Applied Research最新文献_第7页

Accelerating Drug Discovery With High-Throughput Crystallographic Fragment Screening and Structural Enablement 利用高通量晶体学片段筛选和结构赋能加速药物发现

Applied Research Pub Date : 2024-11-24 DOI: 10.1002/appl.202400192

Daren Fearon, Ailsa Powell, Alice Douangamath, Alexandre Dias, Charles W. E. Tomlinson, Blake H. Balcomb, Jasmin C. Aschenbrenner, Anthony Aimon, Isabel A. Barker, José Brandão-Neto, Patrick Collins, Louise E. Dunnett, Michael Fairhead, Richard J. Gildea, Mathew Golding, Tyler Gorrie-Stone, Paul V. Hathaway, Lizbé Koekemoer, Tobias Krojer, Ryan M. Lithgo, Elizabeth M. Maclean, Peter G. Marples, Xiaomin Ni, Rachael Skyner, Romain Talon, Warren Thompson, Conor F. Wild, Max Winokan, Nathan David Wright, Graeme Winter, Elizabeth J. Shotton, Frank von Delft

{"title":"Accelerating Drug Discovery With High-Throughput Crystallographic Fragment Screening and Structural Enablement","authors":"Daren Fearon, Ailsa Powell, Alice Douangamath, Alexandre Dias, Charles W. E. Tomlinson, Blake H. Balcomb, Jasmin C. Aschenbrenner, Anthony Aimon, Isabel A. Barker, José Brandão-Neto, Patrick Collins, Louise E. Dunnett, Michael Fairhead, Richard J. Gildea, Mathew Golding, Tyler Gorrie-Stone, Paul V. Hathaway, Lizbé Koekemoer, Tobias Krojer, Ryan M. Lithgo, Elizabeth M. Maclean, Peter G. Marples, Xiaomin Ni, Rachael Skyner, Romain Talon, Warren Thompson, Conor F. Wild, Max Winokan, Nathan David Wright, Graeme Winter, Elizabeth J. Shotton, Frank von Delft","doi":"10.1002/appl.202400192","DOIUrl":"https://doi.org/10.1002/appl.202400192","url":null,"abstract":"Fragment-based drug discovery is a well-established method for the identification of chemical starting points for development into clinical candidates. Historically, crystallographic fragment screening was perceived to be low-throughput and time consuming. However, thanks to advances in synchrotron capabilities and the introduction of dedicated facilities, such as the XChem platform at Diamond Light Source, there have been substantial improvements in throughput and integration between sample preparation, data collection and hit identification. Herein we share our experiences of establishing a crystallographic fragment screening facility, our learnings from operating a user programme for ten years and our perspective on applying structural enablement to rapidly progress initial fragment hits to lead-like molecules.","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400192","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868894","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

PEDOT:PSS Electropolymerization Protocol for Microelectrodes Enabling Low-Cost Impedance-Based Cellular Assays 微电极的PSS电聚合协议，实现低成本的基于阻抗的细胞测定

Applied Research Pub Date : 2024-11-07 DOI: 10.1002/appl.202400087

Andrea Kauth, Joachim Wegener, Huijie Jiang, Vivek Pachauri, Sven Ingebrandt

{"title":"PEDOT:PSS Electropolymerization Protocol for Microelectrodes Enabling Low-Cost Impedance-Based Cellular Assays","authors":"Andrea Kauth, Joachim Wegener, Huijie Jiang, Vivek Pachauri, Sven Ingebrandt","doi":"10.1002/appl.202400087","DOIUrl":"https://doi.org/10.1002/appl.202400087","url":null,"abstract":"Electric cell-substrate impedance sensing (ECIS) is a label-free method for in vitro cell analysis in different research fields such as virology, cancer research, and stem cell research. In the ECIS configuration, the working electrode (WE) is typically much smaller than the counter electrode, thus the measured impedance between both is mainly dominated by the impedance of the WE. However, if the impedance of the WE is too high, it is challenging to detect small changes in impedance caused by cells attached to the electrode surface. In this study, we present an easily reproducible and cost-effective method to lower the impedance of commercial ECIS electrodes, and by this increase the cell contribution in adhesion assays. Hereby we deposit a thin layer of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) only onto the gold electrodes by electropolymerization and study the layer characteristics in detail. We compare cell-free and cell-covered impedance spectra of gold and PEDOT:PSS electrodes recorded with a low-cost potentiostat and analyze the ECIS spectra of two different cell lines in detail.","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400087","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868022","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

Perspective on Dual-Tower Concentrated Solar Power Plants 双塔聚光太阳能电站展望

Applied Research Pub Date : 2024-10-30 DOI: 10.1002/appl.202400207

Alberto Boretti

引用次数: 0

Improved Production Process Map and Safety of Millet-Based Fermented Beverage 改进的小米发酵饮料生产工艺图及安全性研究

