Article
Multidisciplinary Sciences
Hiroyuki Kawagoe, Jun Ando, Miwako Asanuma, Kosuke Dodo, Tetsuya Miyano, Hiroshi Ueda, Mikiko Sodeoka, Katsumasa Fujita
Summary: A high-throughput Raman screening system has been developed, allowing for simultaneous analysis of multiple samples and high-speed chemical mapping.
SCIENTIFIC REPORTS
(2021)
Article
Pharmacology & Pharmacy
Manali Banerjee, Blair Brettmann
Summary: Indomethacin (IM) is a small molecule active pharmaceutical ingredient with polymorphism, where the gamma-form is the most stable, and the alpha-form has higher solubility. This study showed that the metastable alpha-IM can be stabilized within cellulose nanocrystal aerogel scaffolds without phase transformation, even in the presence of external stimuli. This approach has important implications in producing and stabilizing metastable drug forms, potentially applicable to other drugs as well.
Article
Medicine, Research & Experimental
Anas Aljabbari, Shinji Kihara, Thomas Rades, Ben J. Boyd, Karlis Berzins
Summary: The adsorption of gut relevant biomolecules onto particles after oral administration of solid oral dosage forms is expected to form a gastrointestinal corona, which could influence solution-mediated solid-state transformations. This study used low-frequency Raman spectroscopy to investigate the in situ solid-state phase transformations under biorelevant conditions and the presence of biomolecules. The results showed a change in the solid-state transformation pathway from amorphous to crystalline drug and the role of biomolecules in influencing these transformations.
MOLECULAR PHARMACEUTICS
(2023)
Article
Spectroscopy
Li Xu, Yin Li, Peixin Jing, Guohao Xu, Qi Zhou, Yingxiang Cai, Xiaohua Deng
Summary: Co-crystallization is an effective strategy to improve drug properties, but the thermodynamic backgrounds, particularly lattice vibrations, are not fully understood. In this study, terahertz spectroscopy was used to characterize indomethacin cocrystals formed with nicotinamide and saccharin. DFT calculations with constrained unit cell showed better agreement with experimental results, and the thermodynamic contributions from lattice vibrations to cocrystal formations were evaluated, revealing the importance of vibrational energy in the formation process.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemical Research Methods
Seung-Jin Lee, Kwan Hee Lee, Young-Wan Choi, Jun Ki Kim, Woo June Choi
Summary: This paper presents a high throughput Raman screening system that utilizes a fiber-optic switch and a Raman probe array to rapidly detect Raman scattering of multiple samples in an array within a short time with decent sensitivity. The system is validated by comparing Raman spectra obtained from vitamin C tablets with those from a commercial Raman microscope and measuring the detection sensitivity with SERS substrates of different concentrations. The feasibility of high throughput screening is tested with a SERS chip array.
Article
Chemistry, Multidisciplinary
Matteo Guidetti, Rolf Hilfiker, Martin Kuentz, Annette Bauer-Brandl, Fritz Blatter
Summary: This study proposes a combined computational-experimental high-throughput approach to accelerate and improve the efficiency of pharmaceutical cocrystal screening. Thirteen new posaconazole cocrystals were successfully synthesized and characterized. The comparison of prediction performance suggests the potential use of MC and COSMOquick as virtual tools to enhance cocrystal screening.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Medicine, Research & Experimental
Jaana Koskela, Joshua J. Sutton, Tiina Lipiainen, Keith C. Gordon, Clare J. Strachan, Sara J. Fraser-Miller
Summary: Slurry studies are important for thorough screening of drug compounds. This study investigated the use of low-frequency Raman spectroscopy for in situ monitoring of crystallization of an amorphous pharmaceutical in slurries, and compared the results with mid-frequency Raman spectroscopy.
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Analytical
Baomei Zhou, Cheng Qu, Shanshan Du, Wanjun Gao, Yu Zhang, Yan Ding, Hongyan Wang, Ruyan Hou, Mengke Su, Honglin Liu
Summary: In this study, a microplate-SERS reader based on three-dimensional liquid interfacial arrays (LIAs) was developed for high-throughput and semi-automatic assays. By adjusting the hydrophilicity of the container, LIAs in oil-in-water state, water-in-oil state, and two-dimensional plane state were formed. The optimized reader enables fast detection of 12 samples with good signal reproducibility.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Matthew Bain, Jose L. Godinez Castellanos, Stephen E. Bradforth
Summary: High-repetition-rate lasers have the potential to revolutionize ultrafast spectroscopy by enabling routine analysis for machine learning models in the design of photochemical syntheses. In this study, we combine innovations in line scan cameras and micro-electro-mechanical grating modulators with high-pressure liquid chromatography pumps to develop a transient absorption spectrometer that can characterize photoreactions in minutes. Additionally, we demonstrate the utility of this technique in exploring the effects of conformational modification on excited-state processes.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Jupally Prashanth, Artem O. Surov, Ksenia V. Drozd, German L. Perlovich, Sridhar Balasubramanian
Summary: Nilutamide is used in the treatment of prostate cancer. It was found that cocrystallization of nilutamide with adenine and orotic acid monohydrate resulted in the formation of four novel solid forms. The crystal structures were determined by X-ray diffraction, revealing the presence of multiple symmetry-independent molecules in two of the forms. The [Nil + Adn] cocrystal showed higher solubility compared to pure Nil.
