Article
Biochemical Research Methods
Audrey Derobertmasure, Benjamin Kably, Junior Justin, Christelle De Sousa Carvalho, Eliane M. Billaud, Pierre Boutouyrie
Summary: Cardiovascular pharmacological countermeasures are needed for long-term space travelers to prevent cardiovascular deconditioning and early vascular aging. Due to the limitations and constraints of the extreme space environment, implementing drug studies is challenging. To address this, a simple sampling method using dried urine spots (DUS) was developed to quantify five antihypertensive drugs in human urine. The method was validated and showed stability of the targeted drugs under various storage conditions. It has been successfully implemented in space test programs conducted in 2022.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
(2023)
Article
Chemistry, Analytical
Katleen Van Uytfanghe, Maria del Mar Ramirez Fernandez, Aurelie De Vos, Sarah M. R. Wille, Christophe Pol Stove
Summary: This study developed a new method for PEth measurements and achieved good comparison results through the collaboration of two laboratories. The research demonstrates that the method has good comparability and reproducibility, allowing for accurate cross-validation between laboratory networks.
Article
Chemistry, Analytical
Ali Azizi, Fereshteh Shahhoseini, Christina S. Bottaro
Summary: An efficient analytical method using a porous sorptive polymer for thin film microextraction (PSPTFME) was developed for the analysis of 8 model drugs from human urine samples with UHPLC-MS/MS. The method showed high accuracy and precision, and demonstrated tolerance for complex biological matrices.
Article
Biochemical Research Methods
Ann Zoller, Kenneth Wehmeyer, Kady Krivos, Michael Karb, Peter Stoffolano, J. F. Nash, Guhan Balan, Lynda Behymer, Molly Seeck, Jose Brum, Yuanshu Zou, Jason Price
Summary: This study developed a UHPLC-MS/HRMS method to quantify PTG and ThPG in human urine after topical application of ZnPT shampoo. The presence of these metabolites in human urine is consistent with findings from earlier studies in multiple animal species, indicating similar metabolism of pyrithione among mammalian species.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
(2021)
Article
Chemistry, Analytical
Milos Dvorak, Richard Marsala, Pavel Kuban
Summary: Analysis of dried urine spots (DUSs) is increasingly used in clinical, toxicological, and forensic chemistry due to the non-invasive collection and easy storage of DUS samples. This study investigated the importance of correct DUS collection and elution, and found that inadequate sampling and processing can significantly affect quantitative DUS analyses. A simple and user-friendly procedure was suggested for DUS collection, employing a micropipette for accurate liquid transfers. Capillary electrophoresis was used to analyze the resulting DUS eluates, showing no significant differences between different user groups and high elution efficiencies.
ANALYTICA CHIMICA ACTA
(2023)
Article
Biochemistry & Molecular Biology
Emilia Marchei, Maria Alias Ferri, Marta Torrens, Magi Farre, Roberta Pacifici, Simona Pichini, Manuela Pellegrini
Summary: The study utilized high-sensitivity GC-MS and UHPLC-HRMS technologies to analyze classic drugs and new psychoactive substances in the urine of heroin addicts under methadone maintenance therapy. Around 80 different psychoactive substances and/or metabolites were identified, with methadone and its metabolites being the most prevalent. This screening for a large number of psychotropic substances could be beneficial in suspected drug-related fatalities or acute intoxications in emergency departments and drug addiction services.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Analytical
Joelle Houriet, Warren S. Vidar, Preston K. Manwill, Daniel A. Todd, Nadja B. Cech
Summary: Data preprocessing is crucial for untargeted mass spectrometry metabolomics analysis, and setting low signal thresholds can provide the most information-rich datasets. However, for qualitative comparisons, setting high thresholds may reduce complexity and computational time required for data processing.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Goksu Ozcelikay, Ahmet Cetinkaya, Esen Bellur Atici, Sibel A. Ozkan
Summary: In this study, an electroanalytical quantification method for sugammadex was developed using molecular imprinting via the electropolymerization technique. The EP-MIP(SUG)/SPAuE sensor exhibited high sensitivity and specificity/selectivity, as demonstrated by its ability to detect sugammadex in biological fluids and differentiate it from similar molecules. The EP-MIP(SUG)/SPAuE sensor showed good analytical performance and validation parameters according to ICH guidelines, making it a promising tool for quantitative analysis of sugammadex in various samples.
ANALYTICAL METHODS
(2023)
Article
Chemistry, Multidisciplinary
David M. Chambers, Kasey C. Edwards, Eduardo Sanchez, Christopher M. Reese, Alai T. Fernandez, Benjamin C. Blount, Victor R. De Jesus
Summary: A novel method was developed to accurately measure unmetabolized volatile organic compounds (VOCs) in urine by adding isotopically labeled internal standard analogues directly to the collection container at the point of collection. It was found that VOCs in urine could be lost both to the container headspace and surface, with surface adsorption loss trending with compound water solubility. Other common urine sample collection and analysis methods were found to bias results, while this new method resulted in errors ranging from -8.0% to 4.8% of spiked urine specimens.
Article
Chemistry, Analytical
Frederic Dewez, Edwin De Pauw, Ron M. A. Heeren, Benjamin Balluff
Summary: The multilabel approach in quantitative mass spectrometry imaging provides more accurate quantitation compared to a single-label approach, particularly when the target compound is unevenly distributed at a wide concentration range in the tissue.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Adam L. Hollerbach, Randolph Norheim, Pearl Kwantwi-Barima, Richard D. Smith, Yehia M. Ibrahim
Summary: Ion mobility spectrometry with structures for lossless ion manipulations (SLIM-IMS) offers unprecedented ion path lengths and resolving powers. The development of the 1 m miniature SLIM module based on multilevel SLIM technology has enabled high resolution IMS measurements over the entire mobility range. Comparisons with drift tube IMS-MS show that miniSLIM achieves higher resolving power and allows for single-pass separation of the entire ion mobility range.
ANALYTICAL CHEMISTRY
(2022)
Article
Mycology
Jessica Schmidt, Viktoria Lindemann, Monica Olsen, Benedikt Cramer, Hans-Ulrich Humpf
Summary: A simple and effective method for HPLC-MS/MS based multi-mycotoxin analysis in human urine samples using DUS sampling strategy was developed, enabling the detection and quantitation of 14 relevant mycotoxins with low detection limits. The method showed excellent stability and sensitivity, making it suitable for human biomonitoring of mycotoxin exposure.
MYCOTOXIN RESEARCH
(2021)
Article
Chemistry, Analytical
Christian Tagwerker, Irfan Baig, Eric J. Brunson, Davan Dutra-Smith, Mary-Jane Carias, Ranulu S. de Zoysa, David J. Smith
Summary: The study presents a novel method for qualitative and quantitative multiplex analysis of drugs and illicit substances in DBS and urine samples, demonstrating its reliability and effectiveness in extended medication reconciliation testing while also detecting drug-drug interactions. Experimental results show that this method is a valuable tool in aiding the detection of medications and drug interactions.
JOURNAL OF ANALYTICAL TOXICOLOGY
(2021)
Review
Chemistry, Analytical
Hruskova Helena, Voracova Ivona, Reminek Roman, Foret Frantisek
Summary: Capillary electrophoresis coupled online with mass detection is a modern tool for analyzing wide ranges of compounds in complex samples, including urine. This technique allows for the separation and identification of various analytes, reducing complexity and providing a more straightforward interpretation of mass spectrometry data. Its potential lies in the ability to analyze different types of analytes in complex biological matrices.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Chemistry, Analytical
Melissa M. Budelier, Caroline E. Franks, Christopher W. Farnsworth, Stephen M. Roper
Summary: The study developed a precursor ion scan method for semi-targeted data acquisition to detect compounds related to fentanyl. It successfully identified multiple fentanyl analogs in laboratory samples, with accuracy ranging from 83% to 100%.
JOURNAL OF ANALYTICAL TOXICOLOGY
(2022)
Article
Oncology
Manu Prasad, Jonathan Zorea, Sankar Jagadeeshan, Avital B. Shnerb, Sooraj Mathukkada, Jebrane Bouaoud, Lucas Michon, Ofra Novoplansky, Mai Badarni, Limor Cohen, Ksenia M. Yegodayev, Sapir Tzadok, Barak Rotblat, Libor Brezina, Andreas Mock, Andy Karabajakian, Jerome Fayette, Idan Cohen, Tomer Cooks, Irit Allon, Orr Dimitstein, Benzion Joshua, Dexin Kong, Elena Voronov, Maurizio Scaltriti, Yaron Carmi, Cristina Conde-Lopez, Jochen Hess, Ina Kurth, Luc G. T. Morris, Pierre Saintigny, Moshe Elkabets
Summary: In head and neck cancer, treatment with MEK1/2 inhibitor delays tumor progression and enhances antitumor immunity of CD8(+) T cells. Sensitizing tumors to immunotherapy during MEK1/2 inhibition can eliminate tumors and induce immune memory. Prolonged treatment with MEK1/2 inhibitor may lead to immunosuppressive tumor microenvironment due to epithelial to mesenchymal transition.
JOURNAL FOR IMMUNOTHERAPY OF CANCER
(2022)
Review
Biochemical Research Methods
Carine R. Nemr, Alexandros A. Sklavounos, Aaron R. Wheeler, Shana O. Kelley
Summary: Bacteria play important roles in synthetic biology, sequencing, and diagnostic testing, but the experimental protocols involving bacteria are often complex and require numerous instruments. Digital microfluidics (DMF) offers a miniaturized platform to simplify the processes of bacterial protocols, from sample preparation to analysis. DMF devices can be used in conjunction with existing research tools or integrated into all-in-one packages, providing versatility and convenience. This perspective discusses the benefits, limitations, and potential future directions of DMF in bacterial studies.
Article
Nanoscience & Nanotechnology
Man Ho, Aaron Au, Robert Flick, Thu V. Vuong, Alexandros A. Sklavounos, Ian Swyer, Christopher M. Yip, Aaron R. Wheeler
Summary: Fouling at liquid-solid interfaces is a severe problem for digital microfluidics (DMF) and can be combatted by including amphiphilic surfactant additives in the droplets. This study evaluated 19 different Pluronic and Tetronic additives to determine their antifouling performance, structural similarities, and mechanism of action. The analysis showed that Pluronic and Tetronic additives with specific characteristics can provide exceptional antifouling performance in DMF. The results and their implications are important progress for the DMF community and can guide the selection of surfactants for manipulating biological matrices.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Xi Chen, Xiaowen Chen, Mohamed Elsayed, Harrison Edwards, Jiayu Liu, Yixin Peng, H. P. Zhang, Shuailong Zhang, Wei Wang, Aaron R. Wheeler
Summary: Researchers have developed an optoelectronic strategy to control the motion of micromotors using programmable light patterns. By illuminating hydrogenated amorphous silicon, local electric field maxima are generated at the edge of the light pattern, attracting micromotors. This method allows for precise control of micromotors in customized paths and through complex microstructures, as well as enabling multiple motion modes and parallel control of multiple micromotors.
Article
Chemistry, Multidisciplinary
Kai-Hung Huang, Nicolas M. Morato, Yunfei Feng, R. Graham Cooks
Summary: Late-stage diversification of drug molecules is facilitated by reaction screening using high-throughput experimentation. In this study, a rapid method for functionalizing bioactive molecules based on accelerated reactions in microdroplets is presented. Using this method, an opioid agonist and an antagonist were diversified and characterized by tandem mass spectrometry after screening over 500 reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Physics, Atomic, Molecular & Chemical
Eric T. Dziekonski, Thomas C. Sams, Lucas J. Szalwinski, L. Edwin Gonzalez, R. Graham Cooks
Summary: Two-dimensional tandem mass spectrometry (2D-MS/MS) is employed to characterize each sample in an array by creating ion populations from complex mixtures using desorption electrospray ionization. Automated high-throughput examination of each sample in the array is achieved through integrated movement of the sample array and automated data acquisition. Position control is accomplished using an Arduino microprocessor, a RAMPS control board, two stepper motors, and a custom MATLAB graphical user interface. Data processing improvements are made to enhance visual discrimination of peaks from the background in local regions of the 2D spectrum.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2023)
Article
Chemistry, Multidisciplinary
R. Graham Cooks, Yunfei Feng, Kai-Hung Huang, Nicolas M. Morato, Lingqi Qiu
Summary: The article argues that mass spectrometry (MS) can be used sequentially for the three key steps in drug discovery: reaction screening, synthesis scale-up, and bioactivity assessment. The chosen ionization method, desorption electrospray ionization (DESI), is both an analytical technique and a procedure for small-scale synthesis. DESI is highly compatible with automation, allowing for high throughput in both synthesis and analysis.