Applied Research Pub Date : 2024-10-20 DOI: 10.1002/appl.202400166

Eric Owusu Mensah, Emmanuel Boakye Asare

{"title":"Improved Production Process Map and Safety of Millet-Based Fermented Beverage","authors":"Eric Owusu Mensah, Emmanuel Boakye Asare","doi":"10.1002/appl.202400166","DOIUrl":"https://doi.org/10.1002/appl.202400166","url":null,"abstract":"<div>\u0000 \u0000 The present study aimed to develop a standardized process map to produce a microbiologically safe and consumer-acceptable Brukina beverage. Field interactions and observations were employed for the baseline data, while an improved production process was developed and utilized to produce a Brukina beverage. The microbial safety of the new approach was assessed by determining the total coliform, yeast and mold, as well as Staphylococcus aureus. A consumer preference test was conducted to validate the contribution of the improved and hygienic steps to the overall acceptability. The existing production processes for manufacturing Brukina beverage did not embrace Good Manufacturing Practices (GMPs) and as such, the resultant beverage was contaminated with coliforms and S. aureus. Moreover, the sensory characteristics including taste, mouthfeel, viscosity and overall acceptability, were negatively affected. The inclusion of food safety management practices and efficient production steps has a greater tendency of producing microbiologically safe and market-acceptable fermented millet-based beverages while safeguarding consumers’ health and satisfaction.</div>","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400166","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868744","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

How Two-Dimensional Heterocovariance Spectroscopy and Data Fusion Level out the Inadequacies of Compact Spectrometers 二维异质协方差光谱和数据融合如何弥补小型光谱仪的不足

Applied Research Pub Date : 2024-10-20 DOI: 10.1002/appl.202400175

Lukas Mahler, Christian Mayer, Martin Jaeger

{"title":"How Two-Dimensional Heterocovariance Spectroscopy and Data Fusion Level out the Inadequacies of Compact Spectrometers","authors":"Lukas Mahler, Christian Mayer, Martin Jaeger","doi":"10.1002/appl.202400175","DOIUrl":"https://doi.org/10.1002/appl.202400175","url":null,"abstract":"Over the past decade, sensors and compact spectrometers have emerged as a powerful means for real-time monitoring of chemical and biochemical processes in the field of process analytical technologies (PATs). This is largely attributed to cost-efficiency and their robustness in near-line applications. In comparison to more sophisticated laboratory instruments, these devices exhibit limited sensitivity and resolution. In this study, a combination of near-infrared, low-field 1H nuclear magnetic resonance and compact Raman spectrometers were employed for the process monitoring of the acid-catalyzed esterification of isoamyl alcohol and acetic acid to isoamyl acetate. The resulting real-time data were transformed and visualized for interpretation using two-dimensional heterocovariance spectroscopy. The data were also subjected to pretreatment, concatenation, and multivariate analysis in accordance with low- and mid-level data fusion. The spectral interpretation derived from heterocovariance spectroscopy provided support for the data pretreatment during data fusion. By applying these computational techniques, the inherent limitations of sensitivity and resolution associated with compact spectroscopic instruments could be overcome, thereby facilitating the interpretation of data and yielding further insights into the process under study. A comparison of the process parameters resulting from the applied methods indicated that consistent data could be obtained. This study demonstrates that heterocovariance spectroscopy and data fusion allow to enhance compact, less expensive analytical instruments for process monitoring and to acquire process knowledge. This, in turn, enables material, financial, and energy resources to be conserved.","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400175","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868743","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

Polyaniline-Doped Textile-Based Triboelectric Nanogenerator: Self-Powered Device for Wearable Electronics 基于聚苯胺掺杂纺织品的摩擦纳米发电机：可穿戴电子设备的自供电装置

Applied Research Pub Date : 2024-10-18 DOI: 10.1002/appl.202400124

Sebghatullah Amini, Rumana Farheen Sagade Muktar Ahmed, Sangamesha Madanahalli Ankanathappa, Krishnaveni Sannathammegowda

{"title":"Polyaniline-Doped Textile-Based Triboelectric Nanogenerator: Self-Powered Device for Wearable Electronics","authors":"Sebghatullah Amini, Rumana Farheen Sagade Muktar Ahmed, Sangamesha Madanahalli Ankanathappa, Krishnaveni Sannathammegowda","doi":"10.1002/appl.202400124","DOIUrl":"https://doi.org/10.1002/appl.202400124","url":null,"abstract":"<div>\u0000 \u0000 The emergence of wearable electronics in contemporary lifestyles has spurred the need for smart fabrics capable of harnessing biomechanical energy. In the present study, a flexible polyaniline-doped textile-based triboelectric nanogenerator (PT-TENG) is designed to harvest low-frequency mechanical vibrations and convert them into electricity. For the device fabrication, five different textile fabrics are doped with conducting PANI, which is utilized as the tribopositive material, PVC thin film as the tribonegative material, and Al foil as electrodes. The PT-TENG works in vertical-contact separation mode, devised in arch structure for easy and complete contact between the working layers. Interestingly, the device featuring a PANI-doped silk fabric generated the highest output voltage of 257.68 V and a current of 5.36 μA, respectively. Additionally, the PT-TENG exhibits mechanical durability and electrical stability during continuous 7000 cyclic operations. Furthermore, the PT-TENG showcases practical applications such as charging commercial capacitors, powering green LEDs and smartwatches, and as a self-powered touch sensor. Thus, the PT-TENG offers a facile fabrication process and robustness, highlighting its potential for sustainable energy harvesting in wearable electronics.</div>","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400124","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868857","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

