A parallel solution combustion synthesis technique was developed for combinatorial materials studies. The vigorous combustion reactions were successfully limited in the microreactors by using a substrate-net-mask microreactor system and the lowest adoptable furnace temperature. Using this technique, a luminescent materials library of Y3Al5O12/Tb(chi) was synthesized with the aid of an ink-jet delivery system. Structure and luminescence characterizations were implemented using X-ray diffraction and UV/X-ray spectroscopies, respectively. The results show that this technique is reliable and applicable to combinatorial study of powder materials with high synthesis temperature.
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http://dx.doi.org/10.1021/cc050068g | DOI Listing |
J Proteome Res
January 2025
Applied Bioinformatics, Department of Computer Science, University of Tübingen, Tübingen 72074, Germany.
Liquid chromatography-mass spectrometry (LC-MS) is an indispensable analytical technique in proteomics, metabolomics, and other life sciences. While OpenMS provides advanced open-source software for MS data analysis, its complexity can be challenging for nonexperts. To address this, we have developed OpenMS WebApps, a framework for creating user-friendly MS web applications based on the Streamlit Python package.
View Article and Find Full Text PDFTrials
January 2025
Department of Electrical and Computer Engineering, Princeton University, Princeton, 08544, NJ, USA.
Background: Phase-3 clinical trials provide the highest level of evidence on drug safety and effectiveness needed for market approval by implementing large randomized controlled trials (RCTs). However, 30-40% of these trials fail mainly because such studies have inadequate sample sizes, stemming from the inability to obtain accurate initial estimates of average treatment effect parameters.
Methods: To remove this obstacle from the drug development cycle, we present a new algorithm called Trend-Adaptive Design with a Synthetic-Intervention-Based Estimator (TAD-SIE) that powers a parallel-group trial, a standard RCT design, by leveraging a state-of-the-art hypothesis testing strategy and a novel trend-adaptive design (TAD).
J Chem Theory Comput
January 2025
Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan.
Solvent environment may significantly affect the equilibria involving flexible solute species, such as proteins and polymers. In the present work, a computation scheme is formulated for the change in the excess chemical potential of a flexible solute molecule upon variation of the solvent condition. The formulation adopts the scheme of error minimization in parallel to the method of Bennett acceptance ratio, and an exact expression is presented that provides the change in the excess chemical potential from solvation free energies computed in two solvent conditions of interest.
View Article and Find Full Text PDFAnal Chem
January 2025
Chemistry Department, Indiana University, Bloomington, Indiana 47405, United States.
Charge detection mass spectrometry (CD-MS) is an emerging single-particle technique where both the / and charge are measured individually to determine each ion's mass. It is particularly well-suited for analyzing high mass and heterogeneous samples. With conventional MS, the loss of charge state resolution with high mass samples has hindered the direct coupling of MS to separation techniques like size exclusion chromatography (SEC) and forced the use of lower resolution detectors.
View Article and Find Full Text PDFWe present the Fourier coupled modal method (FCMM) as a solution for large-scale photonic structure analysis, emphasizing its inherent parallelism, facilitated by spatial partitioning and Fourier modal field computation. The parallelism of the FCMM is achieved by integrating the coupled mode theory (CMT) within the Fourier modal method (FMM). The proposed numerical framework of the FCMM is detailed and validated through a comparative study with the conventional FMM.
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