Chemical Physics Impact最新文献

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Synthesis and development of novel sensitizer from Spirulina pigment with silver doped ZnO nano particles for bio-sensitized solar cells 利用螺旋藻色素与掺银氧化锌纳米颗粒合成和开发用于生物敏化太阳能电池的新型敏化剂
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-14 DOI: 10.1016/j.chphi.2024.100735
S. Ranjitha , S. Bhuvaneswari , C. Sudhakar , V. Aroulmoji
{"title":"Synthesis and development of novel sensitizer from Spirulina pigment with silver doped ZnO nano particles for bio-sensitized solar cells","authors":"S. Ranjitha ,&nbsp;S. Bhuvaneswari ,&nbsp;C. Sudhakar ,&nbsp;V. Aroulmoji","doi":"10.1016/j.chphi.2024.100735","DOIUrl":"10.1016/j.chphi.2024.100735","url":null,"abstract":"<div><div>Phycocyanin from Spirulina (blue-green algae) is used as photosensitizer to fabricate biosensitized solar cells (BSSC). Pigments are extracted in different solvents such as water, ethanol and acetone. Pure and silver-doped ZnO nanoparticles were prepared by simple microwave technology, and BSSCs were prepared by spin coating method. The structure, morphology, optical properties and electrochemistry of the prepared materials were examined by powder X-ray diffraction, field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), ultraviolet-visible light spectroscopy and electrochemical impedance spectroscopy. The main observation of this research is the decrease of the energy band gap value due to doping of “Ag” ions, which will delay the recombination rate and increase the photovoltaic conversion efficiency by 2.87 % compared to pure ZnO nanoparticles (0.74 %). The photocurrent density-photo voltage (J-V) characteristics of fabricated BSSC using Pycocyanine pigments under various solvent-adsorbed conditions on nanocrystalline pure ZnO and Ag-doped ZnO film electrodes were carried out. The pigments in association with the water solution show the short-circuit photocurrent density J<sub>sc</sub> of around 9.80 mA/cm<sup>2</sup> and the open-circuit photovoltage V<sub>oc</sub> of 0.84 V, under an illumination intensity of 40 mW/cm<sup>2</sup> respectively. The results of the present study reveals that “Ag” doped ZnO nanoparticles may be a promising candidate for the future BSSC applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142419288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design and fabrication of MnCo2O4@MnCo2S4 Core@Shell nanostructured arrays decorated over the rGO sheets for high-performance asymmetric supercapacitor 设计和制备装饰在 rGO 片材上的 MnCo2O4@MnCo2S4 核@壳纳米结构阵列,用于高性能不对称超级电容器
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-11 DOI: 10.1016/j.chphi.2024.100734
N. Vijayakumar , A. Thirugnanasundar
{"title":"Design and fabrication of MnCo2O4@MnCo2S4 Core@Shell nanostructured arrays decorated over the rGO sheets for high-performance asymmetric supercapacitor","authors":"N. Vijayakumar ,&nbsp;A. Thirugnanasundar","doi":"10.1016/j.chphi.2024.100734","DOIUrl":"10.1016/j.chphi.2024.100734","url":null,"abstract":"<div><p>In order to create reliable and effective energy storage systems, it is crucial to choose electrode materials that exhibit high stability and energy density. In this work, MnCo<sub>2</sub>S<sub>4</sub>@MnCo<sub>2</sub>O<sub>4</sub> core@shell nanoneedle-like nanostructures (MCS@MCO/rGO) are synthesised over a rGO sheet using an innovative and easy hydrothermal technique. Electrolyte transport and sulphur incorporation during charge-discharge reactions are both made easier by the core@shell nanostructured arrays' large active surface area. With an appropriate pore size distribution centred at 13.4 nm and a high surface area of 125.4 m<sup>2</sup>g<sup>-1</sup>, the ternary electrodes composed of MCS@MCO and rGO have a rich mesoporous structure. A specific capacitance of 1346 Fg<sup>-1</sup> at 1 Ag<sup>-1</sup> demonstrates the exceptional performance of the MCS@MCO/rGO ternary electrode. The MCS@MCO/rGO ternary electrodes show a remarkable cyclic stability of 88.9 % capacity retention over 10,000 cycles, according to the cycling stability studies. With an impressive power density of 1010 Wkg<sup>-1</sup> and remarkable cycling stability (95.5 % retention of the original capacitance after 10,000 cycles), the manufactured MCS@MCO/rGO//AC ACS displays an impressive energy density of 57.5 Whkg<sup>-1</sup>. The mesoporous structure is excellent for increasing the characteristics of supercapacitor electrodes, as these astounding results can demonstrate.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002780/pdfft?md5=1b864eb2930219ca6ac89be4f048ec4a&pid=1-s2.0-S2667022424002780-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of Trp-AuNPs-rGO based electrochemical active biosensing interface for dopamine detection 开发基于 Trp-AuNPs-rGO 的电化学活性生物传感界面以检测多巴胺
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-11 DOI: 10.1016/j.chphi.2024.100726
Jyoti Varma , Karan Singh Maan , Sagra Mohiuddin , Fulden-Ulucan Karnak , Jagriti Narang , Sudheesh K. Shukla , Ajit Sharma , Meenakshi Choudhary
{"title":"Development of Trp-AuNPs-rGO based electrochemical active biosensing interface for dopamine detection","authors":"Jyoti Varma ,&nbsp;Karan Singh Maan ,&nbsp;Sagra Mohiuddin ,&nbsp;Fulden-Ulucan Karnak ,&nbsp;Jagriti Narang ,&nbsp;Sudheesh K. Shukla ,&nbsp;Ajit Sharma ,&nbsp;Meenakshi Choudhary","doi":"10.1016/j.chphi.2024.100726","DOIUrl":"10.1016/j.chphi.2024.100726","url":null,"abstract":"<div><div>Neurotransmitters are essential for learning, mental alertness, blood flow, and emotions. An imbalance of neurotransmitters in the human system causes neurological disorders. An imbalance of dopamine, a neurotransmitter, can cause severe diseases such as Parkinson's disease, restless legs syndrome, depression, schizophrenia, and attention deficit hyperactivity disorder (ADHD). Dopamine detection is essential but requires high sensitivity, temporal resolution, and favorable electrochemical techniques for the sensing mechanism. The ultrasensitive and selective real-time diagnosis of dopamine depends on the fabrication of a brain-on-a-chip model. Prior to fabrication of this device, it is very essential to develop a novel metal nanomaterial that exhibits biocompatibility and fast detection and is capable of improving the quality of the device. In this respect, we prepared amino acid-reduced gold nanoparticles that were supported by reduced graphene oxide. The prepared composite has been characterized by various techniques for internal and external morphology. The electrochemical behavior was examined on a glassy carbon electrode via various electrochemical techniques by a potentiostat instrument towards the diagnosis of dopamine at a micromolar level in the presence of its interference. Finally, as expected, we found 43.59 μAμM−1cm-2 sensitivity toward DA in the linear range of 1-11 μM. Trp-AuNPS-rGO shows promising results toward the diagnosis of dopamine in the presence of its interference and proves that this nanomaterial will be very promising toward the fabrication of a brain-on chip.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142319287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, characterization and application of hydrogel for cancer treatment 用于癌症治疗的水凝胶的合成、表征和应用
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-11 DOI: 10.1016/j.chphi.2024.100737
Nidhi Jain , Mona Kejariwal , Faisal Islam Chowdhury , I.M. Noor , Serguei Savilov , M.Z.A. Yahya , Markus Diantoro , Pramod K Singh
{"title":"Synthesis, characterization and application of hydrogel for cancer treatment","authors":"Nidhi Jain ,&nbsp;Mona Kejariwal ,&nbsp;Faisal Islam Chowdhury ,&nbsp;I.M. Noor ,&nbsp;Serguei Savilov ,&nbsp;M.Z.A. Yahya ,&nbsp;Markus Diantoro ,&nbsp;Pramod K Singh","doi":"10.1016/j.chphi.2024.100737","DOIUrl":"10.1016/j.chphi.2024.100737","url":null,"abstract":"<div><p>The purpose of this review paper is to provide a comprehensive overview of hydrogels in cancer therapy. This aims to explore the definition of hydrogels and their unique characteristics of hydrogel, role of hydrogel in cancer therapy, cancer therapy treatment approaches, challenges in cancer therapy, that make them suitable for use in cancer treatment. It seeks to emphasize on the integration of innovative approaches and new technologies in addressing the challenges of conventional cancer therapies and to highlight their potential to revolutionize cancer treatment approaches. The review will delve into different types of hydrogels, methods of preparation of hydrogel including natural and synthetic hydrogels, providing insights into their characteristics, synthesis methods, and tenability. Furthermore, it will examine the diverse applications of hydrogels in cancer therapy, such as drug delivery systems, tissue engineering, localized therapy, and combination therapies.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002810/pdfft?md5=f480adac15bd730d7e33585b8d9c535f&pid=1-s2.0-S2667022424002810-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142232015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The influence of nano structuring and combined doping (Ag and Sb) on the thermoelectric properties of PbTe thin films 纳米结构和联合掺杂(银和锑)对碲化镉薄膜热电性能的影响
