Analisa Kepuasan Konsumen Di Restaurant “X” Di Surabaya

Penelitian ini ditunjukan untuk menganalisa tingkat kesenjangan antara harapan dari konsumen terhadap Kenyataan yang diterima oleh konsumen dan mengukur tingkat kepuasan konsumen di Restoran “X” dengan menggunakan atribut DINESERV. Penelitian ini menggunakan Importance Performance Analysis(IPA). Hasil dari penelitian ini adalah kesenjangan antara harapan dan Kenyataan yang diukur menggunakan atribut DINESERV adalah Kenyataan yang diterima oleh konsumen sangat tidak sesuai dengan harapan konsumen dan konsumen sangat tidak puas terutama dengan atribut Convenience Restoran yaitu Jarak dari Restoran “X” di Surabay

sj-csv-2-jls-10.1177_0261927X231190861 - Supplemental material for LIWC Indicators of Cross-Country Income Inequality at the United Nations General Debate (1987-2020): An Elastic Net Analysis

Supplemental material, sj-csv-2-jls-10.1177_0261927X231190861 for LIWC Indicators of Cross-Country Income Inequality at the United Nations General Debate (1987-2020): An Elastic Net Analysis by Lin Shen in Journal of Language and Social Psychology</p

Supplemental Material - Culture and Explicitness of Persuasion: Linguistic Evidence From a 51-Year Corpus-Based Cross-Cultural Comparison of the United Nations General Debate Speeches Across 55 Countries (1970-2020)

Supplemental Material for Culture and Explicitness of Persuasion: Linguistic Evidence From a 51-Year Corpus-Based Cross-Cultural Comparison of the United Nations General Debate Speeches Across 55 Countries (1970-2020) by Lin Shen in Cross-Cultural Research</p

sj-docx-1-jls-10.1177_0261927X231190861 - Supplemental material for LIWC Indicators of Cross-Country Income Inequality at the United Nations General Debate (1987-2020): An Elastic Net Analysis

Supplemental material, sj-docx-1-jls-10.1177_0261927X231190861 for LIWC Indicators of Cross-Country Income Inequality at the United Nations General Debate (1987-2020): An Elastic Net Analysis by Lin Shen in Journal of Language and Social Psychology</p

Molecular Dynamics Simulations with Quantum Mechanics/Molecular Mechanics and Adaptive Neural Networks

Direct molecular dynamics (MD) simulation with ab initio quantum mechanical and molecular mechanical (QM/MM) methods is very powerful for studying the mechanism of chemical reactions in a complex environment but also very time-consuming. The computational cost of QM/MM calculations during MD simulations can be reduced significantly using semiempirical QM/MM methods with lower accuracy. To achieve higher accuracy at the ab initio QM/MM level, a correction on the existing semiempirical QM/MM model is an attractive idea. Recently, we reported a neural network (NN) method as QM/MM-NN to predict the potential energy difference between semiempirical and ab initio QM/MM approaches. The high-level results can be obtained using neural network based on semiempirical QM/MM MD simulations, but the lack of direct MD samplings at the ab initio QM/MM level is still a deficiency that limits the applications of QM/MM-NN. In the present paper, we developed a dynamic scheme of QM/MM-NN for direct MD simulations on the NN-predicted potential energy surface to approximate ab initio QM/MM MD. Since some configurations excluded from the database for NN training were encountered during simulations, which may cause some difficulties on MD samplings, an adaptive procedure inspired by the selection scheme reported by Behler [Behler Int. J. Quantum Chem. 2015, 115, 1032; Behler Angew. Chem., Int. Ed. 2017, 56, 12828] was employed with some adaptions to update NN and carry out MD iteratively. We further applied the adaptive QM/MM-NN MD method to the free energy calculation and transition path optimization on chemical reactions in water. The results at the ab initio QM/MM level can be well reproduced using this method after 2–4 iteration cycles. The saving in computational cost is about 2 orders of magnitude. It demonstrates that the QM/MM-NN with direct MD simulations has great potentials not only for the calculation of thermodynamic properties but also for the characterization of reaction dynamics, which provides a useful tool to study chemical or biochemical systems in solution or enzymes

Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations

We developed a new multiresolution method that spans three levels of resolution with quantum mechanical, atomistic molecular mechanical, and coarse-grained models. The resolution-adapted all-atom and coarse-grained water model, in which an all-atom structural description of the entire system is maintained during the simulations, is combined with the ab initio quantum mechanics and molecular mechanics method. We apply this model to calculate the redox potentials of the aqueous ruthenium and iron complexes by using the fractional number of electrons approach and thermodynamic integration simulations. The redox potentials are recovered in excellent accordance with the experimental data. The speed-up of the hybrid all-atom and coarse-grained water model renders it computationally more attractive. The accuracy depends on the hybrid all-atom and coarse-grained water model used in the combined quantum mechanical and molecular mechanical method. We have used another multiresolution model, in which an atomic-level layer of water molecules around redox center is solvated in supramolecular coarse-grained waters for the redox potential calculations. Compared with the experimental data, this alternative multilayer model leads to less accurate results when used with the coarse-grained polarizable MARTINI water or big multipole water model for the coarse-grained layer

Resolution-Adapted All-Atomic and Coarse-Grained Model for Biomolecular Simulations

We develop here an adaptive multiresolution method for the simulation of complex heterogeneous systems such as the protein molecules. The target molecular system is described with the atomistic structure while maintaining concurrently a mapping to the coarse-grained models. The theoretical model, or force field, used to describe the interactions between two sites is automatically adjusted in the simulation processes according to the interaction distance/strength. Therefore, all-atomic, coarse-grained, or mixed all-atomic and coarse-grained models would be used together to describe the interactions between a group of atoms and its surroundings. Because the choice of theory is made on the force field level while the sampling is always carried out in the atomic space, the new adaptive method preserves naturally the atomic structure and thermodynamic properties of the entire system throughout the simulation processes. The new method will be very useful in many biomolecular simulations where atomistic details are critically needed

