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21.
Yilin Yang Siddarth K. Achar John R. Kitchin 《American Institute of Chemical Engineers》2022,68(6):e17653
The degree of rate control (DRC) quantitatively identifies the kinetically relevant (sometimes known as rate-limiting) steps of a complex reaction network. This concept relies on derivatives which are commonly implemented numerically, for example, with finite differences (FDs). Numerical derivatives are tedious to implement, and can be problematic, and unstable or unreliable. In this study, we demonstrate the use of automatic differentiation (AD) in the evaluation of the DRC. AD libraries are increasingly available through modern machine learning frameworks. Compared with the FDs, AD provides solutions with higher accuracy with lower computational cost. We demonstrate applications in steady-state and transient kinetics. Furthermore, we illustrate a hybrid local-global sensitivity analysis method, the distributed evaluation of local sensitivity analysis, to assess the importance of kinetic parameters over an uncertain space. This method also benefits from AD to obtain high-quality results efficiently. 相似文献
22.
Maria A. Ospina Monica Pizarro Thierry Tran Julien Ricci John Belalcazar Jorge L. Luna Luis F. Londoño Sandra Salazar Hernan Ceballos Dominique Dufour Luis A. Becerra Lopez-Lavalle 《International Journal of Food Science & Technology》2021,56(3):1343-1353
The objective of this study was to characterise the nutritional potential of leaves and identify a diversity centre with low cyanide and high nutrient content among 178 Latin American cassava genotypes. This field-based collection represents the seven diversity centres, held at The International Center for Tropical Agriculture (CIAT Palmira, Colombia) by the Cassava Program. The cyanide, all-trans-β-carotene and lutein concentrations in cassava leaves ranged from 346 to 7484 ppm dry basis (db), from 174–547 μg g−1 db and 15–181 μg g−1 db, respectively. Cassava leaves also showed significant levels of essential amino acids leucine, lysine, phenylalanine, valine and threonine, and average total protein content of 26.24 g 100 g−1 db. Among seven diversity centres, South American rainforest group showed low cyanide and high carotene content in leaves. In addition, VEN77 and PAN51 genotypes stood out for having low cyanide in leaves and roots and high carotene in leaves. This genetic diversity can be used to select high potential progenitors for breeding purposes. 相似文献
23.
Junyu Chen Yuze Li Yuming Jiang Liucheng Mao Mi Lai Lixia Jiang Huihui Liu Zongxiu Nie 《Advanced functional materials》2021,31(52):2106743
Cancer remains an intractable medical problem. Rapid diagnosis and identification of cancer are critical to differentiate it from nonmalignant diseases. High-throughput biofluid metabolic analysis has potential for cancer diagnosis. Nevertheless, the present metabolite analysis method does not meet the demand for high-throughput screening of diseases. Herein, a high-throughput, cost-effective, and noninvasive urine metabolic profiling method based on TiO2/MXene-assisted laser desorption/ionization mass spectrometry (LDI-MS) is presented for the efficient screening of bladder cancer (BC) and nonmalignant urinary disease. Combined with machine learning, TiO2/MXene-assisted LDI-MS enables high diagnostic accuracy (96.8%) for the classification of patient groups (including 47 BC and 46 ureteral calculus (UC) patients) from healthy controls (113 cases). In addition, BC patients can also be identified from noncancerous UC individuals with an accuracy of 88.3% in the independent test cohort. Furthermore, metabolite variations between BC and UC individuals are investigated based on relative quantification, and related pathways are also discussed. These results suggest that this method, based on urine metabolic patterns, provides a potential tool for rapidly distinguishing urinary diseases and it may pave the way for precision medicine. 相似文献
24.
Qiang Liu Xinyu Mao Xiaoying Li Penghui Chen Xin Liu Ziyu Liu Danyang Zhu Haohong Chen Tengfei Xie Jiang Li 《Journal of the American Ceramic Society》2021,104(10):4927-4931
0.5 at.% Cr:ZnGa2O4 precursor was synthesized by the co-precipitation method with nitrates as raw materials, using ammonium carbonate as the precipitant. Low-agglomerated Cr:ZnGa2O4 powders with an average particle size of 43 nm were obtained by calcining the precursor at 900℃ for 4 h. Using the powders as starting materials, 0.5 at.% Cr:ZnGa2O4 ceramics with an average grain size of about 515 nm were prepared by presintering at 1150℃ for 5 h in air and HIP post-treatment at 1100℃ for 3 h under 200 MPa Ar. The in-line transmittance of 0.5 at.% Cr:ZnGa2O4 ceramics with a thickness of 1.3 mm reaches 59.5% at the wavelength of 700 nm. The Cr:ZnGa2O4 ceramics can be effectively excited by visible light and produce persistent luminescence at 700 nm. For Cr:ZnGa2O4 transparent ceramics, the brightness of afterglow was larger than 0.32 mcd/m2 after 30 min, which is far superior to that of Cr:ZnGa2O4 persistent luminescence powders. 相似文献
25.