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-11 DOI: 10.1016/j.chphi.2024.100736
L. Kungumadevi , G. Hema Chandra
{"title":"The influence of nano structuring and combined doping (Ag and Sb) on the thermoelectric properties of PbTe thin films","authors":"L. Kungumadevi ,&nbsp;G. Hema Chandra","doi":"10.1016/j.chphi.2024.100736","DOIUrl":"10.1016/j.chphi.2024.100736","url":null,"abstract":"<div><p>Nanocrystalline PbTe and Ag &amp; Sb co-doped PbTe thin films are prepared using an integrated physical-chemical approach by evaporating chemically synthesized PbTe and Ag &amp; Sb co-doped PbTe nanopowders on glass substrates. The X-Ray Diffractogram (XRD) reveals that all samples are NaCl-type structure and the structural parameters such as crystallite size D, dislocation density <span><math><mi>δ</mi></math></span>, strain <span><math><mrow><mi>ε</mi></mrow></math></span>, lattice constant, volume of the cell and number of crystallites are calculated and reported the results. The crystallite size of the films is around 24 nm. The absolute value of the Seebeck coefficient of nanocrystalline PbTe and Ag and Sb co-doped PbTe thin films is 1.069 mV/K and 0.569 mV/K respectively and the positive values indicate their <em>p</em>-type conductivity of the film. The values of Seebeck coefficient and power factor are higher than that of bulk which implies an enhancement in the thermoelectric properties with a reduction in the particle size and co doping.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002809/pdfft?md5=01e534a191797c2a659d6bf14b23e105&pid=1-s2.0-S2667022424002809-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural analysis and spectroscopic characterization of melanin-alginate films 黑色素-精氨酸薄膜的结构分析和光谱表征
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-10 DOI: 10.1016/j.chphi.2024.100733
Lidia Elizabeth Verduzco-Grajeda , Nayeli Verali Solís-Delgadillo , Andrea Guadalupe Romo Castañeda , Monica Ortíz-Martínez , Mariana Alfaro-Gómez
{"title":"Structural analysis and spectroscopic characterization of melanin-alginate films","authors":"Lidia Elizabeth Verduzco-Grajeda ,&nbsp;Nayeli Verali Solís-Delgadillo ,&nbsp;Andrea Guadalupe Romo Castañeda ,&nbsp;Monica Ortíz-Martínez ,&nbsp;Mariana Alfaro-Gómez","doi":"10.1016/j.chphi.2024.100733","DOIUrl":"10.1016/j.chphi.2024.100733","url":null,"abstract":"<div><p>In this work, we present the spectroscopic and structural analysis of synthetic melanin incorporated within alginate films. We propose a synthesis methodology for alginate films with different concentrations of melanin. For this, Ca2<span><math><msup><mrow></mrow><mo>+</mo></msup></math></span>-crosslinked alginate films plasticized with glycerol (30% w/w) are used as a matrix to support melanin in a non-disolved state. The structural and morphological characteristics of the alginate-melanin films are evaluated. Furthermore, we analyze the structural and morphological characteristics of the obtained films and analyze their spectroscopic characteristics from the ultraviolet to the terahertz bands of the electromagnetic spectrum. This work demonstrates that alginate films are a viable option as a matrix for the analysis and characterization of non-dissolved melanin. Moreover, we determine the dependence of the analyzed physical and optical properties of the alginate-melanin films with respect to the melanin concentration and discuss the relevance of the observed changes. The analysis suggests the potential use of melanin-alginate films for further examination of non-dissolved melanin.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002779/pdfft?md5=02b2a32d1be1c12e1899abea9618ab89&pid=1-s2.0-S2667022424002779-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142169344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced polyhydroxyalkanoate production from Mesobacillus aurentius: Statistical optimization, characterization and industrial application 提高金黄色中杆菌(Mesobacillus aurentius)生产聚羟基烷酸的能力:统计优化、表征和工业应用
