Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands by Xiaoqing Lu, Shuxian Wei, Chi-Man Lawrence Wu, Ning Ding, Shaoren Li, Lianming Zhao, Wenyue Guo

“…We report herein a theoretical investigation on a series of polypyridyl Fe(II)-based complexes of FeL2(SCN)2, [FeL3]2+, [FeL′(SCN)3]-, [FeL′2]2+, and FeL′′(SCN)2 (L = 2,2′-bipyridyl-4,4′-dicarboxylic acid, L′ = 2,2′,2″-terpyridyl-4,4′,4″-tricarboxylic acid, L″ = 4,4‴-dimethyl-2,2′ : 6′,2″ :6″,2‴-quaterpyridyl-4′,4″-biscarboxylic acid) by density functional theory (DFT) and time-dependent DFT (TD-DFT). Molecular geometries, electronic structures, and optical absorption spectra are predicted in both the gas phase and methyl cyanide (MeCN) solution. …”
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The Role of Mathematics and Science Education in the Adult Offender Rehabilitation Process by Siphelele Mbatha, Halalisani Mngomezulu, Nonhlanhla Nduku, Onelisa Mbathu

“…Framed within the QUANT-QUAL explanatory sequential mixed methods research design, and analysed thematically, through the lens of Vroom’s (1964) Expectancy Motivation Theory, the findings revealed that mathematics and science offender education does not significantly correlate with offenders’ ex-offenders’ employment prospects. …”
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The paradigm of anthropocentrism in contemporary pediatric surgery by V.О. Dubinina, І.V. Ksonz, S.М. Bilash, L.V. Abyzova, О.S. Bilanov

“…The idea of anthropocentrism is a key marker of the state of medical theory and practice in the technocratic society of the twenty-first century and demonstrates the global reflection of human society on its axiological attitudes. …”
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Microscopic Observation of Proliferative Membranes in Fibrocontractive Retinal Disorders by Rino Frisina, Francesco Tessarolo, Ivan Marchesoni, Federico Piccoli, Emiliana Bonomi, Patrizio Caciagli, Edoardo Midena, Giandomenico Nollo

“…In this study, the authors investigated the morphological characteristics and cell composition of various types of surgically excised proliferative membranes and internal limiting membranes (ILMs), in order to provide new data supporting or challenging the pathogenic theories proposed until now. Sixty-nine specimens from 64 eyes of 64 consecutive patients were collected at surgery and subjected to a multilevel analysis by means of optical and electron microscopy. …”
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Low Altitude Tailing Es (LATTE): Analysis of Sporadic‐E Layer Height at Different Latitudes of Middle and Low Region by Qiong Tang, Chen Zhou, Huixin Liu, Yi Liu, Jiaqi Zhao, Zhibin Yu, Lianhuan Hu, Zhengyu Zhao, Xueshang Feng

“…The lower‐lying Es layers, however, do not descend with the wind shear null, but stay at the bottom of the E region (∼100 km) for a long time, which cannot be explained by tidal wind shear theory. In addition, the time duration of the Es layers staying at low latitudes increases with the decreasing latitude. …”
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Regional Boundary Control of Traffic Network Based on MFD and FR-PID by Xin Yang, Juncheng Chen, Mantun Yan, Zhao He, Ziyan Qin, Jiandong Zhao

“…In order to effectively alleviate the traffic congestion of the regional road network, aiming at the problem of lack of accurate OD data of the road network, a regional boundary control method of the traffic network based on fuzzy RBF neural network PID (FR-PID) is proposed by combining the theory of macroscopic fundamental diagram (MFD). Firstly, based on the traffic survey, the simulation model of the study area is built, and the basic data such as the traffic flow and the time occupation rate of each road section are obtained. …”
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Current challenges, and potential solutions to increase acceptance and long-term consumption of cultured meat and edible insects – A review by Jia Wen Xanthe Lin, Narmatha Maran, Amanda JiaYing Lim, Siew Bee Ng, Pey Sze Teo

