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The HZB F2X-Facility—An Efficient Crystallographic Fragment Screening Platform
Pub Date : 2024-09-16 DOI: 10.1002/appl.202400110
Tatjana Barthel, Laila Benz, Yara Basler, Thomas Crosskey, Alexander Dillmann, Ronald Förster, Paula Fröling, Camilla G. Dieguez, Christine Gless, Thomas Hauß, Michael Hellmig, Lea Jänisch, David James, Frank Lennartz, Jelena Mijatovic, Melanie Oelker, James W. Scanlan, Gert Weber, Jan Wollenhaupt, Uwe Mueller, Holger Dobbek, Markus C. Wahl, Manfred S. Weiss

Crystallographic fragment screening (CFS) has recently matured into an important method for the early stages of drug discovery projects. It is based on high-throughput structure determination and thus requires a high degree of automation as well as specialized workflows and robust analysis tools. Consequently, large-scale research facilities such as synchrotrons have embraced the method, and developed platforms to perform CFS campaigns with the help of crystallography experts and specific tools. The BESSY II synchrotron, operated by the Helmholtz–Zentrum Berlin (HZB), is one of these synchrotron facilities that offer a CFS platform, named the F2X-facility. Here, the specialized F2X workflow is described along with the relevant differences to other existing CFS platforms, and the ongoing developments aimed at supporting users of the facility. The different stages of a CFS campaign including requirements, beamline capabilities, and the software environment are detailed and explained. A unique F2X-GO kit is featured, which allows users the possibility of performing all sample preparation in their home laboratories. Furthermore, at the HZB a computational workflow has been built to support users beyond the hit identification stage. The advantages of the F2X-facility at HZB are described and references are provided to successfully conduct CFS.

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引用次数: 0
Robot-assisted crack detection on complex shaped components using constant-speed scanning infrared thermography with laser line excitation
Pub Date : 2024-08-29 DOI: 10.1002/appl.202400007
Nelson W. Pech-May, Julien Lecompagnon, Philipp Hirsch, Mathias Ziegler

Infrared thermography (IRT) using a focused laser is effective for surface defect detection. Nevertheless, testing complex-shaped components remains a challenging task. The state-of-the-art focuses on testing a limited region of interest rather than the full sample. Thus, detection and location of surface defects has been less researched. Most attempts require a manual scan of the full sample, which makes it hard to reconstruct the full scanned surface. Here, we introduce a reliable workflow for crack detection and semi-automated inspection of complex-shaped components using IRT excited with a laser line. A 6-axis robot arm is used for moving the sample in front of the setup. This approach has been tested on a section of a rail and a gear, both containing defects due to heavy use. Crack detection is based on the segmentation of thermograms obtained by Fourier transform of sorted temperatures. Moreover, texture mapping is used to visualize a reconstructed thermogram on the 3D model of the sample. Our approach illustrates a reliable process towards the digitalization of thermographic testing.

使用聚焦激光进行红外热成像(IRT)可有效检测表面缺陷。然而,测试形状复杂的部件仍然是一项具有挑战性的任务。最先进的技术侧重于测试有限的感兴趣区域,而不是整个样品。因此,对表面缺陷的检测和定位研究较少。大多数尝试都需要对整个样品进行手动扫描,这就很难重建完整的扫描表面。在此,我们介绍一种可靠的工作流程,利用激光线激发的 IRT 对形状复杂的部件进行裂纹检测和半自动检查。使用六轴机械臂将样品移动到装置前方。这种方法已在一段导轨和一个齿轮上进行了测试,这两个部件都含有因大量使用而产生的缺陷。裂纹检测基于对分类温度傅立叶变换获得的热图进行分割。此外,纹理映射还用于在样品的三维模型上可视化重建的热图。我们的方法展示了热成像检测数字化的可靠流程。
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引用次数: 0
Accelerated solvent extraction of apomorphine from Nymphaea caerulea (Blue Water Lily) products: A proof-of-concept Green extraction for plant materials
Pub Date : 2024-08-27 DOI: 10.1002/appl.202400122
Rohith Krishna, Anirudha Dixit, Ketan Patil, Shalvi Agrawal, Jilja Joseph, Astha Pandey, Mahipal Singh Sankhla

Nymphaea caerulea (Blue water lily) is an esthetically pleasing aquatic plant which is widely located across India and Africa. The blue water lily contains an alkaloid called apomorphine which is said to be a sedative, and a nonselective dopamine agonist and is now available in the local and online market in the form of powders and oils for various applications such as sleeping aid, anxiety reliever and sexual performance enhancer. These properties are abused by the consumption of Nymphaea caerulea to achieve a state of “high” which has led the categorization of the same as a novel psychoactive substance. In this paper, a rapid mass spectral analysis was performed for the preliminary screening of commercially available blue water lily products using the Waters Radian as soon as possible instrument, followed by the high performance liquid chromatography-photo diode array method development and validation of the samples for the qualitative and quantitative analysis of apomorphine. Accelerated solvent extraction as a green alternative to the conventional soxhlet extraction was used in the extraction of the plant material. The method was finally screened for its greenness using the Complex green analytical procedure index method. The method was validated with a linearity of 0.9973; limit of detection and limit of quantitation of 0.02 and 0.18 µg/mL, respectively. The method was able to detect and quantitate apomorphine in two samples from the commercially available natural products of Nymphaea caerulea.

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引用次数: 0
Impedance-based monitoring of titration and neutralization assays with VSV-G and SARS-CoV-2-spike pseudoviruses
Pub Date : 2024-08-27 DOI: 10.1002/appl.202400097
Anne-Kathrin Mildner, Sebastian Einhauser, Stefanie Michaelis, Klara Rogalla v. Bieberstein, Ralf Wagner, Joachim Wegener

Since cell-based virus neutralization assays are still the gold standard to assess a patient's immune protection against a given virus, they are of utmost importance for serodiagnosis, convalescent plasma therapy, and vaccine development. Monitoring the emergence and characteristics of neutralizing antibodies in an outbreak situation, confirming neutralizing antibodies as correlates of protection from infection and testing vaccine-induced potency of neutralizing antibody responses, quests for automated, fast, and parallel neutralization assays. We developed an impedance-based sensor platform (electric cell-substrate impedance sensing, ECIS) providing time-resolved monitoring of the host cell response to viral pseudotypes. For validation, the impedance assay was compared with state-of-the-art quantification of virus-induced reporter protein expression as an independent indicator of virus infection and neutralization. Vesicular stomatitis virus (VSV) derived pseudoviruses encoding the green fluorescent protein (GFP) as reporter and the autologous G protein (VSV-G) for the initial binding to the host cell membrane were used for monitoring of HEK293T cell infection and neutralization with both, impedance and optical readout. Virus-induced cytopathic effects (CPE) were detectable for low pseudotype concentrations (multiplicity of infection 1) in time-resolved impedance profiles as soon as 5–10 h after infection in a concentration-dependent manner. Neutralization efficacy of α-VSV-G antibodies was determined from impedance time courses and IC50 values compared favorably with fluorescence measurements of virus-borne GFP expression. Sera of convalescent COVID-19 patients were tested successfully for SARS-CoV-2 neutralizing antibodies by incubating VSV, pseudotyped with the SARS-CoV-2 spike protein, with different sera before host cell exposure and impedance recordings. In summary: (i) ECIS monitoring was successfully applied to detect virus-mediated cell infection and neutralization; (ii) Impedance-based monitoring allows reducing the assay time to 5–10 h; and (iii) the platform is easily adapted to other virus-based diseases and scalable to high-throughput.

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引用次数: 0
A comprehensive analysis of photovoltaic panel integrated thermoelectric cooling system for enhanced power generation
Pub Date : 2024-08-21 DOI: 10.1002/appl.202400100
Rahul Chandel, Shyam Singh Chandel, Deo Prasad, Ram Prakash Dwivedi

The integrated photovoltaic-thermoelectric cooling systems (PV-TECS) can be used to enhance the performance and life expectancy of commercial PV power plants for sustainable power generation. The objective of the study is to assess the efficacy of PV-TECS to address these concerns. In this study, computational fluid dynamics/finite element method analysis and experimental investigation of photovoltaic micro-modules (PVMM-2) with a thermoelectric cooling system and a reference system without it (PVMM-1), is carried out under real outdoor conditions. The logged data and infrared thermal imaging analysis results show that thermoelectric cooling is very effective in maintaining a consistent PV back temperature difference of 18.24°C between PVMM-2 and the reference system, even reaching subzero temperature when the reference module operates close to 60°C. The simulated results are found to be in close agreement with the experimental results (R2 values of 0.83 and 0.94) which allows accurate prediction of system performance under actual solar loading conditions. Further analysis shows that PV-TECS can be effectively used in photovoltaic power plants for efficiency enhancement with a gain in the range of 1%–22% for a monocrystalline PV module depending on location and type of integration. The study is of interest for further research to develop industrial applications.

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引用次数: 0
Physicochemical and sensory properties of fermented milk supplemented with sundried African horned melon
Pub Date : 2024-08-13 DOI: 10.1002/appl.202400102
Brenda Micheni, Eddy Owaga, Beatrice Mugendi

African horned melon (AHM) (Cucumis metuliferus), indigenous to Kenya. It contains high polyphenol and antioxidant content, yet remains underutilized in food products. This study sought to increase the utilization of AHM by developing a supplemented milk product and evaluating the effects of sundried AHM powder on the physicochemical and sensory properties of the fermented milk product. The fermented milk was supplemented with three different forms of AHM powder: whole fruit, peel, and seed, at concentrations of 0.5%, 0.7%, and 1% w/v. Physicochemical parameters such as pH, total titratable acidity (TTA), syneresis, texture, and viscosity were measured, alongside sensory acceptability assessments. Statistical analysis demonstrated significant differences (p < 0.05) in physicochemical and sensory properties between the control (did not contain AHM) and supplemented samples, particularly at higher concentrations and extended storage periods. The inclusion of AHM powder markedly influenced the fermented milk's properties, with increased TTA and syneresis in samples with higher melon powder concentrations. TTA ranged between 0.32% and 0.46% among all samples during storage which were comparatively higher than the recommended values for fermented milk products at 0.3%. pH findings range was 4.22 and 4.58. The pH range between 4.2 and 4.6 is recommended by FDA for fermented milk. Syneresis were between 2% and 13%. Texture was between 1.24 and 3.95 N. Viscosity was between 1.67 and 3.87 cP. Sensory scores ranged from 8.00 to 2.67 during storage. Fruit seed powder (FSP1) recorded the lowest amount of pH. Control maintained a higher score in the sensory attributes.

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引用次数: 0
The effect of three types of heat treatment on the hardness and corrosion resistance of Al 2014 alloy
Pub Date : 2024-08-13 DOI: 10.1002/appl.202400134
Ansari Shadab Azhar Nazeer Iqbal, M Abdur Rahman, Hussain H. Naveed

Al 2014 is a high-strength aluminum alloy widely used in the aerospace and automotive industries for its mechanical strength. This research examines the effects of three heat treatment processes—retrogression and re-aging (RRA), T6 standard aging, and a modified RRA with high-temperature pre-aging—on the hardness and corrosion resistance of Al 2014. Polarization studies using potentiodynamic electrochemical methods in a 3.5 wt% sodium chloride solution were conducted to evaluate the corrosion resistance. The results showed that heat treatment, which causes precipitation hardening, shifted the corrosion potential (E) toward a more noble direction. The formation of Al2Cu precipitates is associated with improved corrosion resistance. Additionally, samples treated with the T6 process exhibited a higher corrosion current density compared to untreated Al 2014 alloy samples, indicating superior corrosion resistance. Analysis of corroded surfaces using scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS) showed evidence of general and pitting corrosion, with distinct patterns among the three heat treatment processes. A comparison of the results revealed that the T6 standard aging process provided the best combination of hardness and corrosion resistance. This was likely due to the formation of stable precipitates during aging. The results also indicated that the RRA process showed good performance, suggesting it is a viable alternative when a balance between hardness and toughness is required. The modified RRA with high-temperature pre-aging resulted in lower performance, likely due to overaging, which reduced hardness and corrosion resistance. These findings highlight the significance of heat treatment in improving the corrosion resistance of Al 2014 alloy. This suggests that particular processes can enhance the alloy's durability in corrosive environments, potentially leading to a longer lifespan and reduced maintenance costs. The T6 standard aging process offers the best balance of enhanced hardness and corrosion resistance for Al 2014 alloy, making it ideal for extending lifespan and reducing maintenance costs in corrosive environments. Careful selection of heat treatment is crucial based on specific alloy performance requirements.

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引用次数: 0
Cover Image: Volume 3 Issue 4 封面图片:第 3 卷第 4 期
Pub Date : 2024-08-11 DOI: 10.1002/appl.202470401

Applied Research is a multidisciplinary journal that focuses on bridging fundamental research and practical applications, supporting sustainable problem-solving and global initiatives. The journal covers high-quality research in fields such as Materials, Applied Physics, Chemistry, Applied Biology, Food Science, Engineering, Biomedical Sciences, and Social Sciences. Authors can submit various article types, including Reviews, Tutorials, and Research Articles. The journal aims to highlight innovative research that demonstrates the application of knowledge, methods, instrumentation, and technology into solutions.

应用研究》是一本多学科期刊,重点关注基础研究与实际应用之间的联系,支持可持续的问题解决和全球倡议。该期刊涵盖材料、应用物理、化学、应用生物学、食品科学、工程学、生物医学科学和社会科学等领域的高质量研究。作者可以提交各种类型的文章,包括综述、教程和研究文章。该期刊旨在突出创新研究,展示知识、方法、仪器和技术在解决方案中的应用。
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引用次数: 0
Analysis of the limitations of organic powder for high-temperature reprocessing of printed PLA parts
Pub Date : 2024-08-07 DOI: 10.1002/appl.202400165
Leonardo Santana, João F. F. Machado, Guilherme M. O. Barra, Jorge Lino Alves

Fused filament fabrication (FFF) is the most predominant additive manufacturing technology, not only in the industry but also for many hobbyists. This technology's popularity is because it is inexpensive, user-friendly, and open source. However, compared to other manufacturing processes, like injection molding, FFF products still have some limitations, particularly mechanical properties. Despite this, some post-processing techniques have been developed to improve such properties. One of these techniques involves applying heat treatments (HT). The objective of these HTs is to densify these FFF products and increase the crystallization degree of the semi-crystalline polylactic acid (PLA). This kind of post-processing is claimed to be a viable way to improve mechanical properties. The reprocessing in a powder bed is a type of HT which prevents thermal distortion by using a powder as a mold for the FFF component. The powder should be low cost and have easy access for any user. In this work, this HT was performed in flexural samples with an organic powder (corn flour) and it has improved maximum flexural strength (MFS) and flexural modulus (FM) by 18% and 14%, respectively. The color of parts, before and after HT, was also measured and a slight modification of the response was observed due to the HT. Despite the gains in mechanical properties, it was verified that corn flour produces a considerable amount of smoke during this HT. Thus, it was performed a thermogravimetric analysis (TGA) in three types of powders, namely corn flour, coffee powder, and corn starch. It was concluded that starch is the best one, however considering that all three organic powders release smoke, it is advisable not to use them for HT.

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引用次数: 0
Effect of magnesia additive on the morphology and physico-mechanical properties of kaolinitic clays ceramics
Pub Date : 2024-08-04 DOI: 10.1002/appl.202400053
Abdulhakeem Nurudeen, Ishaya Dagwa, Benjamin Ugheoke, Ibrahim Muhammad, Adiat Arogundade

Nigeria is rich in various minerals, including crude oil and solid minerals. However, despite this abundance, effectively utilizing these resources remains a challenge. Kaolin, also known as white China clay, is a crucial raw material used in industries such as ceramics, paper, paint, plastic, and welding electrodes. Despite its plentiful availability in Nigeria, kaolin has not been adequately exploited. Consequently, Nigeria spends approximately 14.35 million USD annually to import refined kaolin to meet local demand, due to the lack of capacity to process it to the required industrial standards. This study investigates the effect of magnesia (MgO) on the morphology and physico-mechanical properties of kaolinitic clay ceramics using the slip-casting method. Various analytical techniques were employed to examine the kaolin, including X-ray fluorescence (XRF), X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier Transform Infrared Spectroscopy (FTIR), and Scanning Electron Microscopy (SEM). Also, compressive and flexural tests were conducted. The XRF analysis revealed that all samples contained SiO2 (54.41%wt), Al2O3 (34.05%wt), and other trace elements. The main mineral phases identified were quartz, microcline, and orthoclase. Among the samples, 30–200 exhibited the highest compressive strength at 218 MPa, while the highest flexural rigidity was observed in sample 15–200. The results indicated that MgO significantly affected the properties of kaolin, as the control sample had a compressive strength of 59 MPa. The study also found that the quantities of additives should align with stoichiometric requirements. Results showed hypo-stoichiometry in samples 30–600 and 15–400, and hyper-stoichiometry in sample 60–200. XRF, XRD, and FTIR spectra confirmed the elemental and chemical compositions of the samples, while SEM analysis revealed the morphological structure. It was observed that increasing the magnesia content from 10% to 30% led to an increase in pore spaces within the samples. TGA analysis provided insights into the relationship between mass loss and temperature variation in the ceramic samples, While The DTG curves explain the endothermic phase changes over changes in temperature; at 50–150°C, loss of the water phase is complete, at 300–400°C burning of organic matter phase is achieved and at 500–700°C endothermic dihyroxylation phase begins forming armorphous meta-kaolin.

{"title":"Effect of magnesia additive on the morphology and physico-mechanical properties of kaolinitic clays ceramics","authors":"Abdulhakeem Nurudeen,&nbsp;Ishaya Dagwa,&nbsp;Benjamin Ugheoke,&nbsp;Ibrahim Muhammad,&nbsp;Adiat Arogundade","doi":"10.1002/appl.202400053","DOIUrl":"https://doi.org/10.1002/appl.202400053","url":null,"abstract":"<p>Nigeria is rich in various minerals, including crude oil and solid minerals. However, despite this abundance, effectively utilizing these resources remains a challenge. Kaolin, also known as white China clay, is a crucial raw material used in industries such as ceramics, paper, paint, plastic, and welding electrodes. Despite its plentiful availability in Nigeria, kaolin has not been adequately exploited. Consequently, Nigeria spends approximately 14.35 million USD annually to import refined kaolin to meet local demand, due to the lack of capacity to process it to the required industrial standards. This study investigates the effect of magnesia (MgO) on the morphology and physico-mechanical properties of kaolinitic clay ceramics using the slip-casting method. Various analytical techniques were employed to examine the kaolin, including X-ray fluorescence (XRF), X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier Transform Infrared Spectroscopy (FTIR), and Scanning Electron Microscopy (SEM). Also, compressive and flexural tests were conducted. The XRF analysis revealed that all samples contained SiO<sub>2</sub> (54.41%wt), Al<sub>2</sub>O<sub>3</sub> (34.05%wt), and other trace elements. The main mineral phases identified were quartz, microcline, and orthoclase. Among the samples, 30–200 exhibited the highest compressive strength at 218 MPa, while the highest flexural rigidity was observed in sample 15–200. The results indicated that MgO significantly affected the properties of kaolin, as the control sample had a compressive strength of 59 MPa. The study also found that the quantities of additives should align with stoichiometric requirements. Results showed hypo-stoichiometry in samples 30–600 and 15–400, and hyper-stoichiometry in sample 60–200. XRF, XRD, and FTIR spectra confirmed the elemental and chemical compositions of the samples, while SEM analysis revealed the morphological structure. It was observed that increasing the magnesia content from 10% to 30% led to an increase in pore spaces within the samples. TGA analysis provided insights into the relationship between mass loss and temperature variation in the ceramic samples, While The DTG curves explain the endothermic phase changes over changes in temperature; at 50–150°C, loss of the water phase is complete, at 300–400°C burning of organic matter phase is achieved and at 500–700°C endothermic dihyroxylation phase begins forming armorphous meta-kaolin.</p>","PeriodicalId":100109,"journal":{"name":"Applied Research","volume":"3 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/appl.202400053","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142763961","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
期刊
Applied Research
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