{"title":"用于预测 SARS-CoV-2 穗状蛋白质在传感表面上的空间和方向分布的随机顺序吸附模型","authors":"Vilius Vertelis , Julian Talbot , Vincentas Maciulis , Silvija Juciute , Ieva Plikusiene","doi":"10.1016/j.colsurfa.2024.135801","DOIUrl":null,"url":null,"abstract":"<div><div>The interaction between antibodies and viral proteins is crucial for immune response, and understanding these interactions is therefore of great importance. The sensitivity of immunosensors, where antigens are immobilized, largely depends on their orientation. However, experimental methods to determine the orientation are often time-consuming and require specialized equipment. In this paper, we present a random sequential adsorption (RSA) model for the spatial and orientational distribution of the SARS-CoV-2 spike protein immobilized on an 11-mercaptoundecanoic acid self-assembling monolayer. We compare the RSA model prediction with experimentally obtained results for the surface mass density, <span><math><mrow><mn>581</mn><mo>±</mo><mn>28</mn></mrow></math></span> fmol/<span><math><msup><mrow><mi>cm</mi></mrow><mrow><mn>2</mn></mrow></msup></math></span>, and the average number of available RBD per spike protein, 1.19. Experimental results were in good agreement for both immobilized SCoV2-S monolayer (560 fmol/cm<sup>2</sup>) and SCoV2-S/mAb (634 fmol/cm<sup>2</sup>). This validation of our simulation results allows us to draw conclusions about binding site density and the observed high sensitivity of the immunosensors. Our findings provide important insights into epitope density and immunosensor sensitivity, offering substantial utility for advancing biosensor research methodologies.</div></div>","PeriodicalId":278,"journal":{"name":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","volume":"706 ","pages":"Article 135801"},"PeriodicalIF":4.9000,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A random sequential adsorption model for the prediction of SARS-CoV-2 spike protein spatial and orientational distribution on a sensing surface\",\"authors\":\"Vilius Vertelis , Julian Talbot , Vincentas Maciulis , Silvija Juciute , Ieva Plikusiene\",\"doi\":\"10.1016/j.colsurfa.2024.135801\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The interaction between antibodies and viral proteins is crucial for immune response, and understanding these interactions is therefore of great importance. The sensitivity of immunosensors, where antigens are immobilized, largely depends on their orientation. However, experimental methods to determine the orientation are often time-consuming and require specialized equipment. In this paper, we present a random sequential adsorption (RSA) model for the spatial and orientational distribution of the SARS-CoV-2 spike protein immobilized on an 11-mercaptoundecanoic acid self-assembling monolayer. We compare the RSA model prediction with experimentally obtained results for the surface mass density, <span><math><mrow><mn>581</mn><mo>±</mo><mn>28</mn></mrow></math></span> fmol/<span><math><msup><mrow><mi>cm</mi></mrow><mrow><mn>2</mn></mrow></msup></math></span>, and the average number of available RBD per spike protein, 1.19. Experimental results were in good agreement for both immobilized SCoV2-S monolayer (560 fmol/cm<sup>2</sup>) and SCoV2-S/mAb (634 fmol/cm<sup>2</sup>). This validation of our simulation results allows us to draw conclusions about binding site density and the observed high sensitivity of the immunosensors. Our findings provide important insights into epitope density and immunosensor sensitivity, offering substantial utility for advancing biosensor research methodologies.</div></div>\",\"PeriodicalId\":278,\"journal\":{\"name\":\"Colloids and Surfaces A: Physicochemical and Engineering Aspects\",\"volume\":\"706 \",\"pages\":\"Article 135801\"},\"PeriodicalIF\":4.9000,\"publicationDate\":\"2024-11-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Colloids and Surfaces A: Physicochemical and Engineering Aspects\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0927775724026657\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Colloids and Surfaces A: Physicochemical and Engineering Aspects","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927775724026657","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
A random sequential adsorption model for the prediction of SARS-CoV-2 spike protein spatial and orientational distribution on a sensing surface
The interaction between antibodies and viral proteins is crucial for immune response, and understanding these interactions is therefore of great importance. The sensitivity of immunosensors, where antigens are immobilized, largely depends on their orientation. However, experimental methods to determine the orientation are often time-consuming and require specialized equipment. In this paper, we present a random sequential adsorption (RSA) model for the spatial and orientational distribution of the SARS-CoV-2 spike protein immobilized on an 11-mercaptoundecanoic acid self-assembling monolayer. We compare the RSA model prediction with experimentally obtained results for the surface mass density, fmol/, and the average number of available RBD per spike protein, 1.19. Experimental results were in good agreement for both immobilized SCoV2-S monolayer (560 fmol/cm2) and SCoV2-S/mAb (634 fmol/cm2). This validation of our simulation results allows us to draw conclusions about binding site density and the observed high sensitivity of the immunosensors. Our findings provide important insights into epitope density and immunosensor sensitivity, offering substantial utility for advancing biosensor research methodologies.
期刊介绍:
Colloids and Surfaces A: Physicochemical and Engineering Aspects is an international journal devoted to the science underlying applications of colloids and interfacial phenomena.
The journal aims at publishing high quality research papers featuring new materials or new insights into the role of colloid and interface science in (for example) food, energy, minerals processing, pharmaceuticals or the environment.