Design, Synthesis, and Biological Evaluation of Novel Heterocyclic Derivatives of 2,4-Thiazolidine Dione as Anti-Cancer Agents 新型抗癌药物2,4-噻唑烷二酮杂环衍生物的设计、合成及生物学评价

Applied Research Pub Date : 2024-10-13 DOI: 10.1002/appl.202400176

Kiran Kumar Vunnam, Naresh Kumar Katari, Nagalakshmi Jeedimalla, Rambabu Gundla, Jayaprakash Kanijam Raghupathi

{"title":"Design, Synthesis, and Biological Evaluation of Novel Heterocyclic Derivatives of 2,4-Thiazolidine Dione as Anti-Cancer Agents","authors":"Kiran Kumar Vunnam, Naresh Kumar Katari, Nagalakshmi Jeedimalla, Rambabu Gundla, Jayaprakash Kanijam Raghupathi","doi":"10.1002/appl.202400176","DOIUrl":"https://doi.org/10.1002/appl.202400176","url":null,"abstract":"This study explores the development of novel 2,4-thiazolidinedione derivatives as potential anticancer agents. We report the synthesis of 15 novel analogs utilizing a strategic approach focused on intermediate diversification. Key intermediates, (Z)-5-([1,1′-biphenyl]-4-ylmethylene)thiazolidine-2,4-dione 5a and (Z)-5-(benzo[1,3]dioxol-5-ylmethylene)thiazolidine-2,4-dione 5b, were synthesized via Knoevenagel condensation and acetal formation reactions, respectively. Subsequent N-alkylation reactions provided a platform for introducing diverse functionalities and exploring structure–activity relationships to optimize the medicinal chemistry profile of these novel compounds. The synthesized compounds were tested against various human cancer cell lines, including for breast (MCF-7, MDA-MB-453), lung (A549), and prostate (PC-3) cancers, using an MTT assay. Compounds 8c and 10g emerged as particularly promising, exhibiting activity against all tested cell lines with IC50 values between 3.41 ± 0.51 and 40 μM. These compounds also induced apoptosis, suggesting that they inhibit cell proliferation through this cell death pathway. Moreover, relative molecular docking studies provided evidence that compound 8c likely functions by intercalating with DNA.","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400176","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142868560","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 Image: Volume 3 Issue 5 封面图片第 3 卷第 5 期

Applied Research Pub Date : 2024-10-10 DOI: 10.1002/appl.202470501

引用次数: 0

Status Monitoring System of Reciprocating Hydrogen Compressor Based on Hilbert−Huang Transform 基于Hilbert−Huang变换的往复式氢气压缩机状态监测系统

Applied Research Pub Date : 2024-10-06 DOI: 10.1002/appl.202400204

Haiyang Li, Diankui Gao, Bin Zhao

{"title":"Status Monitoring System of Reciprocating Hydrogen Compressor Based on Hilbert−Huang Transform","authors":"Haiyang Li, Diankui Gao, Bin Zhao","doi":"10.1002/appl.202400204","DOIUrl":"https://doi.org/10.1002/appl.202400204","url":null,"abstract":"<div>\u0000 \u0000 A reciprocating hydrogen compressor status monitoring system for predictive maintenance is developed based on HHT (Hilbert−Huang Transform) with multiple functions, strong applicability, and high accuracy to address the problem of difficulty in identifying fault signals and failure to provide advance warning before faults occur in the reciprocating hydrogen compressor state monitoring system. Design framework of monitoring system is confirmed, and function modules are designed based on LabView platform. HHT is applied to monitor the status of reciprocating hydrogen compressor based on LabView platform. A reciprocating hydrogen compressor is selected as research object, status monitoring analysis is carried out. Five working states of reciprocating hydrogen compressor are collected, which conclude normal state, filler malfunction, cross-head malfunction, air valve malfunction, and piston rod malfunction. HHT is carried out for five signals, and results show that HHT marginal spectrum of five signals has different characteristics. Based on comparison results, precision of HHT ranges from 0.757 to 0.784, recall of HHT ranges from 0.738 to 0.766, F1-score of HHT ranges from to 0.788 to 0.804, HHT has better performance than other two methods. Proposed monitoring system designed in this study provides a comprehensive and efficient online monitoring and data analysis solution for reciprocating hydrogen compressors, which can achieve fault prediction of reciprocating hydrogen compressor, reduce failure rate, and effectively improve the reliability of the compressor oil injection system.</div>","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"4 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400204","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142867909","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

Harnessing Intrinsic Properties of Two-Dimensional Materials for Advanced Electrochemical Catalytic Applications 利用二维材料的固有性质进行先进的电化学催化应用

Applied Research Pub Date : 2024-09-27 DOI: 10.1002/appl.202400143

Tae Hyung Lee, Sang Eon Jun, Seungwon Choi, Ho Won Jang

引用次数: 0