Md. Khalid Hossain Shishir , Md. Mynul Islam , Md. Tarikul Islam , Md. Ashikur Rahaman , Md. Hasnain Mustak , Md. Golam Mostafa , Md. Ashraful Alam
{"title":"单斜蔗糖纳米晶粉末x射线衍射图谱的晶体学基准","authors":"Md. Khalid Hossain Shishir , Md. Mynul Islam , Md. Tarikul Islam , Md. Ashikur Rahaman , Md. Hasnain Mustak , Md. Golam Mostafa , Md. Ashraful Alam","doi":"10.1016/j.rsurfi.2025.100595","DOIUrl":null,"url":null,"abstract":"<div><div>The structural and geometrical properties of sucrose were examined using powder X-ray diffraction (XRD). XRD analysis provided insights into the atomic orientation and enabled precise refinement of lattice parameters and crystal symmetry. Rietveld refinement confirmed a 100 % crystalline sucrose phase, as identified through Whole Powder Pattern Fitting. The calculated lattice parameters were <em>a</em>= 10.844 Å, <em>b</em>= 8.749 Å, <em>c</em>= 7.837 Å, with angles α=γ= 90.0° and β= 102.82°, indicating a monoclinic crystal system. The lattice volume was 724.961 Å<sup>3</sup>, and lattice strain was 0.138 %. The most intense diffraction peak was observed at 2θ= 20.79°, corresponding to the (21-1) plane. Crystallite size, calculated via the Scherrer equation, was 97.23 nm, confirming the nanocrystalline nature of sucrose. Additional analysis revealed microstrain of 0.00028, dislocation density of 1.058 × 10<sup>−4</sup> nm<sup>−2</sup>, specific surface area of 38.86 m<sup>2</sup>/g, calculated density of 1.588 g/cm<sup>3</sup> and crystallinity degree of 72.99 %. Scanning Electron Microscopy showed sucrose crystals with sharp, angular edges and smooth facets, typical features of crystalline materials. Transmission Electron Microscopy revealed spherical particles with uniform contrast and clear boundaries, averaging 188.58 nm in size. The melting point of sucrose was recorded at approximately 181 °C. This study provides a detailed characterization of sucrose nanocrystals, emphasizing their crystallographic properties, lattice structure and nanoscale morphology using the XRD technique.</div></div>","PeriodicalId":21085,"journal":{"name":"Results in Surfaces and Interfaces","volume":"20 ","pages":"Article 100595"},"PeriodicalIF":0.0000,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystallographic benchmarking of powder X-ray line diffraction pattern profiling of monoclinic sucrose nanocrystal\",\"authors\":\"Md. Khalid Hossain Shishir , Md. Mynul Islam , Md. Tarikul Islam , Md. Ashikur Rahaman , Md. Hasnain Mustak , Md. Golam Mostafa , Md. Ashraful Alam\",\"doi\":\"10.1016/j.rsurfi.2025.100595\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The structural and geometrical properties of sucrose were examined using powder X-ray diffraction (XRD). XRD analysis provided insights into the atomic orientation and enabled precise refinement of lattice parameters and crystal symmetry. Rietveld refinement confirmed a 100 % crystalline sucrose phase, as identified through Whole Powder Pattern Fitting. The calculated lattice parameters were <em>a</em>= 10.844 Å, <em>b</em>= 8.749 Å, <em>c</em>= 7.837 Å, with angles α=γ= 90.0° and β= 102.82°, indicating a monoclinic crystal system. The lattice volume was 724.961 Å<sup>3</sup>, and lattice strain was 0.138 %. The most intense diffraction peak was observed at 2θ= 20.79°, corresponding to the (21-1) plane. Crystallite size, calculated via the Scherrer equation, was 97.23 nm, confirming the nanocrystalline nature of sucrose. Additional analysis revealed microstrain of 0.00028, dislocation density of 1.058 × 10<sup>−4</sup> nm<sup>−2</sup>, specific surface area of 38.86 m<sup>2</sup>/g, calculated density of 1.588 g/cm<sup>3</sup> and crystallinity degree of 72.99 %. Scanning Electron Microscopy showed sucrose crystals with sharp, angular edges and smooth facets, typical features of crystalline materials. Transmission Electron Microscopy revealed spherical particles with uniform contrast and clear boundaries, averaging 188.58 nm in size. The melting point of sucrose was recorded at approximately 181 °C. This study provides a detailed characterization of sucrose nanocrystals, emphasizing their crystallographic properties, lattice structure and nanoscale morphology using the XRD technique.</div></div>\",\"PeriodicalId\":21085,\"journal\":{\"name\":\"Results in Surfaces and Interfaces\",\"volume\":\"20 \",\"pages\":\"Article 100595\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-07-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Results in Surfaces and Interfaces\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2666845925001825\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Results in Surfaces and Interfaces","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2666845925001825","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Crystallographic benchmarking of powder X-ray line diffraction pattern profiling of monoclinic sucrose nanocrystal
The structural and geometrical properties of sucrose were examined using powder X-ray diffraction (XRD). XRD analysis provided insights into the atomic orientation and enabled precise refinement of lattice parameters and crystal symmetry. Rietveld refinement confirmed a 100 % crystalline sucrose phase, as identified through Whole Powder Pattern Fitting. The calculated lattice parameters were a= 10.844 Å, b= 8.749 Å, c= 7.837 Å, with angles α=γ= 90.0° and β= 102.82°, indicating a monoclinic crystal system. The lattice volume was 724.961 Å3, and lattice strain was 0.138 %. The most intense diffraction peak was observed at 2θ= 20.79°, corresponding to the (21-1) plane. Crystallite size, calculated via the Scherrer equation, was 97.23 nm, confirming the nanocrystalline nature of sucrose. Additional analysis revealed microstrain of 0.00028, dislocation density of 1.058 × 10−4 nm−2, specific surface area of 38.86 m2/g, calculated density of 1.588 g/cm3 and crystallinity degree of 72.99 %. Scanning Electron Microscopy showed sucrose crystals with sharp, angular edges and smooth facets, typical features of crystalline materials. Transmission Electron Microscopy revealed spherical particles with uniform contrast and clear boundaries, averaging 188.58 nm in size. The melting point of sucrose was recorded at approximately 181 °C. This study provides a detailed characterization of sucrose nanocrystals, emphasizing their crystallographic properties, lattice structure and nanoscale morphology using the XRD technique.