Chemistry methods : new approaches to solving problems in chemistry最新文献_第3页

pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML** pHbot：通过物理信息ML**实现粘性配方 pH 值调节的自驱动机器人

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-12-13 DOI: 10.1002/cmtd.202300043

Aniket Chitre, Dr. Jayce Cheng, Sarfaraz Ahamed, Robert C. M. Querimit, Dr. Benchuan Zhu, Dr. Ke Wang, Dr. Long Wang, Prof. Kedar Hippalgaonkar, Prof. Alexei A. Lapkin

{"title":"pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML**","authors":"Aniket Chitre, Dr. Jayce Cheng, Sarfaraz Ahamed, Robert C. M. Querimit, Dr. Benchuan Zhu, Dr. Ke Wang, Dr. Long Wang, Prof. Kedar Hippalgaonkar, Prof. Alexei A. Lapkin","doi":"10.1002/cmtd.202300043","DOIUrl":"10.1002/cmtd.202300043","url":null,"abstract":"pH adjustment is crucial for many industrial products, yet this step is typically performed by manual trial-and-error. A particularly industrially relevant yet challenging titration is that of adjusting viscous liquid formulations using weak, polyprotic titrants (usually citric acid). Handling of viscous, non-Newtonian formulations, with such polyprotic acids preferred for their chelation and buffering effects make a robotic solution challenging. We present a self-driving pH robot integrated with physics-informed learning; this hybrid physical-ML model enables automated titration with weak-strong acid/base pairs. To deal with the high viscosities of these formulations, we developed specific automated mixing and cleaning protocols. We hit the target pH within two to five iterations over 250 distinct formulations in lab-scale small-batch (~10 mL and 12 samples) titrations. In the interest of scaling up to match industrial processes, we also demonstrate that our hybrid algorithm works at ~25× scale-up. The method is general, and we open-source our algorithm and designs.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202300043","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139181006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Cover Picture: (Chem. Methods 12/2023) 封面图片:(化学)方法12/2023)

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-12-06 DOI: 10.1002/cmtd.202381201

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Opportunities and Obstacles in LCTEM Nanoimaging – A Review LCTEM 纳米成像的机遇与障碍 - 综述

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-12-05 DOI: 10.1002/cmtd.202300041

Tomasz Tarnawski, Prof. Magdalena Parlińska-Wojtan

{"title":"Opportunities and Obstacles in LCTEM Nanoimaging – A Review","authors":"Tomasz Tarnawski, Prof. Magdalena Parlińska-Wojtan","doi":"10.1002/cmtd.202300041","DOIUrl":"https://doi.org/10.1002/cmtd.202300041","url":null,"abstract":"Liquid Cell Transmission Electron Microscopy (LCTEM) is a great progression in nanostructure imaging, allowing the observation of chemical reactions in real time. It is widely reported, that this technique can be successfully used for analyzing nanoparticles synthesis, diffusion, aggregation and degradation. This gives a completely new insight into nanotechnological research. Normally, samples in TEM must be observed in vacuum, showing only the results of a performed experiment, whereas in situ observations in liquid environment provide information about the dynamics of the processes. LCTEM can show, how orientation of the particles/aggregates, surface roughness or solution flow rate influence the examined reaction. Those data are highly valuable for creating kinetic models of the reactions. There are however still some obstacles in LCTEM. Imaging of nanostructures in liquid environment is problematic since the electron beam reportedly may affect the observed sample. The beam modifies the temperature and pH of the liquid sample, changing the process dynamics. Therefore, its influence needs to be considered during in situ TEM observations. Nevertheless, LCTEM remains one of the highest achievements in the field of nanostructures imaging. In this review, recent achievements and developments of the LCTEM technique are presented.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202300041","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140066516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Exploring the Capability of Framework Materials to Improve Cathodes’ Performance for High-energy Lithium-ion Batteries 探索框架材料提高高能锂离子电池阴极性能的能力

