Macromolecular Symposia最新文献

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Formation of Zeolitic Imidazolate Frameworks-8 (ZIF-8) Using Microwave Assisted Hydrothermal Technique 利用微波辅助水热技术形成沸石咪唑酸框架-8 (ZIF-8)
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400066
Shantidevi Dhanasegaran, Yiin Jian Low, Kieng Hang Chin, Nurul Huda Osman, Mazliana Ahmad Kamarudin, Yap Wing Fen, Ikhwan Syafiq Mohd Noor, Mohd Hafizuddin Ab Ghani, Han Kee Lee, Sarva Mangala Praveena, Toto Sudiro, Zainal Abidin Talib, Josephine Ying Chyi Liew
{"title":"Formation of Zeolitic Imidazolate Frameworks-8 (ZIF-8) Using Microwave Assisted Hydrothermal Technique","authors":"Shantidevi Dhanasegaran,&nbsp;Yiin Jian Low,&nbsp;Kieng Hang Chin,&nbsp;Nurul Huda Osman,&nbsp;Mazliana Ahmad Kamarudin,&nbsp;Yap Wing Fen,&nbsp;Ikhwan Syafiq Mohd Noor,&nbsp;Mohd Hafizuddin Ab Ghani,&nbsp;Han Kee Lee,&nbsp;Sarva Mangala Praveena,&nbsp;Toto Sudiro,&nbsp;Zainal Abidin Talib,&nbsp;Josephine Ying Chyi Liew","doi":"10.1002/masy.202400066","DOIUrl":"https://doi.org/10.1002/masy.202400066","url":null,"abstract":"<p>Zeolitic Imidazolate Frameworks-8 (ZIF-8) have emerged as a promising class of porous Metal-Organic Framework materials with a wide range of applications due to their tunable characteristics. This study presents the synthesis of ZIF-8 using the microwave-assisted hydrothermal method in an aqueous solution to investigate the efficiency and characteristics of ZIF-8. The synthesis process involves a 15 min microwave irradiation at 180 °C with a mixture of zinc nitrate solution with 2-methyl imidazole in deionized water with triethylamine. The rapid synthesis yields pure ZIF-8 crystals, as validated by X-ray diffraction, energy-dispersive X-ray spectroscopy, and Fourier-Transform Infrared spectroscopy. The formation of ZIF-8 displays two distinct crystal shapes, with an average size of 0.510 µm, a direct band gap of 4.94 eV as well a BET surface area of 1652.06 m<sup>2</sup> g<sup>−1</sup>. The high-quality ZIF-8 produced is ideal for catalysis, gas separation, and other applications, suitable for commercial-scale production.</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":"143431302","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}
引用次数: 0
Synthesis, Characterization, and Brine Shrimp (Artemia salina) Toxicity Evaluation of Nanocomposites Carrier Phytic Acid/Chitosan/Magnetic Iron Oxide Nanoparticles 载体植酸/壳聚糖/磁性氧化铁纳米颗粒纳米复合材料的合成、表征和盐水虾(Artemia salina)毒性评估
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400237
Monica Namizie Asey, Che Azurahanim Che Abdullah, Mohamed Abdelmonem, Norhaizan Mohd Esa, Mohd Basyaruddin Abdul Rahman
{"title":"Synthesis, Characterization, and Brine Shrimp (Artemia salina) Toxicity Evaluation of Nanocomposites Carrier Phytic Acid/Chitosan/Magnetic Iron Oxide Nanoparticles","authors":"Monica Namizie Asey,&nbsp;Che Azurahanim Che Abdullah,&nbsp;Mohamed Abdelmonem,&nbsp;Norhaizan Mohd Esa,&nbsp;Mohd Basyaruddin Abdul Rahman","doi":"10.1002/masy.202400237","DOIUrl":"https://doi.org/10.1002/masy.202400237","url":null,"abstract":"<p>The use of polymer-coated magnetic iron oxide nanoparticles (MIONs) to deliver drugs to a specific target site is among the most efficient strategies. We have developed MIONs coated with chitosan (CS) polymer, preloaded with the phytodrug phytic acid (PTA), for drug delivery applications. To fully understand the crystalline structure and surface morphology of the prepared composite nanocarrier, it is thoroughly characterised by powder X-Ray Diffraction, Fourier transform infrared spectroscopy, thermogravimetric analyses, vibrational sample magnetometer, and transmission electron microscopy. Additionally, brine shrimp (<i>Artemia salina</i>) are used to assess the in vitro toxicity of phytodrug-loaded MIONs-CS nanostructures. Our studies on brine shrimp have demonstrated that both the phytodrug and nanocomposite have excellent activity. As a result, our PTA-loaded MIONs/CS nanocomposite can be recommended for real-time diagnostic CS.</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":"143431408","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}
