A CONIC AFFINE SCALING DOGLEG METHOD FOR NONLINEAR OPTIMIZATION WITH BOUND CONSTRAINTS

2013 ◽  
Vol 30 (03) ◽  
pp. 1340011 ◽  
Author(s):  
LIJUAN ZHAO ◽  
WENYU SUN

The conic model proposed by Davidon (1980) [Davidon, WC (1980). Conic approximations and collinear scalings for optimizers. SIAM Journal on Numerical Analysis, 17, 268–281.] is an extension of quadratic model incorporating more information than quadratic model. In this paper, we propose a conic affine scaling dogleg method for bound constrained optimization. Under some mild conditions, the sequence generated by our algorithm converges to a stationary point. Numerical tests on a series of standard testing problems confirm the efficiency of the method.

2021 ◽  
Author(s):  
Luis Alberto Fernández ◽  
Lucía Fernández

Abstract This paper deals with the classic radiotherapy dose fractionation problem for cancer tumors concerning the following goals: a) To maximize the effect of radiation on the tumor, restricting the effect produced to the organs at risk (healing approach). b) To minimize the effect of radiation on the organs at risk, while maintaining enough effect of radiation on the tumor (palliative approach). We will assume the linear-quadratic model to characterize the radiation effect and consider the stationary case (that is, without taking into account the timing of doses and the tumor growth between them). The main novelty with respect to previous works concerns the presence of minimum and maximum dose fractions, to achieve the minimum effect and to avoid undesirable side effects, respectively. We have characterized in which situations is more convenient the hypofractionated protocol (deliver few fractions with high dose per fraction) and in which ones the hyperfractionated regimen (deliver a large number of lower doses of radiation) is the optimal strategy. In all cases, analytical solutions to the problem are obtained in terms of the data. In addition, the calculations to implement these solutions are elementary and can be carried out using a pocket calculator.


2007 ◽  
Author(s):  
Fabiano Toledo ◽  
Henrique Marques ◽  
João Comasseto ◽  
Cristiano Raminelli
Keyword(s):  

2020 ◽  
Vol 89 ◽  
pp. 65-74
Author(s):  
A. G. Zavorotnyy ◽  

Introduction. Operation of radiation hazardous facilities is a reality of the modern world, and the future of the world economy is impossible without the development of nuclear and radiation technologies. At the same time, the widespread use of atomic energy puts forward an important and responsible task of ensuring the safety of the population and the environment in conditions of an increased risk of exposure to ionizing radiation and radioactive substances. In accordance with clause 3.2.1 of the "Radiation Safety Standards NRB-99/2009", the planned increased exposure of persons involved in emergency rescue operations related to the elimination of the consequences of radiation accidents is allowed for men, as a rule, over 30 years old only with their voluntary written consent, after informing about possible radiation doses and health risks. Increased exposure refers to exposure in excess of the basic dose limits under controlled (normal) operating conditions of radiation sources. Goals and objectives. The aim of the study is to increase the functionality of emergency services and fire and rescue subdivisions to perform tasks as intended in the elimination of radiation accidents. The tasks include the construction and substantiation of a model that allows converting the risks of deterministic effects into stochastic effects risks. Methods. When calculating the probability of output of stochastic and deterministic effects depending on the radiation dose and developing a threshold quadratic model, the least squares method and the probabilistic-statistical method were used. Results and discussion. The article shows that a linear non-threshold model of the interaction of radiation with matter greatly overestimates the risk of a stochastic effect emerging at doses of radiation. For example, this overestimation is 8,13 at a dose of D = 0,2 Sv/year. In this regard, a threshold quadratic model has been developed and proposed to be replaced by a threshold quadratic model, which makes it possible to increase the planned irradiation of personnel of emergency services and fire and rescue units during the elimination of radiation accidents in an effective dose from 0,2 Sv to 0,57 Sv, moreover, the probability of emergence of stochastic effects P2 = 0,0084 remains the same for both models. Conclusions. An increase in the maximum permissible dose of radiation for personnel of emergency services and fire and rescue units from 0,2 Sv/year to 0,5 Sv/year will make it possible to increase the functionality of the emergency services and fire and rescue units to perform tasks as intended by 2,5 times when elimination of radiation accidents. For example, the scope of rescue operations may be increased from 100 %, performed at a dose of D = 0,2 Sv/year, to 250 %, performed at a dose of D = 0,5 Sv/year. Key words: emergency services, fire and rescue units, radiation accidents, irradiation, linear no-threshold model, threshold quadratic model.


2019 ◽  
Author(s):  
Raghu Nath Dhital ◽  
keigo nomura ◽  
Yoshinori Sato ◽  
Setsiri Haesuwannakij ◽  
Masahiro Ehara ◽  
...  

Carbon-Fluorine (C-F) bonds are considered the most inert organic functionality and their selective transformation under mild conditions remains challenging. Herein, we report a highly active Pt-Pd nanoalloy as a robust catalyst for the transformation of C-F bonds into C-H bonds at low temperature, a reaction that often required harsh conditions. The alloying of Pt with Pd is crucial to activate C-F bond. The reaction profile kinetics revealed that the major source of hydrogen in the defluorinated product is the alcoholic proton of 2-propanol, and the rate-determining step is the reduction of the metal upon transfer of the <i>beta</i>-H from 2-propanol. DFT calculations elucidated that the key step is the selective oxidative addition of the O-H bond of 2-propanol to a Pd center prior to C-F bond activation at a Pt site, which crucially reduces the activation energy of the C-F bond. Therefore, both Pt and Pd work independently but synergistically to promote the overall reaction


Author(s):  
Birgit Meindl ◽  
Katharina Pfennigbauer ◽  
Berthold Stöger ◽  
Martin Heeney ◽  
Florian Glöcklhofer

Anthracene derivatives have been used for a wide range of applications and many different synthetic methods for their preparation have been developed. However, despite continued synthetic efforts, introducing substituents in some positions has remained difficult. Here we present a method for the synthesis of 2,3,6,7-substituted anthracene derivatives, one of the most challenging anthracene substitution patterns to obtain. The method is exemplified by the preparation of 2,3,6,7-anthracenetetracarbonitrile and employs a newly developed, stable protected 1,2,4,5-benzenetetracarbaldehyde as the precursor. The precursor can be obtained in two scalable synthetic steps from 2,5-dibromoterephthalaldehyde and is converted into the anthracene derivative by a double intermolecular Wittig reaction under very mild conditions followed by a deprotection and intramolecular double ring-closing condensation reaction. Further modification of the precursor is expected to enable the introduction of additional substituents in other positions and may even enable the synthesis of fully substituted anthracene derivatives by the presented approach.<br>


2020 ◽  
Author(s):  
Subham Mahapatra ◽  
Cristian P. Woroch ◽  
Todd W. Butler ◽  
Sabrina N. Carneiro ◽  
Sabrina C. Kwan ◽  
...  

<p><br></p> <p>A method to activate sulfamoyl fluorides, fluorosulfates, and sulfonyl fluorides with calcium triflimide, and DABCO for SuFEx with amines is described. The reaction was applied to a diverse set of sulfamides, sulfamates, and sulfonamides at room temperature under mild conditions. Additionally, we highlight the application of this transformation to parallel medicinal chemistry to generate a broad array of nitrogen-based S(VI) compounds. </p>


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