In this research, the three‐dimensional structural and colorimetric modeling of three‐dimensional woven fabrics was conducted for accurate color predictions. One‐hundred forty single‐ and double‐layered woven samples in a wide range of colors were produced. With the consideration of their three‐dimensional structural parameters, three‐dimensional color prediction models, K/S‐, R‐, and L*a*b*‐based models, were developed through the optimization of previous two‐dimensional models which have been reported to be the three most accurate models for single‐layered woven structures. The accuracy of the new three‐dimensional models was evaluated by calculating the color differences ΔL*, ΔC*, Δh°, and ΔECMC(2:1) between the measured and the predicted colors of the samples, and then the error values were compared to those of the two‐dimensional models. As a result, there has been an overall improvement in color predictions of all models with a decrease in ΔECMC(2:1) from 10.30 to 5.25 units on average after the three‐dimensional modeling. 相似文献
26.
Tao Li Zehui Du Nobumichi Tamura Mao Ye Saikumar Inguva Wei Lu Xierong Zeng Shanming Ke Haitao Huang 《Journal of the European Ceramic Society》2018,38(4):1488-1497
(1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3 ((1-x)PZN-xPT in short) is one of the most important piezoelectric materials. In this work, we extensively investigated (1-x)PZN-xPT (x = 0.07–0.11) ferroelectric single crystals using in-situ synchrotron μXRD, complemented by TEM and PFM, to correlate microstructures with phase transitions. The results reveal that (i) at 25 °C, the equilibrium state of (1-x)PZN-xPT is a metastable orthorhombic phase for x = 0.07 and 0.08, while it shows coexistence of orthorhombic and tetragonal phases for x = 0.09 and x = 0.11, with all ferroelectric phases accompanied by ferroelastic domains; (ii) upon heating, the phase transformation in x = 0.07 is Orthorhombic → Monoclinic → Tetragonal → Cubic. The coexistence of ferroelectric tetragonal and paraelectric cubic phases was in-situ observed in x = 0.08 above Curie temperature (TC), and (iii) phase transition can be explained by the evolution of the ferroelectric and ferroelastic domains. These results disclose that (1-x)PZN-xPT are in an unstable regime, which is possible factor for its anomalous dielectric response and high piezoelectric coefficient. 相似文献
27.
28.
Wang Qibin Zhao Bo Ma Hongbo Chang Jiantao Mao Gang 《Journal of Mechanical Science and Technology》2019,33(6):2561-2571
Journal of Mechanical Science and Technology - Real-time monitoring and rapid evaluation of bearing operating conditions, especially for the reliability evaluation and remaining useful life (RUL)... 相似文献
29.
30.
Xueli Du Yuelong Wang Rongna Shi Zhiyong Mao Zhihao Yuan 《Journal of the European Ceramic Society》2018,38(10):3512-3517
The PbClxS1-x and Pb1-xBixS (x? =?0–0.05) bulks were fabricated with a facile method of hydrothermal synthesis and microwave sintering, and the effect of anionic and cationic donors on the thermoelectric performance of PbS was investigated. Although Cl? and Bi3+ both effectively improved the thermoelectric properties of n-type PbS, more excellent thermoelectric performance was obtained from Cl? doped samples because of higher electrical property and lower thermal conductivity at higher temperature (T? >?600?K). The thermoelectric figure of merit (ZT) reaches 1.04 for PbCl0.015S0.985 at 800?K and increases with temperature increasing without sign of saturation, which is probably the highest value ever reported for single-phase polycrystalline n-type PbS. The results also indicate that the hydrothermal synthesis and microwave sintering can realize anion doping as well as cation doping for n-type PbS at low cost, and PbS should be a robust alternative for PbTe thermoelectric materials. 相似文献