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Crystal structure and X-ray powder diffraction data for Lumateperone tosylate 甲磺酸Lumateperone的晶体结构和x射线粉末衍射数据
4区 材料科学
Powder Diffraction Pub Date : 2023-10-27 DOI: 10.1017/s0885715623000337
Jiyong Liu, Dier Shi, Shuna Liu, Xiurong Hu
{"title":"Crystal structure and X-ray powder diffraction data for Lumateperone tosylate","authors":"Jiyong Liu, Dier Shi, Shuna Liu, Xiurong Hu","doi":"10.1017/s0885715623000337","DOIUrl":"https://doi.org/10.1017/s0885715623000337","url":null,"abstract":"X-ray powder diffraction data, unit-cell parameters, and space group for the Lumateperone tosylate, C 24 H 29 FN 3 O⋅C 7 H 7 O 3 S, are reported [ a = 15.5848(10) Å, b = 6.0700(4) Å, c = 31.3201(14) Å, β = 96.544(5)°, V = 2943.58 Å 3 , Z = 4, and space group C 2]. In each case, all measured lines were indexed and were consistent with the corresponding space group. The single-crystal data of Lumateperone tosylate is also reported, respectively [ a = 15.626(3) Å, b = 6.0806(10) Å, c = 31.415(5) Å, β = 96.609(7)°, V = 2965.1(8) Å 3 , Z = 4, and space group C 2]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data with preferred orientation in the [002] direction (orientation coefficient = 0.75).","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"5 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136262759","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, powder diffraction pattern, crystal structure determination of the pharmaceutical co-crystal of levetiracetam and 3,5-dinitrosalicylic acid 左乙拉西坦与3,5-二硝基水杨酸药用共晶的合成、粉末衍射模式及晶体结构测定
4区 材料科学
Powder Diffraction Pub Date : 2023-10-16 DOI: 10.1017/s0885715623000374
Lingling Shi, Zhengguo Chen, Hany Kafafy, Zhaoxia Zhang, Guocheng Zhu, Juming Yao, Guoqing Zhang
{"title":"Synthesis, powder diffraction pattern, crystal structure determination of the pharmaceutical co-crystal of levetiracetam and 3,5-dinitrosalicylic acid","authors":"Lingling Shi, Zhengguo Chen, Hany Kafafy, Zhaoxia Zhang, Guocheng Zhu, Juming Yao, Guoqing Zhang","doi":"10.1017/s0885715623000374","DOIUrl":"https://doi.org/10.1017/s0885715623000374","url":null,"abstract":"( S )-α-Ethyl-2-oxo-1-pyrrolidineacetamide (trade name levetiracetam), a derivative of piracetam, is used clinically as an add-on treatment for partial-onset seizures. In this study, we report the solid-state structure of a new drug co-crystal produced from levetiracetam and 3,5-dinitrosalicylic acid through cooling crystallization. This compound was further characterized by infrared spectroscopy, powder X-ray diffraction, and single-crystal X-ray diffraction. The new co-crystals show a 1:1 stoichiometry and crystallize in the monoclinic system, space group P 2 1 , with cell parameters: a = 9.7709(3) Å, b = 6.2202(2) Å, c = 14.7280(4) Å, α = 90°, β = 96.0340(10)°, γ = 90°, V = 890.16(5) Å 3 , and Z = 2. It is identified that hydrogen bonds are the main interactions between levetiracetam and 3,5-dinitrosalicylic acid, and the contribution of each hydrogen bond in maintaining the stability of the crystal structure was also quantified using Hirshfeld surface analysis.","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"173 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136113991","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
Long-term benefit after allergen immunotherapy to HDM in elderly patients with allergic rhinitis. 过敏原免疫治疗老年变应性鼻炎患者HDM的远期疗效。
4区 材料科学
Powder Diffraction Pub Date : 2023-10-01 Epub Date: 2023-07-19 DOI: 10.5114/ada.2023.129942
Andrzej Bożek, Agnieszka Bogacz-Piaseczyńska, Martyna Miodońska, Dominika Sadowska
{"title":"Long-term benefit after allergen immunotherapy to HDM in elderly patients with allergic rhinitis.","authors":"Andrzej Bożek, Agnieszka Bogacz-Piaseczyńska, Martyna Miodońska, Dominika Sadowska","doi":"10.5114/ada.2023.129942","DOIUrl":"10.5114/ada.2023.129942","url":null,"abstract":"<p><strong>Introduction: </strong>Allergen immunotherapy (AIT) is an effective therapy for allergic rhinitis and may have long-term benefits. However, these benefits have not been strictly defined for older people.</p><p><strong>Aim: </strong>The evaluation of the effectiveness of AIT in patients over 60 with allergic rhinitis and house dust mites (HDM) allergy over a period of 7 years was performed.</p><p><strong>Material and methods: </strong>Patients after three years of HDM-AIT were observed to assess the sustained clinical effect of treatment. The average adjusted symptom score (AAdSS) and sIgG4 were monitored for 7 years after sublingual (SLIT) and injection AIT (SCIT).</p><p><strong>Results: </strong>After 3 years of HDM-AIT, a significant clinical effect was observed in the group after SLIT and SCIT based on AAdSS compared to the baseline and the placebo group (<i>p</i> < 0.05). After 7 years of follow-up, there was a sustained trend of decrease in clinical symptoms in desensitized patients relative to placebo. Serum sIgG4 was constantly present in all desensitized patients.</p><p><strong>Conclusions: </strong>AIT may be beneficial for treating seniors with allergic rhinitis and allergies to house dust mites.</p>","PeriodicalId":20333,"journal":{"name":"Powder Diffraction","volume":"24 1","pages":"688-692"},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10646711/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86661459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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
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