ISRAEL JOURNAL OF CHEMISTRY
(2023)
Article
Biochemical Research Methods
Jiaxi Peng, Calvin Chan, Fei Meng, Yechen Hu, Lingfan Chen, Ge Lin, Shen Zhang, Aaron R. Wheeler
Summary: Single-cell proteomics is an important subfield with potential to reshape our understanding of cell development, differentiation, disease diagnosis, and therapy. This study compared seven popular proteomics programs on three different datasets, finding that MSGF+, MSFragger, and Proteome Discoverer are more efficient for maximizing protein identifications. MaxQuant is better for low-abundance proteins, MSFragger is superior in elucidating peptide modifications, and Mascot and X!Tandem are better for analyzing long peptides. The study also explored improvements in single-cell proteomics data analysis. Overall, this comparative study provides insight for both experts and beginners in single-cell proteomics.
JOURNAL OF PROTEOME RESEARCH
(2023)
Review
Chemistry, Analytical
Jyotirmoy Ghosh, R. Graham Cooks
Summary: Mass spectrometry (MS), a century-old analytical technique, is now being used as a preparative method. Electrospray deposition (ESD) of charged droplets generated by electrospray ionization (ESI) is an efficient way to form nanomaterials, including catalysts. By using mass-analyzed ions and performing ion soft landing (SL), higher chemical specificity in surface modification can be achieved, although this vacuum-based method is slow due to low ion currents. MS-based synthesis by ESD or SL provides advantages over traditional approaches, allowing control over material properties and surface patterning without the need for additives or reducing agents.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Nicolas M. Morato, R. Graham Cooks
Summary: Mass spectrometry (MS) is widely used in the chemical sciences for various applications such as monitoring reaction products, identifying disease biomarkers, and measuring thermodynamic parameters. Electrospray ionization (ESI) is a commonly used method to ionize polar compounds from solution. Desorption electrospray ionization (DESI) is a technique that directly generates ions from objects in the ambient environment. The simplicity and wide applicability of DESI revolutionized the analysis of complex materials for their organic components, particularly for in situ applications.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Lingqi Qiu, Mousumi Saha, Stefan Kraft, Eric T. Dziekonski, Christopher J. Welch, Yumin Dai, Andreas Kaerner, R. Graham Cooks
Summary: This study employs a rapid tandem mass-spectrometry method for determining water content in complex organic solutions, with a focus on trace-water analysis. Water is captured using a charge-labeled molecular probe, which selectively binds to the strongly electrophilic aldehyde site. This method allows for quantitative determinations over a wide concentration range with high accuracy and short analysis times.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Physics, Atomic, Molecular & Chemical
Eric T. Dziekonski, Gregory S. Eakins, R. Graham Cooks
Summary: In this study, an Arduino Uno microcontroller is used to control several electrical/electromechanical switches and the timing of all experimental subsystems in response to the instrument trigger output and a user selected operating mode. By calibrating and measuring the RF amplitude control signal in 1D mode, it is possible to calculate the applied RF amplitude in 2D mode, thereby allowing the user to determine relevant quadrupole operating parameters for a particular sample.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2023)
Article
Biochemical Research Methods
Calvin Chan, Jiaxi Peng, Vigneshwar Rajesh, Erica Y. Scott, Alexandros A. Sklavounos, Maryam Faiz, Aaron R. Wheeler
Summary: The proteome profiles of small tissue samples have great clinical potential, but conventional proteomic methods are not suitable for analyzing these samples. Researchers have developed an automated digital microfluidic workflow using a photocleavable surfactant, which enables the efficient analysis of small tissue samples and identifies a large number of proteins.
JOURNAL OF PROTEOME RESEARCH
(2023)
Article
Chemistry, Analytical
Sangeeta Pandey, Yanyang Hu, Peter L. Anderson, Jennifer J. Kiser, R. Graham Cooks
Summary: We validate the concept of point-of-care assessment of long-term alcohol consumption by measuring phosphatidylethanol in blood/dried blood spots using nano-electrospray ionization and MS/MS with a miniature mass spectrometer. The levels of "abstinence", "moderate", and "chronic" consumption can be rapidly distinguished for both sample types, and quantitative analysis is achieved with blood samples (LoQ-100 ng mL(-1)).
Article
Biochemical Research Methods
Man Ho, N. Sathishkumar, Alexandros A. Sklavounos, Jianxian Sun, Ivy Yang, Kevin P. Nichols, Aaron R. Wheeler
Summary: This study developed a new microfluidic system that combines digital microfluidics (DMF) with distance-based detection (DBD) for LAMP-based point-of-care nucleic acid amplification tests (POC NAATs). The system allows for direct signal readout without the need for dedicated optical detection apparatus. The method was validated for SARS-CoV-2 detection in saliva and showed promising results. The combination of DMF with DBD holds great potential for implementing various POC NAATs or other applications in the future.