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-10 DOI: 10.1016/j.chphi.2024.100732
Megha Mahajan , M. Kamaraj , Shanmugaselvam Gokilalakshmi , T.G. Nithya , Bhartendu Singla
{"title":"Enhanced polyhydroxyalkanoate production from Mesobacillus aurentius: Statistical optimization, characterization and industrial application","authors":"Megha Mahajan ,&nbsp;M. Kamaraj ,&nbsp;Shanmugaselvam Gokilalakshmi ,&nbsp;T.G. Nithya ,&nbsp;Bhartendu Singla","doi":"10.1016/j.chphi.2024.100732","DOIUrl":"10.1016/j.chphi.2024.100732","url":null,"abstract":"<div><p>Synthetic plastics pose a major environmental threat and it is necessary to produce an alternative biopolymer. In the current study, the production of polyhydroxybutyrate (PHB) by <em>Mesobacillus aurentius</em> was enhanced using Response surface methodology (Box–Behnken design). This study explores the potential of aquabiofloc systems as a source of polyhydroxyalkanoates (PHB)-producing bacteria. The optimized medium conditions, as determined by Response Surface Methodology (RSM), included 18.68 g of sucrose, 4.0 g of yeast, an incubation period of 69.57 h, and a pH of 7.1. The ANOVA results revealed that the model developed for predicting PHA yield was highly significant (<em>p</em> &lt; 0.05). The predicted PHA yield was 63.12%, while the experimental yield was 65.35%. The maximum production of PHA was obtained with sucrose and yeast as carbon and nitrogen sources. The extracted polymer was characterized using UV, FTIR, <sup>1</sup>H NMR, and SEM-EDAX analysis confirming the polymer to be PHB. The thermal stability of the produced PHA showed degradation temperatures ranging from 310 °C. The mechanical properties of the extracted PHA were also assessed, demonstrating tensile strength and viscosity of 22.4 MPa and 1.23 MPa. respectively. The antimicrobial activity of the produced PHA was evaluated, demonstrating significant inhibitory effects against both Gram-positive and Gram-negative bacterial strains as well as fungal strains. The Cytotoxicity assessment in HepG2 cells indicated that PHB is less toxic in nature. The findings highlight the promising role of marine bacteria, <em>Mesobacillus aurentius</em>, in the development of environmentally friendly biopolymers. This bacterium represents a novel candidate for PHB production, offering a potential alternative to petroleum-based plastics.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002767/pdfft?md5=0ff3292843fc6b47540d3ca7a04068cf&pid=1-s2.0-S2667022424002767-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142171591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring the anticancer properties of indole pyrimidine derivatives: Synthesis, structural insights, docking analysis, and in vitro evaluation 探索吲哚嘧啶衍生物的抗癌特性:合成、结构洞察、对接分析和体外评估
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-10 DOI: 10.1016/j.chphi.2024.100730
HM Pallavi , VH Kameshwar , Fares Hezam Al-Ostoot , Shaukath Ara Khanum
{"title":"Exploring the anticancer properties of indole pyrimidine derivatives: Synthesis, structural insights, docking analysis, and in vitro evaluation","authors":"HM Pallavi ,&nbsp;VH Kameshwar ,&nbsp;Fares Hezam Al-Ostoot ,&nbsp;Shaukath Ara Khanum","doi":"10.1016/j.chphi.2024.100730","DOIUrl":"10.1016/j.chphi.2024.100730","url":null,"abstract":"<div><p>The nitrogen containing heterocyclic and chalcones moiety widely recognized as favorable combination of diagnostic and therapeutic facilities in medicinal chemistry. In particular, indole analogs play a very important medicinal role in pharmacology activities, hence, drugs like pindolol, indomethacin, oxypertine, ellipticine, arbidol and ate viridine are well known in market. In this view, the title compounds <strong>4(a-j)</strong> were synthesized in good yield. The purified compounds were explained by spectroscopic procedures (FT-IR, 1H NMR, 13CNMR, and LC-MS), and lastly, all synthetic compounds have <em>in-vitro</em> efficacy assessed against the HeLa human cervical cancer and MCF-7 human breast cancer cell lines, and their