The Reactivity of the 1,4-Biradical Formed by Norrish Type Reactions of Aqueous Valerophenone: A QM/MM-Based FEP Study

In the present work, Norrish type reactions of aqueous valerophenone and the reactivity of the triplet 1,4-biradical formed by the 1,5-H shift have been studied with the free energy perturbation (FEP) method that is based on the combined scheme of quantum mechanics (QM) and molecular mechanics (MM). The fluctuation and diffusion of the solvent molecules were found to have an important influence on Norrish type reactions of valerophenone. The α C−C bond cleavages were predicted to be not in competition with the 1,5-H shift, which is consistent with the experimental findings that Norrish type II quantum yield is close to unity. The triplet lifetime of aqueous valerophenone was experimentally inferred to be 52 ns, which is nearly reproduced by the QM/MM-FEP calculated rate constant of 2.33 × 107 s−1. The calculated results show that branch ratios of the subsequent reactions from the triplet 1,4-biradical are mainly controlled by the equilibrium populations of its stable conformations. The ratio of cleavage to cyclization measured experimentally is well reproduced by the present QM/MM-FEP calculations. However, the absolute quantum yields of cleavage and cyclization reactions are underestimated theoretically and the reason for this is discussed

Table_4_Global, regional, and national incidence and mortality of neonatal sepsis and other neonatal infections, 1990–2019.XLSX

BackgroundNeonatal infections, especially neonatal sepsis, are one of the major causes of incidence and mortality in pediatrics. However, the global burden of neonatal sepsis and other neonatal infections (NSNIs) remains unclear.MethodsFrom the 2019 global disease burden study, we collected annual incident cases, deaths, age-standardized incidence rates (ASIRs), and age-standardized deaths rates (ASDRs) of NSNIs in the past 30 years. Analysis indicators included the percentage of relative changes in incident cases and deaths, and the estimated annual percentage changes (EAPCs) of ASIRs and ASDRs. Correlations were assessed between the EAPCs of ASIRs and ASDRs and social evaluation indicators, including sociodemographic index (SDI) and universal health coverage index (UHCI).ResultsGlobally, the number of incident cases of NSNIs grew by 12.79% per year, and the number of deaths dropped by 12.93% per year. During this period, global ASIR of NSNIs increased by 46% annually on average, while ASDR decreased by 53% annually on average. The ASIR and ASDR of female NSNIs were consistently lower than that of male NSNIs. The EAPC of female ASIR was 0.61, nearly twice that of male ASIR, and female ASIR was growing rapidly. The same declining trends of ASDR were noted in males and females. The ASIR of NSNIs in high-SDI regions grew by an average of 14% annually from 1990 to 2019. Except for high-SDI regions, the ASIRs of other 4 SDI regions maintained a rising trend at a high level, and were improved in the past 10 years. The ASDRs of all 5 SDI regions generally showed a downward trend. The region with the highest ASIR of NSNIs was Andean Latin America, and Western Sub-Saharan Africa had the highest mortality. We found a negative correlation between EAPCs of ASDRs and UHCI in 2019.ConclusionThe global health situation was still not optimal. The incidence of NSNIs remained high, and continues to rise. The mortality of NSNIs has decreased, especially in the countries/territories with high UHCI. Therefore, it is crucial to improve the overall awareness and management of NSNIs, and take interventions for NSNIs worldwide.</p

Table_2_Global, regional, and national incidence and mortality of neonatal sepsis and other neonatal infections, 1990–2019.XLSX

BackgroundNeonatal infections, especially neonatal sepsis, are one of the major causes of incidence and mortality in pediatrics. However, the global burden of neonatal sepsis and other neonatal infections (NSNIs) remains unclear.MethodsFrom the 2019 global disease burden study, we collected annual incident cases, deaths, age-standardized incidence rates (ASIRs), and age-standardized deaths rates (ASDRs) of NSNIs in the past 30 years. Analysis indicators included the percentage of relative changes in incident cases and deaths, and the estimated annual percentage changes (EAPCs) of ASIRs and ASDRs. Correlations were assessed between the EAPCs of ASIRs and ASDRs and social evaluation indicators, including sociodemographic index (SDI) and universal health coverage index (UHCI).ResultsGlobally, the number of incident cases of NSNIs grew by 12.79% per year, and the number of deaths dropped by 12.93% per year. During this period, global ASIR of NSNIs increased by 46% annually on average, while ASDR decreased by 53% annually on average. The ASIR and ASDR of female NSNIs were consistently lower than that of male NSNIs. The EAPC of female ASIR was 0.61, nearly twice that of male ASIR, and female ASIR was growing rapidly. The same declining trends of ASDR were noted in males and females. The ASIR of NSNIs in high-SDI regions grew by an average of 14% annually from 1990 to 2019. Except for high-SDI regions, the ASIRs of other 4 SDI regions maintained a rising trend at a high level, and were improved in the past 10 years. The ASDRs of all 5 SDI regions generally showed a downward trend. The region with the highest ASIR of NSNIs was Andean Latin America, and Western Sub-Saharan Africa had the highest mortality. We found a negative correlation between EAPCs of ASDRs and UHCI in 2019.ConclusionThe global health situation was still not optimal. The incidence of NSNIs remained high, and continues to rise. The mortality of NSNIs has decreased, especially in the countries/territories with high UHCI. Therefore, it is crucial to improve the overall awareness and management of NSNIs, and take interventions for NSNIs worldwide.</p