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-11-30 DOI: 10.1002/cmtd.202300039

Dr. Rajashree Konar, Dr. Sandipan Maiti, Prof. Boris Markovsky, Dr. Hadar Sclar, Prof. Doron Aurbach

{"title":"Exploring the Capability of Framework Materials to Improve Cathodes’ Performance for High-energy Lithium-ion Batteries","authors":"Dr. Rajashree Konar, Dr. Sandipan Maiti, Prof. Boris Markovsky, Dr. Hadar Sclar, Prof. Doron Aurbach","doi":"10.1002/cmtd.202300039","DOIUrl":"10.1002/cmtd.202300039","url":null,"abstract":"Lithiated transition metal oxides are the most important cathode materials for lithium-ion batteries. Many efforts have been devoted in recent years to improving their energy density, stability, and safety, as demonstrated by thousands of publications. However, the commercialization of several promising materials is limited due to obstacles like stability limitations. To overcome the limitations of energetically high-voltage or high-capacity cathode materials, unconventional solutions for their surface engineering were suggested; among them, metal–organic frameworks (MOFs) and zeolites have been employed. MOFs possess favorable characteristics for stabilization goals, including manageable structures, topological control, high porosity, large surface area, and low density. This review article explores promising strategies for improving the electrochemical behavior of favorable cathode materials through surface modifications by using MOFs and zeolites. Investigating the potential of this frameworks-based surface engineering for high energy density batteries’ electrodes is essential for optimal control of their surface chemistry. It may be highly effective to upgrade the performance of high-energy cathode materials, thus extending the practical use of very high energy density rechargeable batteries.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202300039","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139207980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cover Picture: (Chem. Methods 11/2023) 封面图片：（化学方法2023年11月）

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-11-06 DOI: 10.1002/cmtd.202381101

引用次数: 0

Click-on Antibody Fragments for Customisable Targeted Nanomedicines – Site-specific Tetrazine and Azide Functionalisation through Non-canonical Amino Acid incorporation 用于可定制靶向纳米药物的点击抗体片段--通过非典型氨基酸结合实现特定位点四嗪和叠氮功能化

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-10-23 DOI: 10.1002/cmtd.202300036

Dr. Pie Huda, James Humphries, Dr. Nicholas L. Fletcher, Dr. Christopher B. Howard, Prof. Kristofer J. Thurecht, Dr. Craig A. Bell

{"title":"Click-on Antibody Fragments for Customisable Targeted Nanomedicines – Site-specific Tetrazine and Azide Functionalisation through Non-canonical Amino Acid incorporation","authors":"Dr. Pie Huda, James Humphries, Dr. Nicholas L. Fletcher, Dr. Christopher B. Howard, Prof. Kristofer J. Thurecht, Dr. Craig A. Bell","doi":"10.1002/cmtd.202300036","DOIUrl":"10.1002/cmtd.202300036","url":null,"abstract":"Protein functionalisation for the development of imaging agents and antibody drug conjugates still often relies on statistical amidation of the protein through accessible lysine and cysteine residues, requiring protein to protein conjugation optimisation and can potentially impact the overall function. To combat this, focus has turned to developing proteins that have noncanonical amino acids incorporated into their structure, allowing for site-specific labelling and functionalisation. Herein we showcase the incorporation of non-canonical amino acids bearing a tetrazine or azide orthogonal coupling modality into biologics targeted to the prostate-specific membrane antigen and epidermal growth factor receptor respectively. The placement of these bioorthogonal residues into nanobody or single chain variable fragments (scFvs) is introduced by site-directed mutagenesis of the protein-coding DNA that allows for controlled insertion when these proteins are expressed. We show that bioorthogonal coupling of model compounds such as fluorophore or polymeric materials onto the protein does not significantly change the binding affinity, making these protein conjugation methods a powerful tool for development of simple customisable personalised targeted antibody-drug conjugates where affinity is retained.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202300036","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135368640","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Cover Picture: (Chem. Methods 10/2023) 封面图片：（化学方法10/2023）

