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72nd Annual Denver X-ray Conference Report 第72届丹佛x光年会报告
4区 材料科学
Powder Diffraction Pub Date : 2023-09-28 DOI: 10.1017/s0885715623000349
Stephanie Jennings
{"title":"72nd Annual Denver X-ray Conference Report","authors":"Stephanie Jennings","doi":"10.1017/s0885715623000349","DOIUrl":"https://doi.org/10.1017/s0885715623000349","url":null,"abstract":"An abstract is not available for this content so a preview has been provided. Please use the Get access link above for information on how to access this content.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"71 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135386797","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and crystal structure of layered molybdate NH4Co2OH(MoO4)2⋅H2O 层状钼酸盐NH4Co2OH(MoO4)2⋅H2O的合成与晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2023-09-28 DOI: 10.1017/s0885715623000350
Paweł Adamski, Aleksander Albrecht, Dariusz Moszyński
{"title":"Synthesis and crystal structure of layered molybdate NH<sub>4</sub>Co<sub>2</sub>OH(MoO<sub>4</sub>)<sub>2</sub>⋅H<sub>2</sub>O","authors":"Paweł Adamski, Aleksander Albrecht, Dariusz Moszyński","doi":"10.1017/s0885715623000350","DOIUrl":"https://doi.org/10.1017/s0885715623000350","url":null,"abstract":"A new compound NH 4 Co 2 OH(MoO 4 ) 2 ⋅H 2 O was prepared by precipitation of aqueous solutions of cobalt nitrate and ammonium heptamolybdate at pH = 7.5. The crystal structure was identified by X-ray powder diffraction (XRPD) and Rietveld refinement as a known polymorph of layered molybdates (Φ y ) with general formula AT 2 OH(MoO 4 ) 2 ⋅H 2 O ( A = NH 4 + , Na + , K + and T = Zn 2+ , Co 2+ , Cu 2+ , Ni 2+ ) and refined from a model based on that structure. The lattice parameters were refined with R- 3 space group (148) a = 6.1014(2) Å, b = 6.1014(2) Å, c = 21.826(1) Å, α = 90°, β = 90°, and γ = 120°.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"68 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135386977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Research on multi-strategy improved sparrow search optimization algorithm. 多策略改进麻雀搜索优化算法研究
IF 2.6 4区 材料科学
Powder Diffraction Pub Date : 2023-09-04 DOI: 10.3934/mbe.2023767
Teng Fei, Hongjun Wang, Lanxue Liu, Liyi Zhang, Kangle Wu, Jianing Guo
{"title":"Research on multi-strategy improved sparrow search optimization algorithm.","authors":"Teng Fei,&nbsp;Hongjun Wang,&nbsp;Lanxue Liu,&nbsp;Liyi Zhang,&nbsp;Kangle Wu,&nbsp;Jianing Guo","doi":"10.3934/mbe.2023767","DOIUrl":"10.3934/mbe.2023767","url":null,"abstract":"<p><p>To address the issues with inadequate search space, sluggish convergence and easy fall into local optimality during iteration of the sparrow search algorithm (SSA), a multi-strategy improved sparrow search algorithm (ISSA), is developed. First, the population dynamic adjustment strategy is carried out to restrict the amount of sparrow population discoverers and joiners. Second, the update strategy in the mining phase of the honeypot optimization algorithm (HBA) is combined to change the update formula of the joiner's position to enhance the global exploration ability of the algorithm. Finally, the optimal position of population discoverers is perturbed using the perturbation operator and levy flight strategy to improve the ability of the algorithm to jump out of local optimum. The experimental simulations are put up against the basic sparrow search algorithm and the other four swarm intelligence (SI) algorithms in 13 benchmark test functions, and the Wilcoxon rank sum test is used to determine whether the algorithm is significantly different from the other algorithms. The results show that the improved sparrow search algorithm has better convergence and solution accuracy, and the global optimization ability is greatly improved. When the proposed algorithm is used in pilot optimization in channel estimation, the bit error rate is greatly improved, which shows the superiority of the proposed algorithm in engineering application.</p>","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"36 1","pages":"17220-17241"},"PeriodicalIF":2.6,"publicationDate":"2023-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70218441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
PDJ volume 38 issue 3 Cover and Back matter PDJ第38卷第3期封面和封底
4区 材料科学
Powder Diffraction Pub Date : 2023-09-01 DOI: 10.1017/s0885715623000416
{"title":"PDJ volume 38 issue 3 Cover and Back matter","authors":"","doi":"10.1017/s0885715623000416","DOIUrl":"https://doi.org/10.1017/s0885715623000416","url":null,"abstract":"An abstract is not available for this content so a preview has been provided. As you have access to this content, a full PDF is available via the ‘Save PDF’ action button.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"31 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135782658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of calcium L-5-methyltetrahydrofolate trihydrate type I, C20H23N7O6Ca(H2O)3 l -5-甲基四氢叶酸三水合钙C20H23N7O6Ca(H2O)3的晶体结构
4区 材料科学
Powder Diffraction Pub Date : 2023-09-01 DOI: 10.1017/s0885715623000246
James A. Kaduk, Nilan V. Patel, Joseph T. Golab