引用次数: 0
Concentration and Temperature Level Influenced the Optical Properties of Citrus Peel-Based Edible Film 浓度和温度水平影响柑橘皮食用薄膜的光学特性
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202300218
Gracella Kusuma, Vincensius Marcellino, Ata Aditya Wardana, R. Haryo Bimo Setiarto
{"title":"Concentration and Temperature Level Influenced the Optical Properties of Citrus Peel-Based Edible Film","authors":"Gracella Kusuma,&nbsp;Vincensius Marcellino,&nbsp;Ata Aditya Wardana,&nbsp;R. Haryo Bimo Setiarto","doi":"10.1002/masy.202300218","DOIUrl":"https://doi.org/10.1002/masy.202300218","url":null,"abstract":"<p>The use of plastic as a primary material for food packaging is on the rise. Edible films have been extensively developed as an alternative to replace plastic. This study aims to ascertain the formulation of edible film made from citrus peel pectin concentrations (0.5%, 1%, 1.5%, 2%, and 2.5%) and temperature treatments (80 and 25 °C). The results indicate that an increase in pectin concentration in the edible film formulation significantly influences an increase in thickness and a decrease in transparency and light transmittance in the entire visible light range (400–700 nm) (<i>p</i> &lt; 0.05). Meanwhile, heat treatment on the edible film has significantly impact only on the transparency and light transmission. The ∆<i>E</i> and light transmission values range from 3.48 to 9.69 (without heat), 3.59 to 11.52 (heat treatment) and 0.85 to 87.55 (without heat), 0.6 to 89.35 (heat treatment), respectively. Thus, the study concludes that orange peel-based pectin demonstrates potential as a material for the development of edible film.</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":"143431414","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}
引用次数: 0
Fiberglass Interwoven Substrate Laminated Penta-Band Microstrip Antenna
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400162
Yamiko Daniel Banda, Anupam Kumar Yadav, Sandeep Kumar Singh, Tripurari Saran, Serguei V. Savilov, M.Z.A. Yahya
{"title":"Fiberglass Interwoven Substrate Laminated Penta-Band Microstrip Antenna","authors":"Yamiko Daniel Banda,&nbsp;Anupam Kumar Yadav,&nbsp;Sandeep Kumar Singh,&nbsp;Tripurari Saran,&nbsp;Serguei V. Savilov,&nbsp;M.Z.A. Yahya","doi":"10.1002/masy.202400162","DOIUrl":"https://doi.org/10.1002/masy.202400162","url":null,"abstract":"<p>This work describes the design and characterization of a compact rectangular microstrip patch antenna for pentaband applications, including antenna geometry optimization and feedline alignment. The design uses flame-retarded woven fiberglass (FR-4) substrate material with circular slits on a rectangular radiating stub for broad impedance bandwidth. Antenna-2 proposes penta-band applications in Wi-MAX (3.5 GHz, 3.4–3.69), WLAN (5.2 GHz, 5.15–5.35), 5G (3.5–6.0 GHz), C-band (4.0–8.0 GHz), and 6G (7.0–20 GHz; mid-band) current wireless communications. The suggested antenna has good impedance matching and low reflection power loss across the important frequencies, according to S-parameter |S11| measurements. This means microwave frequency applications can transmit and receive efficiently.</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":"143431222","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}
引用次数: 0
Polymers as Sensing Layers in MEMS Biosensors for Molecular Diagnosis
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400113
Arpana Niranjan, Pallavi Gupta, Manisha Rajoria, I. M. Noor
