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Toluene methylation using methanol offers a high potential molecular engineering process to produce -xylene (PX) based on shape-selective catalysts. To further improve the process economics, a novel short process was proposed by reducing the high-energy consumption separation of xylene isomers in existing processes since the PX selectivity of the xylene isomers can be enhanced more than the industrial product quality of 99.7%. The PX selectivity intensification was achieved as a result of decreased contact time by considering factors such as the feed ratio, diluents, temperature, and pressure in a toluene methylation reactor. This proposed short process indicated that the reactor effluent could be purified only through the two conventional distillation towers by removing the methanol recovery and separation of xylene isomers. The raw material utilization, energy consumption, and economic data were also analyzed for the six contrastive cases. The short process using catalyst Si-Mg-P-La/ZSM-5 exhibited the highest effective utilization rates of 96.27 and 95.50% for toluene and methanol, respectively. The short process also showed a good economic value in terms of capital investment and operating costs due to the multistage reactor without benzene byproducts. Thus, the obtained total annual cost (TAC) value of 13 848.1 k$·year was 68.9 and 87.9% of the two existing processes.
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http://dx.doi.org/10.1021/acsomega.1c05817 | DOI Listing |
J Agric Food Chem
September 2025
Department of Chemistry and Chemical Engineering, Engineering Research Center of Forestry Biomass Materials and Bioenergy (Ministry of Education), National Forest and Grass Administration Woody Spices (East China) Engineering Technology Research Center, Beijing Forestry University, Beijing 100083, C
This study develops a catalytic system using pyruvic acid (PYA) and Fe to efficiently coproduce xylo-oligosaccharides (XOS) and (manno-oligosaccharides) MOS from food material ( Lam. fruit.) and its waste peel, respectively.
View Article and Find Full Text PDFIEEE J Biomed Health Inform
September 2025
Short peptides and their structural modifications have demonstrated significant potential in the field of therapeutic drug development. During the research and development process, peptide-protein interaction plays a crucial role for screening highly effective peptides. Although traditional experimental methods can identity peptide-protein interactions, their time-consuming and resource-intensive nature make researchers develop various of computational alternatives.
View Article and Find Full Text PDFJ Anim Sci
September 2025
Centre for Veterinary Systems Transformation and Sustainability, Clinical Department for Farm Animals and Food System Science, University of Veterinary Medicine Vienna, Vienna 1210, Austria.
It is helpful for diagnostic purposes to improve our current knowledge of gut development and serum biochemistry in young piglets. This study investigated serum biochemistry, and gut site-specific patterns of short-chain fatty acids (SCFA) and expression of genes related to barrier function, innate immune response, antioxidative status and sensing of fatty and bile acids in suckling and newly weaned piglets. The experiment consisted of two replicate batches with 10 litters each.
View Article and Find Full Text PDFJ Labelled Comp Radiopharm
September 2025
National Key Laboratory for the Development and Utilization of Forest Food Resources, Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources, Nanjing Forestry University, Nanjing, Jiangsu, China.
Carbon-11 (C)-labeled radiotracers are invaluable tools in positron emission tomography (PET), enabling real-time visualization of biochemical processes with high sensitivity and specificity. Among the various C synthons, cyclotron-produced [C]CO is a fundamental precursor, though its direct incorporation into complex molecules has traditionally been limited by its low reactivity, gaseous form, and short half-life. Recent advances in [C]CO fixation chemistry through both nonphotocatalytic and photocatalytic methods have significantly expanded its utility in the synthesis of structurally diverse compounds, including carboxylic acids, carbonates, carbamates, amides, and ureas.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, 5735 S. Ellis Ave., SCL 123, Chicago, Illinois 60637, USA.
Molecular dynamics simulations are essential for studying complex molecular systems, but their high computational cost limits scalability. Coarse-grained (CG) models reduce this cost by simplifying the system, yet traditional approaches often fail to maintain dynamic consistency, compromising their reliability in kinetics-driven processes. Here, we introduce an adversarial training framework that aligns CG trajectory ensembles with all-atom (AA) reference dynamics, ensuring both thermodynamic and kinetic fidelity.
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