QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP AND MOLECULAR DOCKING STUDIES OF HYDROXAMIC ACID DERIVATIVES AS NOVEL CLASS INHIBITORS AGAINST HELICOBACTER PYLORI UREASE by Ibrahim Tijjani Ibrahim, Adamu Uzairu, Balarabe Sagagi

“… In order to develop quantitative structure-activity relationship (QSAR), for predicting antiulcer activity of hydroxamic acid analogues use as dataset and their antiulcer activity were obtained from the literature. Density Functional Theory (DFT) using B3LYP/6-31G* quantum chemical calculation method was used to find the optimized geometry of the studied compounds. …”
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Benchmark Solution for Free Vibration of Moderately Thick Functionally Graded Sandwich Sector Plates on Two-Parameter Elastic Foundation with General Boundary Conditions by Haichao Li, Fuzhen Pang, Xueren Wang, Shuo Li

“…The first-order shear deformation theory (FSDT) is adopted to construct the theoretical model. …”
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Nonlinear MIMO Control of a Continuous Cooling Crystallizer by Pedro Alberto Quintana-Hernández, Raúl Ocampo-Pérez, Salvador Tututi-Avila, Salvador Hernández-Castro

“…In this work, a feedback control algorithm was developed based on geometric control theory. A nonisothermal seeded continuous crystallizer model was used to test the algorithm. …”
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The Impact of Living with Parkinson’s Disease: Balancing within a Web of Needs and Demands by Catharina Sjödahl Hammarlund, Albert Westergren, Ingrid Åström, Anna-Karin Edberg, Peter Hagell

“…According to self-determination theory, a shift towards extrinsically motivated behaviours may occur when these basic needs are thwarted, leading to compensatory strategies or needs substitutes with negative consequences on health and well-being. …”
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Adat tapsila representation of the transformation of communication, information, and education of local wisdom wetu telu in efforts for environmental conservation in North Lombok,... by Sutama I Wayan, Pawito Pawito, Hastjarjo Sri, Demartoto Argyo

“…This research examines the Tapsila customs as a representation of transformation in information communication and education, using Donal Carbaugh’s naturalizing culture theory. The ethnographic approach is used, with in-depth interviews and participatory observation of rituals and environmental management practices. …”
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The Centrality of Prosocial Values in Work Motivation among Public and Private Sector Employees by Egle Vaidelytė, Vaidas Morkevičius, Egle Butkevičienė, Michiel de Vries

“…Design/methodology/approach: Based on a psychological theory on values and motivation, the paper argues that it might be preferred to measure the centrality of prosocial values amidst other job motivators in the value system as a whole to assess the degree of prosocial values’ dominance. …”
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Determination of an Indoor Target Position: An Accurate and Adaptable Approach Based on Differential Positioning by Siye Wang, Chang Ding, Weiqing Huang, Yanfang Zhang, Jianguo Jiang, Shaoyi Zhu, Yue Cui, Jun-yu Lin

“…The target’s position is then computed by utilizing both the plane geometric method and difference localization theory. This combination of techniques is reasonable for the environment under consideration (small scale, wireless), as the multipath effects for the signal are approximately equal under these conditions. …”
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Applying Concepts of Curriculum Design and Cultural Adaptation: Collaborating on a Dual-Degree Occupational Therapy Program in Mainland China by Julie McLaughlin Gray, Ling Yu (Elena) Meng, Adley Chan, Cameron Chang, Yijun Liu, Liguo Qian, Hui Wang, Ninghua Wang, Yanyan Yang, Mouwang Zhou, Grace T. Baranek

“…As culture plays an important role in shaping theory and practice, the curriculum design of academic programs that train future rehabilitation professionals should reflect the local context. …”
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Dynamics of global economic growth: a Bayesian exploration of basic and augmented Solow models by Nguyen Thi My Diem, Nguyen Ngoc Thach

“…The Solow growth model has long served as a cornerstone in economic theory, offering critical insights for formulating growth policies. …”
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Minimum Water Requirement Method for High-Performance Sulphoaluminate Cement-Based Materials by Hong-ping Zhang, Pei-kang Bai, Jian-hong Wang, Yan-li Dong, Yun-shan Han

“…According to the closest-packing theory and on the basis of the minimum water requirement test, the influence of mineral admixtures on the minimum water requirement was evaluated for sulphoaluminate composite system paste. …”
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Effect of Constituent Units, Type of Interflavan Bond, and Conformation on the Antioxidant Properties of Procyanidin Dimers: A Computational Outlook by Ana María Mendoza-Wilson, René Renato Balandrán-Quintana

