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1.
Kielas-Jensen Calvin Cichella Venanzio Casbeer David Manyam Satyanarayana Gupta Weintraub Isaac 《Journal of Optimization Theory and Applications》2021,191(2-3):899-916
Journal of Optimization Theory and Applications - A framework for monitoring a target modeled as Dubins car using multiple UAVs is proposed. The UAVs are subject to minimum and maximum speed,... 相似文献
2.
The serine protease, DegP exhibits proteolytic and chaperone activities, essential for cellular protein quality control and normal cell development in eukaryotes. The P. falciparum DegP is essential for the parasite survival and required to combat the oscillating thermal stress conditions during the infection, protein quality checks and protein homeostasis in the extra-cytoplasmic compartments, thereby establishing it as a potential target for drug development against malaria. Previous studies have shown that diisopropyl fluorophosphate (DFP) and the peptide SPMFKGV inhibit E. coli DegP protease activity. To identify novel potential inhibitors specific to PfDegP allosteric and the catalytic binding sites, we performed a high throughput in silico screening using Malaria Box, Pathogen Box, Maybridge library, ChEMBL library and the library of FDA approved compounds. The screening helped identify five best binders that showed high affinity to PfDegP allosteric (T0873, T2823, T2801, , CD00811) and the catalytic binding site (T0078L, T1524, T2328, BTB11534 and 552691). Further, molecular dynamics simulation analysis revealed RJC02337, BTB11534 as the best hits forming a stable complex. WaterMap and electrostatic complementarity were used to evaluate the novel bio-isosteric chemotypes of RJC02337, that led to the identification of 231 chemotypes that exhibited better binding affinity. Further analysis of the top 5 chemotypes, based on better binding affinity, revealed that the addition of electron donors like nitrogen and sulphur to the side chains of butanoate group are more favoured than the backbone of butanoate group. In a nutshell, the present study helps identify novel, potent and Plasmodium specific inhibitors, using high throughput in silico screening and bio-isosteric replacement, which may be experimentally validated. RJC02337相似文献
3.
In this paper, we consider linear combinations of modified Baskakov operators. By use of several lemmas, we obtain the inverse
theorem (Theorem 1.1) and the saturation (Theorem 1.2) for those linear combinations. 相似文献
4.
A previously developed laser spallation technique has been modified to measure the tensile strength of thin film interfaces in-situ at temperatures up to 1100°C. Tensile strengths of Nb/A-plane sapphire, FeCrAl/A-plane sapphire and FeCrAlY/A-plane sapphire were measured up to 950°C. The measured strengths at high temperatures were substantially lower compared with their corresponding strengths at ambient temperature. For example, at 850°C, the interface tensile strength for the Nb/sapphire (151 ± 17 MPa), FeCrAl/sapphire (62 ± 8 MPa) and FeCrAlY/sapphire (82 ± 11 MPa) interface systems were lower by factors of approximately, 3, 5, and 8, respectively, over their corresponding ambient values. These results underscore the importance of using such in-situ measured values under operating conditions as the failure criterion in any life prediction or reliability models of such coated systems where local interface temperature excursions are expected. The results on alloy film interfaces also demonstrate that the presence of Y increases the strength of FeCrAl/Al2O3 interfaces. 相似文献
5.
6.
Europium (Eu+) ions were confined in a Paul trap and detected by non-destructive method. Storage time of Eu+ ions achieved in vacuum was improved by orders of magnitude employing buffer gas cooling. The experimentally detected signal
was fitted to the ion response signal and the total number of ions trapped was estimated. It is found that the peak signal
amplitude as well as the product of FWHM and the peak signal amplitude is proportional to the total number of trapped ions.
The trapped ion secular frequency was swept at different rates and its effect on the absorption line profile was studied both
experimentally and theoretically. 相似文献
7.
A Monte Carlo simulation method is used to study thermal desorption of gas molecules from mixed adlayers containing two species. The effects of lateral interactions among adatoms and initial surface coverage on the desorption spectra are examined. It is shown that attractive lateral interactions lead to sharper peaks and that desorption occurs at high temperatures, whereas repulsive interactions lead to multiple peak spectra. It is found that interactions between unlike molecules affect the spectra for species with lower desorption energy only, and that the two species desorb together only in certain cases. Lateral interactions also affect the desorption kinetics significantly and very different behavior for the two species may be obtained. 相似文献
8.
S K Samanta U C Gupta R K Sharma 《The Journal of the Operational Research Society》2007,58(3):368-377
This paper investigates a discrete-time single-server finite-buffer queueing system with multiple vacations in which arrivals occur according to a discrete-time renewal process. Service and vacation times are mutually independent and geometrically distributed. We obtain steady-state system length distributions at prearrival, arbitrary and outside observer's observation epochs under the late arrival system with delayed access and early arrival system. The analysis of actual waiting-time for both the systems has also been carried out. The model has potential application in high-speed computer network, digital communication systems and other related areas. 相似文献
9.
M.K. Gupta Vijay Gupta Manoj Kumar 《Journal of Mathematical Analysis and Applications》2007,330(2):799-816
In the present paper we introduce a new family of linear positive operators and study some direct and inverse results in simultaneous approximation. 相似文献
10.
In this paper, we suggest and analyze a new two-step predictor–corrector type iterative method free from second derivatives for solving nonlinear equations of the type f(x)=0. This new method includes the two-step Newton method as a special case. We prove that the new iterative method is of fourth-order. Several examples are given to illustrate the efficiency of this new method and its comparison with other iterative methods. This method can be considered as a significant improvement of the Newton method and its variant forms. 相似文献