efficacy was compared to that of the well-known anticancer drug methotrexate (Methotrexate). Compounds <strong>4a, 4b, 4c</strong>, and <strong>4e</strong> from the series (<strong>4a-j</strong>) demonstrated the most notable inhibitory activity. The cytotoxicity evaluation of these newly synthesized compounds revealed that <strong>4a, 4b, 4c</strong>, and <strong>4e</strong> were the most toxic to HeLa cells, with IC50 values for growth inhibition of 20.41 ± 3.14, 23.54 ± 3.27, 24.77 ± 2.14, and 26.10 ± 1.58, respectively. These compounds exhibited an even stronger growth-inhibitory effect on MCF-7 cells, with IC<sub>50</sub> values of 18.84 ± 2.69, 19.45 ± 3.14, 22.83 ± 2.68, and 21.80 ± 1.68, respectively. In comparison, methotrexate (Methotrexate) showed IC50 values of 28.29 ± 1.0 for HeLa cells and 45.08 ± 2.61 for MCF-7 cells. Additionally, compounds <strong>4a, 4b, 4c</strong>, and <strong>4e</strong> played a crucial role in interacting with the catalytic domain of PDE3, demonstrating IC<sub>50</sub> values for PDE3A inhibition of 8.05 ± 1.27, 7.55 ± 2.14, 15.09 ± 1.54, and 17.12 ± 3.14, respectively. These results are compared with Cilostazol, a known PDE inhibitor, which exhibited an IC50 of 0.00368 ± 3.14. <em>In-silico</em> studies revealed that compounds (<strong>4a, 4b,</strong> and <strong>4c</strong>) are comparatively very efficient in binding with PDE3A which was further validated with MMGBSA and MDSs.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002743/pdfft?md5=b9f6f78b15f2fdb4ebcaaaf03a29c7ab&pid=1-s2.0-S2667022424002743-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pharmacophore-based approach for the identification of potent inhibitors against LpxC Enzyme from Salmonella Typhi 基于药理的方法鉴定伤寒沙门氏菌 LpxC 酶的强效抑制剂
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-10 DOI: 10.1016/j.chphi.2024.100729
Mohammad Z. Ahmed , Ali S. Alqahtani , Prakash kumar Shukla , Sanjit Kumar , Sudhir Kumar Pal
{"title":"Pharmacophore-based approach for the identification of potent inhibitors against LpxC Enzyme from Salmonella Typhi","authors":"Mohammad Z. Ahmed ,&nbsp;Ali S. Alqahtani ,&nbsp;Prakash kumar Shukla ,&nbsp;Sanjit Kumar ,&nbsp;Sudhir Kumar Pal","doi":"10.1016/j.chphi.2024.100729","DOIUrl":"10.1016/j.chphi.2024.100729","url":null,"abstract":"<div><p>Antimicrobial resistance (AMR) is currently a global health concern, mostly caused by microorganisms like bacteria, viruses, parasites, and fungi that acquire resistance to antimicrobial drugs. <em>Salmonella</em> is responsible for a variety of diseases but mainly cause typhoid. The primary concern is the rise in resistance in both non-typhoid and typhoid strains of this species. To address this issue, it is necessary to identify novel targets and strategies for the development of new antibacterial drugs. Lipid A, a strong bacterial endotoxin that modulates the immune system in human, is a key component of the virulence factor generated during the <em>salmonella</em> infection. Lipid A is synthesized in case of Gram-negative bacteria by cascade of nine enzyme pathway. The second step in case of Lipid A biosynthesis, catalysed by LpxC, a Zn<sup>+</sup> dependent metallo-amidase considered as rate limiting step. In this manuscript we have used protein-ligand interaction fingerprint (PLIF)–derived pharmacophore models to screen small molecules (natural products library from Zinc database, Asinex database, Thiophene analogues) against <em>Salmonella typhi</em> LpxC (<em>St</em>LpxC). Further top hit molecules were subjected to MD-simulation and ADMET studies. We identified three optimal compounds, s1_dl_mseq2, s1_ll_mseq2, and s2_ll_mseq8, that exhibit strong binding affinity towards the LpxC active site.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667022424002731/pdfft?md5=38d610f384d08307ef54819ef2fc5d74&pid=1-s2.0-S2667022424002731-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142232014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silver doped Polypyrrole nanocomposite-based gas sensor for enhanced ammonia gas sensing performance at room temperature 基于掺银聚吡咯纳米复合材料的气体传感器可在室温下提高氨气传感性能
IF 3.8
Chemical Physics Impact Pub Date : 2024-09-07 DOI: 10.1016/j.chphi.2024.100722
Arunima Verma , Tanuj Kumar , Rahul Singhal
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