{"title":"Crystal structure of calcium L-5-methyltetrahydrofolate trihydrate type I, C<sub>20</sub>H<sub>23</sub>N<sub>7</sub>O<sub>6</sub>Ca(H<sub>2</sub>O)<sub>3</sub>","authors":"James A. Kaduk, Nilan V. Patel, Joseph T. Golab","doi":"10.1017/s0885715623000246","DOIUrl":"https://doi.org/10.1017/s0885715623000246","url":null,"abstract":"The crystal structure of L-5-methyltetrahydrofolate calcium trihydrate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Calcium levomefolate trihydrate crystallizes in space group P 2 1 2 1 2 1 (#19) with a = 7.1706(6), b = 6.5371(5), c = 53.8357(41) Å, V = 2523.58(26) Å 3 , and Z = 4. The structure is characterized by alternating hydrophobic and hydrophilic layers along the c -axis. The Ca cations are 7-coordinate, and share edges to form chains along the b -axis. Each of the water molecules acts as a donor in two hydrogen bonds. The coordinated water molecule makes two strong intermolecular O–H⋯O hydrogen bonds to carboxyl and carbonyl groups. The two zeolitic water molecules form weaker hydrogen bonds, to carbonyl O atoms, ring N atoms, and aromatic C atoms. Several N–H⋯O/N hydrogen bonds, as well as C–H⋯O hydrogen bonds, also contribute to the lattice energy.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135782657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Powder Diffraction journal editors Miguel Delgado and Xiaolong Chen awarded the 2023 ICDD Distinguished Fellow award 粉末衍射期刊编辑Miguel Delgado和Xiaolong Chen获得了2023年ICDD杰出研究员奖
4区 材料科学
Powder Diffraction Pub Date : 2023-09-01 DOI: 10.1017/s0885715623000325
Camden Richards Hubbard
{"title":"<i>Powder Diffraction</i> journal editors Miguel Delgado and Xiaolong Chen awarded the 2023 ICDD Distinguished Fellow award","authors":"Camden Richards Hubbard","doi":"10.1017/s0885715623000325","DOIUrl":"https://doi.org/10.1017/s0885715623000325","url":null,"abstract":"","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"87 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135782663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
PDJ volume 38 issue 3 Cover and Front matter PDJ 38卷第3期封面和封面问题
4区 材料科学
Powder Diffraction Pub Date : 2023-09-01 DOI: 10.1017/s0885715623000398
{"title":"PDJ volume 38 issue 3 Cover and Front matter","authors":"","doi":"10.1017/s0885715623000398","DOIUrl":"https://doi.org/10.1017/s0885715623000398","url":null,"abstract":"An abstract is not available for this content so a preview has been provided. As you have access to this content, a full PDF is available via the ‘Save PDF’ action button.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135782659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Calendar of Short Courses and Workshops 短期课程及工作坊日程表
4区 材料科学
Powder Diffraction Pub Date : 2023-09-01 DOI: 10.1017/s0885715623000234
Gang Wang
{"title":"Calendar of Short Courses and Workshops","authors":"Gang Wang","doi":"10.1017/s0885715623000234","DOIUrl":"https://doi.org/10.1017/s0885715623000234","url":null,"abstract":"An abstract is not available for this content. As you have access to this content, full HTML content is provided on this page. A PDF of this content is also available in through the ‘Save PDF’ action button.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135782656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of danofloxacin mesylate (C19H21FN3O3)(CH3O3S) 甲磺酸丹诺沙星(C19H21FN3O3)(CH3O3S)的晶体结构
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-08-10 DOI: 10.1017/s0885715623000271
Tawnee M. Ens, J. Kaduk, A. Došen, T. Blanton
{"title":"Crystal structure of danofloxacin mesylate (C19H21FN3O3)(CH3O3S)","authors":"Tawnee M. Ens, J. Kaduk, A. Došen, T. Blanton","doi":"10.1017/s0885715623000271","DOIUrl":"https://doi.org/10.1017/s0885715623000271","url":null,"abstract":"The crystal structure of danofloxacin mesylate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional theory techniques. Danofloxacin mesylate crystallizes in space group P1 (#1) with a = 6.77474(8), b = 12.4973(4), c = 12.82826(28) Å, α = 84.8709(29), β = 87.7501(10), γ = 74.9916(4)°, V = 1044.723(11) Å3, and Z = 2. The protonation of the danofloxacin cations was established by the analysis of potential intermolecular interactions and differs from that expected from isolated-cation calculations. The crystal structure consists of alternating layers of cations and anions parallel to the ac-plane. There is parallel stacking of the oxoquinoline rings along the a-axis. The expected N–H⋯O hydrogen bonds between the cations and anions are not present. Each cation makes an N–H⋯O hydrogen bond with the other cation, resulting in zig-zag chains along the a-axis. Both cations have strong intramolecular O–H⋯O hydrogen bonds. There are several C–H⋯O hydrogen bonds between the danofloxacin cations and mesylate anions. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":" ","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46659682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
2023 ICDD® Annual Spring Meetings – A Hybrid Event 20–24 March 2023 2023年ICDD®春季年会-混合活动2023年3月20日至24日
IF 0.5 4区 材料科学
Powder Diffraction Pub Date : 2023-08-10 DOI: 10.1017/s0885715623000313
D. Zulli
{"title":"2023 ICDD® Annual Spring Meetings – A Hybrid Event 20–24 March 2023","authors":"D. Zulli","doi":"10.1017/s0885715623000313","DOIUrl":"https://doi.org/10.1017/s0885715623000313","url":null,"abstract":"","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":" ","pages":""},"PeriodicalIF":0.5,"publicationDate":"2023-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49535112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","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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