also characterized by various physicochemical techniques to determine the structure and reactivity, which includes UV–vis, FT-IR, multinuclear (<sup>1</sup>H and <sup>77</sup>Se) NMR, and cyclic voltammetry.</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431511","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}
The unique properties of nanocones attract increasing attention from a scientific point of view due to their wide range of electronic applications. Band gap engineering in nanocones is a powerful technique for designing new devices for lasers, light-emitting diodes, flat panel displays, and solar cells. Therefore, in this research, a detailed theoretical study of the behavior of three different types of nanocones is presented, and one of its most notable findings is the band gaps reduction as a result of introducing the hydrogen atom outside nanocone. The study has presented a complete set of band gap calculations, considering not only pure nanocones, CNCs (carbon nanocones), BNNCs (born nitride nanocons), and SiCNCs (silicon carbide nanocons) but also endohedral and exohedral mono hydrogenated nanocones using density functional theory (DFT). The results show that the band reduction can be up to 72% due to mono hydrogenation of CBNCs as the band gap changes from 4.4 eV for pure BNNCs to 1.2 eV for mono hydrogenated BNNCs. The wide range of band gaps for various hydrogenated nanocones may allow the fundamental control needed to design next-generation electronic components.
{"title":"Band Gap Engineering of Nanocones via Mono-Hydrogenation","authors":"A. A. El-Barbary, S. M. Khurmy, Hind Adawi","doi":"10.1002/masy.202400002","DOIUrl":"https://doi.org/10.1002/masy.202400002","url":null,"abstract":"<p>The unique properties of nanocones attract increasing attention from a scientific point of view due to their wide range of electronic applications. Band gap engineering in nanocones is a powerful technique for designing new devices for lasers, light-emitting diodes, flat panel displays, and solar cells. Therefore, in this research, a detailed theoretical study of the behavior of three different types of nanocones is presented, and one of its most notable findings is the band gaps reduction as a result of introducing the hydrogen atom outside nanocone. The study has presented a complete set of band gap calculations, considering not only pure nanocones, CNCs (carbon nanocones), BNNCs (born nitride nanocons), and SiCNCs (silicon carbide nanocons) but also endohedral and exohedral mono hydrogenated nanocones using density functional theory (DFT). The results show that the band reduction can be up to 72% due to mono hydrogenation of CBNCs as the band gap changes from 4.4 eV for pure BNNCs to 1.2 eV for mono hydrogenated BNNCs. The wide range of band gaps for various hydrogenated nanocones may allow the fundamental control needed to design next-generation electronic components.</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431378","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}
Chong Jung Nam, Nur Fatini Ilyana Mohamat Johari, Sulaiman Khan, Siti Maznah Kabeb, Farah Hanani Zulkifli
The aim of this study is to analyze the effect of the crosslinking agent on the blend bioplolymerized hydroxyethyl cellulose and poly(vinyl alcohol) (PVA) with cellulose nanocrystal porous scaffolds. The hydroxyethyl cellulose/PVA/crystal nanocellulose (HEC/PVA/CNC) is crosslinked by using two different polymer solutions which are glutaraldehyde (GA) (1 wt.%) and calcium chloride (20 wt.%). The comparison on the physicochemical properties of the crosslinked scaffolds is characterized via field electron scanning electron microscope (FESEM), Fourier transform infrared (FTIR), TGA, degradation, and mechanical properties studies. The results show that the properties of fabricated scaffolds are improved by crosslinking process with more prominent results on GA organic compound. Overall, the HEC/PVA/CNC scaffolds are exhibited good physicochemical properties and can be considered as potential substrate for tissue engineering applications.
本研究旨在分析交联剂对羟乙基纤维素和聚乙烯醇(PVA)与纤维素纳米晶多孔支架共混生物聚合体的影响。羟乙基纤维素/聚乙烯醇(PVA)/纳米纤维素晶体(HEC/PVA/CNC)通过两种不同的聚合物溶液(戊二醛(GA)(1 wt.%)和氯化钙(20 wt.%))进行交联。通过场电子扫描电子显微镜(FESEM)、傅立叶变换红外光谱(FTIR)、热重分析(TGA)、降解和机械性能研究对交联支架的理化性能进行了比较。结果表明,交联过程改善了所制支架的性能,其中 GA 有机化合物的效果更为显著。总之,HEC/PVA/CNC 支架具有良好的理化性能,可作为组织工程应用的潜在基底。
{"title":"Effect of Crosslinking Agent on the Cellulose Nanocrystals Reinforced Hydroxyethyl Cellulose/Poly(Vinyl Alcohol) Scaffolds","authors":"Chong Jung Nam, Nur Fatini Ilyana Mohamat Johari, Sulaiman Khan, Siti Maznah Kabeb, Farah Hanani Zulkifli","doi":"10.1002/masy.202300264","DOIUrl":"https://doi.org/10.1002/masy.202300264","url":null,"abstract":"<p>The aim of this study is to analyze the effect of the crosslinking agent on the blend bioplolymerized hydroxyethyl cellulose and poly(vinyl alcohol) (PVA) with cellulose nanocrystal porous scaffolds. The hydroxyethyl cellulose/PVA/crystal nanocellulose (HEC/PVA/CNC) is crosslinked by using two different polymer solutions which are glutaraldehyde (GA) (1 wt.%) and calcium chloride (20 wt.%). The comparison on the physicochemical properties of the crosslinked scaffolds is characterized via field electron scanning electron microscope (FESEM), Fourier transform infrared (FTIR), TGA, degradation, and mechanical properties studies. The results show that the properties of fabricated scaffolds are improved by crosslinking process with more prominent results on GA organic compound. Overall, the HEC/PVA/CNC scaffolds are exhibited good physicochemical properties and can be considered as potential substrate for tissue engineering applications.</p>","PeriodicalId":18107,"journal":{"name":"Macromolecular Symposia","volume":"414 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143431383","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}
This issue of Macromolecular Symposia contains selected papers presented at the 2nd Online International Conference on Environment and Energy Materials 2023 (INCEEM-2023), held as a plenary talk in online conference in Sharda University, India from December 06 to December 09, 2023. The cover shows a figure provided by the Guest Editor, Pramod Kumar Singh.