{"title":"Polymers as Sensing Layers in MEMS Biosensors for Molecular Diagnosis","authors":"Arpana Niranjan,&nbsp;Pallavi Gupta,&nbsp;Manisha Rajoria,&nbsp;I. M. Noor","doi":"10.1002/masy.202400113","DOIUrl":"https://doi.org/10.1002/masy.202400113","url":null,"abstract":"<p>Polymers have been used significantly in MEMS (micro-electro-mechanical systems) biosensors as substrates, sensor materials, packaging, surface encapsulation, and transducer elements. The sensing layer is a component that interacts with the target molecule. The choice of material for the sensing layer affects the sensitivity of the sensor. This research explores four commonly used polymers (polydimethylsiloxane (PDMS), nylon, poly methyl methacrylate) (PMMA), and polyethylene) as a sensor layer for bio-recognition in MEMS biosensors. The study is simulation-based. Two models, namely, a simple micro-cantilever beam and piezoelectric cantilever MEMS, are regarded in the paper. Different properties, such as stress and displacements, are studied, as well as voltage, in the case of the piezoelectric model. The comparative study contributes to understanding how different polymer materials and readout methods impact the choice of material for the sensing layer for MEMS biosensors. Results show that for applications using displacement measurement for further analysis, a simple cantilever is more suitable. The PED model has low displacement sensitivity but is an excellent choice when electric output is required. PDMA shows the best results among the materials used for comparative analysis. The final choice of materials depends on the specific application; PDMA provides flexibility and ease of fabrication, whereas PMMA is more suitable for applications requiring rigidity and chemical resistance. PDMA has 1.63 times more voltage sensitivity than PMMA. Furthermore benefits and challenges of using polymer as a sensing layer are also discussed.</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":"143431289","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}
引用次数: 0
Biochemical and Molecular Characterization of Soil-Isolated Exoelectrogens and Evaluation of Their Electrochemical Properties via Single-Chambered Mediator-Free Microbial Fuel Cell
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400133
Parvaiz Ahmad Dar, Wan Zaireen Nisa Yahya, Azmat Ali Khan, Amit Kumar, Sharad Agrawal
{"title":"Biochemical and Molecular Characterization of Soil-Isolated Exoelectrogens and Evaluation of Their Electrochemical Properties via Single-Chambered Mediator-Free Microbial Fuel Cell","authors":"Parvaiz Ahmad Dar,&nbsp;Wan Zaireen Nisa Yahya,&nbsp;Azmat Ali Khan,&nbsp;Amit Kumar,&nbsp;Sharad Agrawal","doi":"10.1002/masy.202400133","DOIUrl":"https://doi.org/10.1002/masy.202400133","url":null,"abstract":"<p>Microbial fuel cells are utilized in electromicrobiology for the purpose of cleaning wastewater and producing electricity. Anaerobically, MFCs use microbial catalysis in the anodic compartment to transform the chemical energy stored in organic and inorganic molecular bonds. Using the soil sample, four exoelectrogens are isolated. Each of the four single-chambered mediator-less microbial fuel cell design are used to inject the extracted soil exoelectrogens. A nutritional medium is used to operate the reactors in batches of 15 days. The exoelectrogen ISO4 (<i>Bacillus amyloliquefaciens</i> strain NSB4), followed by ISO3 (cereus strain BXC6), ISO2 (<i>Bacillus</i> sp. (in: Bacteria) strain 4N), and ISO1 (<i>Staphylococcus argenteus</i> strain D7) achieve the best growth rates. On average, data on energy generation shows that MFCs with ISO4 have the maximum voltage and power density at 1024 mV external resistance (1 kΩ), followed by ISO3 at 609 mV, ISO2 at 560  mV, and ISO1 at 487 mV. Power densities of isolates are recorded as: 41.281 mW/m<sup>2</sup>, 29.241, 12.723, and 3.552 mW/m<sup>2</sup> for ISO4, ISO3, ISO2, and ISO1, respectively. The research finds that the energy output of MFC reactors is affected by the exoelectrogen substrates. Cyclic voltammetry (CV) experiment demonstrates that exoelectrogens directly transport electrons to the anode surface via cytochromes and other substances associated with the cell membrane. It has been previously difficult to produce power from pure isolates, but new research reveals that this is no longer an issue. Pure cultures of exolectrogens use to generate current also show a broad substrate utilization spectrum, in line with previous studies.</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":"143431304","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}