“…The objective of this study was to analyze the effect of the constituent units, type of interflavan bond, and conformation on the antioxidant properties of PC dimers including PB3, PB4, PB5, PB6, PB7, and PB8, using the density functional theory (DFT) computational method. The analysis was performed in function of parameters that allow determining the ability of the molecules to transfer or to capture electrons, among which the chemical potential, bond dissociation enthalpy (BDE), gap energy, Fukui indices, and charge distribution of HOMO-LUMO orbitals. …”
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X-Band Waveguide Reflectionless Filtering Antenna Array With High Selectivity by Jun Ma, Fuchang Chen, Kairan Xiang

“…The prototype circuit of the reflectionless filtering antenna array based on the complementary duplex theory is established, consisting of a bandpass network and a bandstop network, whose responses are completely complementary. …”
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Optimization of Jamming Type Selection for Countering Multifunction Radar Based on Generative Adversarial Imitation Learning by Tianjian Yang, You Chen, Siyi Cheng, Xing Wang, Xi Zhang

“…Secondly, based on generative adversarial theory, the discriminator measures the difference between the generated and expert strategies. …”
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Thermos-Solid-Gas Coupling Dynamic Model and Numerical Simulation of Coal Containing Gas by Xiao Fukun, Meng Xin, Li Lianchong, Liu Jianfeng, Liu Gang, Liu Zhijun, Xu Lei

“…Based on gas seepage characteristics and the basic thermo-solid-gas coupling theory, the porosity model and the dynamic permeability model of coal body containing gas were derived. …”
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A Comparative Analysis Between the ENVISAT and ICEYE SAR Systems for the Estimation of Sea Surface Current Velocity by Virginia Zamparelli, Pietro Mastro, Antonio Pepe, Simona Verde

“…The standard deviation of DCA measurements is derived and tested against what is expected by theory. The presented analysis results are beneficial to evaluate the pros and cons of the new-generation X-band to the first-generation ASAR/ENVISAT system, which has been extensively exploited for ocean currents monitoring applications. …”
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High-performance solid-state proton gating membranes based on two-dimensional hydrogen-bonded organic framework composites by Dandan Lei, Yixiang Wang, Qixiang Zhang, Shuqi Wang, Lei Jiang, Zhen Zhang

“…Here, we demonstrate solid-state hydrogen-bonded organic frameworks-based membranes to achieve high-performance ambient humidity-controlled proton gating, accomplished by switching the proton transport pathway instead of relying on conventional ion blockage/activation effects. Density functional theory calculations reveal that the reversible formation and disruption of humidity-induced water bridges within the frameworks facilitates the switching of proton transport mode from the adsorption site hopping to the Grotthuss mechanism. …”
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Photoredox-Catalyzed Decomposition of Nitric Oxide over Au-Enhanced Surface Plasmon Resonance ZnSn(OH)6 Microcubes by Minh-Thuan Pham, Truc Mai Thi Nguyen, Sheng-Jie You, Ya-Fen Wang

“…In addition, the generation of other nitrogen species, nitrogen dioxide (NO2) conversion, and the reusability of the materials are calculated and discussed carefully by theory and experiment. On the other hand, the contribution and lifespan of radicals are also investigated clearly with trapping experiments and time-dependent electron spin resonance (ESR). …”
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Construction of Gene Regulatory Networks Using Recurrent Neural Networks and Swarm Intelligence by Abhinandan Khan, Sudip Mandal, Rajat Kumar Pal, Goutam Saha

“…We have used established information and the fundamental mathematical theory for this purpose. We have employed the Recurrent Neural Network formalism to extract the underlying dynamics present in the time series expression data accurately. …”
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RS, S (+) - and R (−)-ibuprofen cocrystal polymorphs: Vibrational spectra, XRD measurement and DFT calculation studies by Yaqi Jing, Qiuhui Zhao, Jiale Zhang, Jiadan Xue, Jianjun Liu, Jianyuan Qin, Zhi Hong, Yong Du

“…In addition, in order to verify the successful preparation of them, we used density functional theory (DFT) to optimize and simulate the theoretical structures of the RS-IBU: NIC cocrystal polymorphs, and compared the simulated results with the experimental results. …”
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Molecular study and analysis of organic compounds for high-performance solar cell applications by El Mhamedi Imane, El Malki Zakaria

“…In this study, we used time-dependent density functional theory DFT/TD-DFT methods in its B3LYP/6-311G(d,p) formalism to model and analyze various properties of conjugated organic compounds. …”
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