Dynamical Diffraction Analysis for 3D Electron Crystallography
3D 电子晶体学的动态衍射分析
基本信息
- 批准号:10546970
- 负责人:
- 金额:$ 25万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2022
- 资助国家:美国
- 起止时间:2022-09-15 至 2023-11-14
- 项目状态:已结题
- 来源:
- 关键词:3-DimensionalAcademiaAddressAgreementAreaAutomobile DrivingCharacteristicsChemical StructureChemicalsComplexComputer softwareContractsCrystallizationCrystallographyCustomDataData AnalysesData CollectionData SetDrug ApprovalElectron MicroscopyElectronsHandednessImageIndustrializationIndustryLaboratory ResearchLegalMethodsModelingModulusMotionPhasePowder dose formProcessRadiationRegulationResolutionRotationSamplingScienceSeriesSignal TransductionSmall Business Innovation Research GrantSpottingsStructureTestingThree-dimensional analysisToxic effectTrustWorkX ray diffraction analysisX-Ray Crystallographybasecommercializationdata acquisitiondata qualityelectron crystallographyelectron diffractionexperienceimprovedindexinginterestmultiple datasetsnanocrystalnovelnovel strategiessmall moleculesubmicron
项目摘要
Project Abstract
Diffraction methods generate detailed structural information for chemical compounds, driving discoveries in many
fields across academia and industry. The standard approaches use either single crystals, which provide highly
informative data, or powders of nanocrystals, which provide less information. Microcrystal electron diffraction
(microED) has all the data richness benefits of single crystal crystallography and works with small crystals.
However, the methods for microED data acquisition and analysis are not yet mature enough to provide results
with quality and reliability comparable to X-ray crystallography. The challenges include absolute configuration
determination, efficient data collection, and diffraction data analysis in the presence of microED-specific
experimental errors. In SBIR Phase I, we will develop, implement, and test methods that address handedness
determination for small molecule crystals and combine them with effective approaches to greatly reduce
systematic errors, to enable merging datasets from multiple crystals, experimental phasing and absolute
configuration determination. In SBIR Phase II, we will expand and incorporate these solutions into an easy-to-
use, complete crystallographic package for microED and also validate the approach in a broad range of
experimental conditions, tailoring the solutions to characteristic problems.
These new methods will benefit all types of microED analysis and result (1) in absolute configuration
determination for all type of compounds, (2) expanded applicability to radiation-sensitive and other difficult-to-
handle crystals, and (3) better agreement between the model and the data which will increase the trust in results,
in particular for de novo structure determination. These benefits are of high significance for this quickly expanding
field, so the potential for successful commercialization is high.
项目摘要
衍射法为化合物生成详细的结构信息,推动了许多
学术界和工业界的各个领域。标准的方法使用单晶体,它提供了高度的
信息性数据,或纳米晶体粉末,提供的信息较少。微晶电子衍射
(MicroED)具有单晶结晶学的所有数据丰富性优势,并且适用于小晶体。
然而,获取和分析microED数据的方法还不够成熟,不能提供结果
质量和可靠性可与X射线结晶学相媲美。挑战包括绝对配置
在存在微ED特异性的情况下的测定、有效的数据收集和衍射数据分析
实验错误。在SBIR第一阶段,我们将开发、实现和测试解决惯用手问题的方法
对小分子晶体的测定,并结合有效的方法大大减少
系统误差,以支持合并来自多个晶体的数据集、实验相位和绝对
配置确定。在SBIR第二阶段,我们将扩展这些解决方案并将其整合到一个易于
使用完整的微电子衍射晶体包,并在广泛的范围内验证方法
实验条件,针对特征问题量身定做解决方案。
这些新方法将有利于所有类型的微电子能谱分析和结果(1)的绝对构型
对所有类型化合物的测定,(2)扩大了对辐射敏感和其他难以测定的化合物的适用性。
处理晶体,以及(3)模型和数据之间更好的一致性,这将增加对结果的信任,
特别是用于从头结构测定。这些好处对于这种快速扩张具有非常重要的意义
因此,成功商业化的潜力很大。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
数据更新时间:{{ journalArticles.updateTime }}
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
数据更新时间:{{ journalArticles.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ monograph.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ sciAawards.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ conferencePapers.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ patent.updateTime }}
Raquel Bromberg其他文献
Raquel Bromberg的其他文献
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
{{ truncateString('Raquel Bromberg', 18)}}的其他基金
相似海外基金
Conference: Rethinking how language background is described in academia and beyond
会议:重新思考学术界及其他领域如何描述语言背景
- 批准号:
2335912 - 财政年份:2024
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
ADVANCE Catalyst: Virtual Observatory of Culture for Equity in Academia at the University of Puerto Rico Rio Piedras (VoCEA)
ADVANCE Catalyst:波多黎各 Rio Piedras 大学学术界平等文化虚拟观察站 (VoCEA)
- 批准号:
2214418 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
Comprehensive development strategy of modality-specific "intellectual property" and "cultivation" with an eye on "pharmaceutical affairs" in academia drug discovery
学术界新药研发着眼“药事”的模式“知识产权”与“培育”综合发展策略
- 批准号:
23K02551 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Grant-in-Aid for Scientific Research (C)
Accelerating Research Advancement for Investigators Underrepresented in Academia
加速学术界代表性不足的研究人员的研究进展
- 批准号:
10746315 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Planning: HBCU-UP: Strengthening Data Science Research Capacity and Education Programs through Academia-Industry Partnership
规划:HBCU-UP:通过学术界与工业界合作加强数据科学研究能力和教育计划
- 批准号:
2332161 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Standard Grant
From Academia to Business: Development of Novel Therapeutics Against HPV-Associated Cancer
从学术界到商界:针对 HPV 相关癌症的新型疗法的开发
- 批准号:
10813323 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
Academics4Rail: Building a Community of Railway Scientific Researchers and Academia for ERJU and Enabling a Network of PhDs (Academia Teaming with Industry)
Academys4Rail:为二院建立铁路科研人员和学术界社区并启用博士网络(学术界与工业界合作)
- 批准号:
10102850 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
EU-Funded
Academics4Rail: Building a community of railway scientific researchers and academia for ERJU and enabling a network of PhDs (academia teaming with industry)
Academys4Rail:为ERJU建立铁路科研人员和学术界社区并建立博士网络(学术界与工业界合作)
- 批准号:
10087488 - 财政年份:2023
- 资助金额:
$ 25万 - 项目类别:
EU-Funded
Exploring the overall picture of industry-academia-government collaboration: A spectrum of knowledge transfer through formal and informal channels
探索产学官合作的整体图景:通过正式和非正式渠道进行的一系列知识转移
- 批准号:
22K01692 - 财政年份:2022
- 资助金额:
$ 25万 - 项目类别:
Grant-in-Aid for Scientific Research (C)
Fostering Ethical Neurotechnology Academia-Industry Partnerships: A Stakeholder Engagement and Toolkit Development Project
促进道德神经技术学术界与工业界的伙伴关系:利益相关者参与和工具包开发项目
- 批准号:
10655632 - 财政年份:2022
- 资助金额:
$ 25万 - 项目类别: