In this paper we study the effect of the chromophores' beta tensor active components on the diffraction efficiency of a high T(g) photorefractive polymer. In particular, we study the two simplest structures with nonvanishing dipole moment, the one-dimension push-pull systems, and the Lambda-shaped chromophores. We have developed a model that relate the diffraction efficiency expression with experimental conditions and microscopic properties of the molecules used. Using this model we determine the optimum experimental conditions for both kinds of chromophores and the criteria for the design of chromophores with improved microscopic properties. The model was also used to evaluate the diffraction efficiency of the chromophore Disperse Red 1 (DR1) with a good agreement with experimental data present in bibliography, and of other chromophores selected with the criteria derived from the model, using quantum mechanical calculations to obtain the microscopic properties. Using the designed chromophores diffraction efficiencies more than one order of magnitude higher than that calculated for DR1 with the experimental conditions has been obtained in simulations. These chromophores also exhibit a low dependency of eta on the electric field polarization in contrast to the DR1 or the low T(g) photoreactive materials.
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http://dx.doi.org/10.1063/1.1803543 | DOI Listing |
Langmuir
January 2025
State Key Laboratory of Water Resources Engineering and Management, Wuhan University, Wuhan 430072, China.
Mineral precipitation is ubiquitous in natural and engineered environments, such as carbon mineralization, contaminant remediation, and oil recovery in unconventional reservoirs. The precipitation process continuously alters the medium permeability, thereby influencing fluid transport and subsequent reaction kinetics. The diversity of preferential precipitation zones controls flow and transport efficiency as well as the capacity of mineral sequestration and immobilization.
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January 2025
Key Laboratory for Information System of Mountainous Area and Protection of Ecological Environment of Guizhou Province, Guizhou Normal University, Guian, 550025, China.
Removal of accumulated dyes from the environment water bodies is essential to prevent further harm to humans. The development and design of new alternative nanoadsorbents that can conveniently, quickly, and efficiently improve the adsorption and removal efficiency of dyes from wastewater remains a huge challenge. An amorphous TiO with a magnetic core-shell-shell structure (FeO@PDA@a-TiO, denoted as FPaT) was constructed through a series of steps.
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January 2025
Energy Storage & Distributed Resources Division, Lawrence Berkeley National Laboratory, Berkeley, California, 94720, USA.
Further improvements to lithium-ion and emerging battery technologies can be enabled by an improved understanding of the chemistry and working mechanisms of interphases that form at electrochemically active battery interfaces. However, it is difficult to collect and interpret spectra of interphases for several reasons, including the presence of a variety of compounds. To address this challenge, we herein present a vibrational spectroscopy and X-ray diffraction data library of ten compounds that have been identified as interphase constituents in lithium-ion or emerging battery chemistries.
View Article and Find Full Text PDFPharm Res
January 2025
Synthetic Molecule Pharmaceutical Sciences, Genentech, Inc., 1 DNA Way, South San Francisco, CA, 94080, USA.
Purpose: The purpose of this study is to present a correlative microscopy-tomography approach in conjunction with machine learning-based image segmentation techniques, with the goal of enabling quantitative structural and compositional elucidation of real-world pharmaceutical tablets.
Methods: Specifically, the approach involves three sequential steps: 1) user-oriented tablet constituent identification and characterization using correlative mosaic field-of-view SEM and energy dispersive X-ray spectroscopy techniques, 2) phase contrast synchrotron X-ray micro-computed tomography (SyncCT) characterization of a large, representative volume of the tablet, and 3) constituent segmentation and quantification of the imaging data through user-guided, iterative supervised machine learning and deep learning.
Results: This approach was implemented on a real-world tablet containing 15% API and multiple common excipients.
Int J Biol Macromol
January 2025
Department of Chemistry, Career Point University, Hamirpur Campus, H.P., India; CNST, Career Point University, Hamirpur Campus, H.P., India. Electronic address:
In our study, we have tried to enhance the biological qualities of nickel oxide nanoparticles and nanocomposites which were prepared using the extract of Aegle marmelos tree leaves and chitosan biopolymer. For in-depth study of the fabricated samples, numerous physiochemical approaches were utilized. The analysis used consists of field emission scanning electron microscopy with energy dispersive X-ray analysis and photoluminescence, X-ray diffraction, UV-visible spectroscopy, and Fourier transform infrared spectroscopy.
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