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-10-12 DOI: 10.1002/cmtd.202300047

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Good Practices and Practical Considerations for Research with Perfluoroalkyl Substances 全氟烷基物质研究的良好做法和实际考虑因素

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-09-27 DOI: 10.1002/cmtd.202300017

Chloe M. Taylor, Prof. Michael C. Breadmore, Dr. Nathan L. Kilah

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A Review of Polymer Electrolyte Fuel Cells Fault Diagnosis: Progress and Perspectives 聚合物电解质燃料电池故障诊断研究进展与展望

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-09-05 DOI: 10.1002/cmtd.202300030

Shangwei Zhou, Dr. Rhodri Jervis

{"title":"A Review of Polymer Electrolyte Fuel Cells Fault Diagnosis: Progress and Perspectives","authors":"Shangwei Zhou, Dr. Rhodri Jervis","doi":"10.1002/cmtd.202300030","DOIUrl":"10.1002/cmtd.202300030","url":null,"abstract":"Polymer electrolyte fuel cells (PEFCs) are regarded as a substitution for the combustion engine with high energy conversion efficiency and zero CO2 emissions. Stable system operation requires control within a relatively narrow range of operating conditions to achieve the optimal output, leading to faults that can easily cause accelerated degradation when operating conditions deviate from the control targets. Performance recovery of the system can be realized through early fault diagnosis; therefore, accurate and effective diagnostic characterisation is vital for long-term serving. A review of off-line and on-line techniques applied to the fault diagnosis of fuel cells is presented in this work. Off-line approaches include electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), galvanostatic charge (GSC), visualisation-based and image-based techniques; the on-line methods can be divided into model-based, data-driven, signal-based and hybrid methods. Since each methodology has advantages and drawbacks, its effectiveness is analysed, and limitations are highlighted.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202300030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41754657","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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SERS Detection of Hg2+ using Rhenium Carbonyl Labelled Nanoparticle Films 铼羰基标记纳米颗粒膜对Hg2+的SERS检测

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2023-09-05 DOI: 10.1002/cmtd.202300032

Dr. Joshua N. Lea, Dr. Heather J. Montgomery, Dr. Yikai Xu, Prof. Steven E. J. Bell, Dr. Lorna Ashton, Dr. Nicholas C. Fletcher

{"title":"SERS Detection of Hg2+ using Rhenium Carbonyl Labelled Nanoparticle Films","authors":"Dr. Joshua N. Lea, Dr. Heather J. Montgomery, Dr. Yikai Xu, Prof. Steven E. J. Bell, Dr. Lorna Ashton, Dr. Nicholas C. Fletcher","doi":"10.1002/cmtd.202300032","DOIUrl":"10.1002/cmtd.202300032","url":null,"abstract":"Modified silver nanoparticles with a self-assembled disulfide functionalized 2,2'-bipyridine (L1 and L2) monolayer, and the corresponding rhenium complex [Re(L2)(CO)3Br] are shown to provide a method to position the nanoparticles at a water/dichloromethane interface forming a lustrous metal-like-liquid film (MeLLF) with a unique SERS response. The film formed using L2 showed divergent behaviour in the presence of a range of metal ions whilst bound to the surface. [Re(L)(CO)3Br] (where L=2,2'-bipyridine, L1 and L2) in solution demonstrates a selective interaction with Hg2+, observed by UV-vis, emission and 1H NMR spectroscopy, attributed to abstraction of the bromide. This interaction was demonstrated by subtle changes in the characteristic Raman Re-CO stretch at 510 cm−1 both with the MeLLF, and when the film is immobilized in a PVA surface-exposed-nano-sheet (SENS). The work provides proof of concept that the organometallic complexes can be employed as “labels” to generate SERS-active nanoparticle films that possess detection capabilities.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202300032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44023374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0