引用次数: 0
Waste Material Management with a Coxian Arrival and First Exceptional Service Queueing Model
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400197
Rachna Khurana, Manju Sharma, Vinay Kumar Jadon, Amit Sharma, Khursheed Alam
{"title":"Waste Material Management with a Coxian Arrival and First Exceptional Service Queueing Model","authors":"Rachna Khurana,&nbsp;Manju Sharma,&nbsp;Vinay Kumar Jadon,&nbsp;Amit Sharma,&nbsp;Khursheed Alam","doi":"10.1002/masy.202400197","DOIUrl":"https://doi.org/10.1002/masy.202400197","url":null,"abstract":"<p>This paper studies a variant of the C<sub>2</sub>/G/1 queue, where the service time distribution for a customer depends on whether the server is busy or idle when the customer arrives. This class of models is relevant in scenarios where the server may require varying amounts of time when it resumes service after being idle. Customer arrives in the system according to 2-stage Coxian distribution. By using supplementary variable techniques and recursive method that utilizes generating function, we derived steady-state probabilities to analyze the distribution of queue length and sojourn time. Queueing models of this type have wide application in streamline operations like waste material management, and ensure effectiveness.</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":"143431517","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}
引用次数: 0
Eco-Friendly Synthesis and Characterization of Iron Oxide (α-Fe2O3) Nanoparticles Using Macromolecules from Pomegranate Peel Extract
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400231
Rabah N. Hasoon, Ahmed Najem Abd, Abdulwahhab H. Majeed
{"title":"Eco-Friendly Synthesis and Characterization of Iron Oxide (α-Fe2O3) Nanoparticles Using Macromolecules from Pomegranate Peel Extract","authors":"Rabah N. Hasoon,&nbsp;Ahmed Najem Abd,&nbsp;Abdulwahhab H. Majeed","doi":"10.1002/masy.202400231","DOIUrl":"https://doi.org/10.1002/masy.202400231","url":null,"abstract":"<p>Due to environmentally benign process and a large research area, the green synthesis of metal oxide nanoparticles using plant extracts is a possible replacement for conventional physicochemical synthesis methods. In the present investigation, ferric nitrate (Fe(NO<sub>3)3</sub>.9H<sub>2</sub>O) and pomegranate peel extract are used to prepare iron oxide nanoparticles (α-Fe<sub>2</sub>O<sub>3</sub> NPs). These prepared particles are then examined using FTIR spectroscopy, energy-dispersive X-ray (EDX), and scanning electron microscopy (SEM). The results of FTIR reveal distinct peaks in the (450–550 cm<sup>−1</sup>) range, which are ascribed to the vibration of Fe–O in Fe<sub>2</sub>O<sub>3</sub>. Prior to this, SEM data demonstrated the shape of iron oxide particles, which has dimensions between 22 and 43 nm and are round and irregular in size.</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":"143431527","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}
引用次数: 0
Extraction Design of Flavonoids From Rosemary Plants for the Treatment of Acute Myocardial Infarction in Rats
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400225
Suzan Jumaa Harem, Asmaa Hashim Shaker
{"title":"Extraction Design of Flavonoids From Rosemary Plants for the Treatment of Acute Myocardial Infarction in Rats","authors":"Suzan Jumaa Harem,&nbsp;Asmaa Hashim Shaker","doi":"10.1002/masy.202400225","DOIUrl":"https://doi.org/10.1002/masy.202400225","url":null,"abstract":"<p>This research entails a comprehensive assessment involving the measurement of prolyl glycosidase levels and calcium concentrations within a cohort of rats, which are subjected to induce myocardial infarction through subperitoneal injection of physiological solutions following an 18-h fasting period. The experimental rats are meticulously partitioned into five distinct groups to facilitate comparative analysis. The initial group serves as the healthy control, providing a baseline reference, while the fifth group is administered the pharmaceutical agent simvastatin. The intermediary groups are administered varying concentrations of flavonoids, specifically extracted from the rosemary plant utilizing advanced high-performance liquid chromatography (HPLC) technology. This study's design is carefully constructed to discern the impact of these interventions on prolyl glycosidase levels and calcium concentrations in the context of induced myocardial infarction. The administered substances, particularly simvastatin and the varied concentrations of rosemary-derived flavonoids, are strategically chosen to elucidate their potential influences on the measured biochemical parameters. The utilization of advanced HPLC technology for the extraction of flavonoids from rosemary ensures precise and controlled administration of these compounds to the experimental groups. This research design allows for a nuanced exploration of the effects of simvastatin and rosemary-derived flavonoids on prolyl glycosidase levels and calcium concentrations in the context of induced myocardial infarction. The delineation of the impact of these interventions on the measured biochemical markers contributes to a deeper understanding of potential therapeutic implications, paving the way for further investigations and potentially innovative interventions in cardiovascular health.</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":"143431593","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}
引用次数: 0
Synthesis, Characterization, and Computational Studies of Organoselenium Compounds for Bioactivity Assessment Against Pancreatic Ductal Adenocarcinoma
Macromolecular Symposia Pub Date : 2025-02-17 DOI: 10.1002/masy.202400177
Bhaskar Banerjee, Bobby Solanki, Rajaneesh Kumar Verma, Nidhi Jain, Tarun Yadav, Mustafa A. Alheetyc, M. Z. A. Yahya, Munendra Singh, Vinay Kumar Verma, Ram Chandra Singh
{"title":"Synthesis, Characterization, and Computational Studies of Organoselenium Compounds for Bioactivity Assessment Against Pancreatic Ductal Adenocarcinoma","authors":"Bhaskar Banerjee,&nbsp;Bobby Solanki,&nbsp;Rajaneesh Kumar Verma,&nbsp;Nidhi Jain,&nbsp;Tarun Yadav,&nbsp;Mustafa A. Alheetyc,&nbsp;M. Z. A. Yahya,&nbsp;Munendra Singh,&nbsp;Vinay Kumar Verma,&nbsp;Ram Chandra Singh","doi":"10.1002/masy.202400177","DOIUrl":"https://doi.org/10.1002/masy.202400177","url":null,"abstract":"<p>In the present research article, two small organoselenium molecules, 2-(phenylselanyl)ethanamine, L<sub>1</sub>H and 2-(phenylselanyl)propanamine, L<sub>2</sub>H, have been synthesized via high yield synthetic route and characterized using elemental, UV–vis, FTIR, (<sup>1</sup>H and <sup>77</sup>Se) NMR, and mass spectrometry along with computational investigation, confirming selenium integration. Density functional theory (DFT) study elucidates the optoelectronic properties and structures of L<sub>1</sub>H and L<sub>2</sub>H, providing insights into stability and reactivity of selenium bearing small organic compounds. In addition to this, molecular docking studies and pharmacokinetic profile highlights potential binding affinity with target proteins and also suggests their promising bioactivity. The interaction between the regulatory proteins involved in pancreatic ductal adenocarcinoma (PDAC) and the synthesized small molecule L<sub>1</sub>H and L<sub>2</sub>H shows the involvement of amine group and selenium atom for inhibiting the proteins to potentially stop the growth of cancer cells. The comprehensive investigation lays groundwork for further exploration of these compounds in small molecule drug development and medicinal chemistry.</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":"143431598","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}
引用次数: 0
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