Article
Chemistry, Multidisciplinary
Jay Makadia, Shadrack J. Madu, Randolph Arroo, Colin C. Seaton, Mingzhong Li
Summary: The study found that ART(2)-ACA cocrystals have higher solubility and a faster dissolution rate compared to the parent drug artemisinin.
Article
Chemistry, Analytical
Elliot J. Medcalf, Maximilian Gantz, Tomasz S. Kaminski, Florian Hollfelder
Summary: Droplet microfluidics is valuable for high throughput screening, but absorbance-activated droplet sorting is slower than fluorescence-activated droplet sorting. In this study, the sorting speed of absorbance-activated droplet sorting is increased through the use of refractive index matching oil, a sorting algorithm, and a chip design, achieving better sensitivity and matching the speed of fluorescence-activated sorting devices.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Physical
Kanji Hasegawa, Satoru Goto, Chihiro Tsunoda, Chihiro Kuroda, Yuta Okumura, Ryosuke Hiroshige, Ayako Wada-Hirai, Shota Shimizu, Hideshi Yokoyama, Tomohiro Tsuchida
Summary: This article discusses the use of mathematical models and linear algebra to understand the crystalline structures and interconversion pathways of drug complexes with beta-cyclodextrin. Through experimental analysis and SVD analysis, the presence of different polymorphs, interconversion pathways, and distinctions between different forms were identified. However, when processing the data, only six or seven independent factors could be revealed, and not all entities were fully represented.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Multidisciplinary Sciences
Gabrielle R. Budziszewski, M. Elizabeth Snell, Tiffany R. Wright, Miranda L. Lynch, Sarah E. J. Bowman
Summary: X-ray crystallography is commonly used to study macromolecular structures, but the process of crystallizing a protein for analysis is difficult. The National High-Throughput Crystallization (HTX) Center has developed reproducible methods for crystal growth, including an automated system to test a wide range of crystallization parameters. Imaging techniques are used to monitor the growth of crystals over a 6-week period and an artificial intelligence algorithm is used to identify valuable crystals. The implementation of this system streamlines the analysis of crystal growth images and increases the chances of successful crystallization.
JOVE-JOURNAL OF VISUALIZED EXPERIMENTS
(2023)
Article
Chemistry, Analytical
Zhongyue Guo, Yeran Bai, Meng Zhang, Lu Lan, Ji-Xin Cheng
Summary: Antimicrobial resistance poses a major threat to global health and economics, necessitating rapid AST methods. We introduce a rapid AST method based on wide-field mid-infrared photothermal imaging, capable of metabolic imaging for hundreds of bacteria at single-cell resolution within seconds. This method enables probing of perturbed microbial protein synthesis within 1 hour after antibiotic treatment in E. coli cells, providing insights into antibiotic susceptibility.
ANALYTICAL CHEMISTRY
(2023)
Article
Pharmacology & Pharmacy
Greta Camilla Magnano, Marika Quadri, Elisabetta Palazzo, Roberta Lotti, Francesca Loschi, Stefano Dall'Acqua, Michela Abrami, Francesca Larese Filon, Alessandra Marconi, Dritan Hasa
Summary: This study aimed to investigate the loading of sildenafil citrate in three commercial transdermal vehicles using 3D full-thickness skin equivalent and compare the results with permeability experiments using porcine skin. The results showed that the results obtained using the 3D skin equivalent were comparable to those obtained using porcine skin, suggesting that the 3D skin model can be a valid alternative for ex-vivo skin absorption experiments.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2024)
Article
Pharmacology & Pharmacy
James W. Mckeage, Andrew Z. H. Tan, Andrew J. Taberner
Summary: Needle-free jet injection is a promising alternative drug delivery technique that offers rapid, non-invasive, and large-volume injections. The study presents a prototype multi-orifice nozzle and a computational fluid dynamic model to demonstrate the feasibility and effectiveness of this technology.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2024)