“…In general, the exact evaluation of such functions (as is assumed in the standard optimization and control theory) is practically impossible. …”
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“…The use of hemolytically active cellular intermediates to examine the reactions occurring with C3b and factors B and D has allowed extension of the one-hit theory to this molecular sequence, development of effective molecule titrations, recognition of the analogies to the functional characteristics of the classical C3 convertase, and discrimination of the probable mechanism of terminal complement activation from reactive lysis.…”
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“…Specifically, (i) genetic forms, such as adult dominant polycystic kidney disease (ADPKD), and (ii) acquired cystic kidney disease (ACKD) are probably the most frequent forms of cystic diseases. …”
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“…No apparent differentiating gene functional classification characteristics were identified for the unrepresented proteins. …”
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“…We found that measurement error, as we defined it, was inconsistent over time and across cognitive functioning levels, violating the theory underlying reliability and other psychometric characteristics, and key regression assumptions.…”
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“…BACKGROUND: Endometriosis is a common benign gynecological disease characterized by growing-functioning endometrial tissue outside the uterus. Extra-pelvic endometriosis, which accounts for approximately 12% of endometriosis, is more challenging to diagnose because of its distance from the pelvic organs. …”
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“…Following this approach, three AIE-active compounds have been developed and are found to show unique ML characteristics. Furthermore, the results of single crystal X-ray analysis and density functional theory (DFT) calculations suggest that the ML performance would probably be further enhanced by creating molecules with larger dipolar moments and enhanced AIE properties.…”
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“…Theoretical calculations using the density functional theory (DFT) were used to validate the experimental data and determine the most stable conformation of the synthesized compounds. …”
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“…[Image: see text] In the search for more sustainable alternatives to the chemical reagents currently used in froth flotation, the present work offers further insights into the behavior of functionalized cellulose nanocrystals as mineral hydrophobization agents. …”
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“…The results unveil both strain-dependent and -independent characteristics of the communication pathways in gp120. …”
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“…[Image: see text] Based on the first-principles density functional theory, Janus WXY (X ≠ Y = S, Se, and Te) trilayer homostructures for different stacking patterns are studied in this work to analyze their appropriateness in fabricating photovoltaic (PV) devices. …”
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“…Techniques for using functional tests to determine joint centres and axes of rotation are starting to be used successfully. …”
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“…In this study, we performed state-of-the-art density functional theory calculations to unravel the photo-uncaging mechanism in its entirety, and we compared the probabilities of all plausible pathways. …”
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“…In addition, regarding the characterization of local reactivity descriptors, the maximum values of the Fukui and Parr functions indicate that the most probable location for a nucleophilic attack is either the hydroxyl oxygen located in the ethanolamide closed ring conformers or the carbonyl oxygen present in the open ring conformers. …”
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“…This work presents the interface chemistry of TMDs (MoS(2), MoSe(2), WS(2), and WSe(2)) with different metals (Au, Cr, Ni, and Pd) in detail using density functional theory computations. Additionally, the work discusses the role of the chalcogen vacancy and interstitial defects in the metal–TMD interactions and corresponding MIGS features. …”
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“…[Image: see text] TaRh(2)B(2) and NbRh(2)B(2) compounds exhibit noncentrosymmetric superconductivity with a chiral structure. Density functional theory-based ab-initio calculations have been executed to analyze the structural properties, mechanical stability, ductility/brittleness behaviors, Debye temperature, melting temperature, optical response to incident photon energy, electronic characteristics, and superconducting transition temperature of chiral TaRh(2)B(2) and NbRh(2)B(2) compounds under pressure up to 16 GPa. …”
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“…A careful study of the progress of the disease in man together with the behavior of the organism in the monkey and the goat would suggest, at least, that the function of toxin production is, after all, of little use to the leprosy bacillus because it has seemingly acquired a highly parasitic existence; instead of which it is not only possible, but highly probable, that its defensive protection, whatever it may be, is enormously developed. …”
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“…Consistent with classical theories of motivation, which propose a functional relationship between behavioral approach and reward, our findings indicate that reward is a proximal mechanism through which genetic factors affect social motivation during early adolescence.…”
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