“…Similarly, non-product barriers can be mitigated through policies, education, and framing theory. Despite notable developments, achieving parity with animal meat is still a work in progress. …”
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Simulating responses of riparian ecosystem network complexity to flow regime shifts in arid regions by Mengmeng Zhang, Chengyi Zhao, Jianting Zhu, Wangya Han, Wenqi Jiang

“…This study applied a modified community-wide population model, integrated with network theory, to simulate the responses of the riparian ecosystem to potential future flow regimes in a desert oasis in northwestern China. …”
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LSN-GTDA: Learning Symmetrical Network via Global Thermal Diffusion Analysis for Pedestrian Trajectory Prediction in Unmanned Aerial Vehicle Scenarios by Ling Mei, Mingyu Fu, Bingjie Wang, Lvxiang Jia, Mingyu Yu, Yu Zhang, Lijun Zhang

“…Additionally, we propose a novel thermal diffusion process, based on signal and system theory, which manages uncertainty by utilizing the full response and providing interpretability to the network. …”
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Study on the Fractal Characteristics of Coal Body Fissure Development and the Law of Coalbed Methane Migration of around the Stope by He Yang, Zhen Liu, Danliang Zhu, Wenzhi Yang, Dawei Zhao, Wendi Wang

“…Further, with the help of the fractal theory and box counting method, the fracture development characteristics of the overlying strata are quantitatively described on the basis of experimental images. …”
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Analysis of the Impact of Big Data on E-Commerce in Cloud Computing Environment by Rongrui Yu, Chunqiong Wu, Bingwen Yan, Baoqin Yu, Xiukao Zhou, Yanliang Yu, Na Chen

“…Finally, based on the impact of cloud computing, mobile e-commerce is analyzed, including relevant theories, service mode, architecture, core technology, and the application in e-commerce, which can realize e-commerce precision marketing, find the optimal path of logistics, and take effective security measures to avoid transaction risks. …”
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Research on the bearing performance of HSCA high-strength preloaded expansion piles in calcareous sand foundation by Tao Sun, Fang Wang, Jie Liu, Zhenxun Chen, Mingmin Tuo, Yunan Yang

“…The Coulomb strength theory of non-cohesive soil is employed to accurately calibrate the incremental side resistance of the expansion section. …”
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Impact of lifestyle factors on oral cancer risk and prevention: Oral cancer epidemiology by Iadalin Ryntathiang, N. Aravindha Babu, Silambarasan Tamil Selvan, Mukesh Kumar Dharmalingam Jothinathan

“…Epidemiological transition theory is a rational tool that makes it possible to understand contemporary public health issues. …”
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Shock Breakouts from Compact Circumstellar Medium Surrounding Core-collapse Supernova Progenitors May Contribute Significantly to the Observed ≳10 TeV Neutrino Background by Eli Waxman, Tal Wasserman, Eran O. Ofek, Avishay Gal-Yam

“…SNe producing  >1 neutrino event in a 1 km ^2 detector are expected at a rate of  ≲0.1 yr ^−1 . A quantitative theory describing the evolution of the electromagnetic spectrum during a breakout, as the radiation-mediated shock is transformed into a collisionless one, is required to enable (i) using data from upcoming surveys that will systematically detect large numbers of young,  <1 day old SNe to determine the preexplosion mass-loss history of the SN progenitor population, and (ii) a quantitative determination of the neutrino luminosity and spectrum.…”
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Highly corrosion-resistant and photocatalytic hybrid coating on AZ31 Mg alloy via plasma electrolytic oxidation with organic-inorganic integration by Talitha Tara Thanaa, Mohammad Aadil, Alireza Askari, Arash Fattah-alhosseini, Mohammad Alkaseem, Mosab Kaseem

“…Additionally, the coating achieved complete (100%) degradation of methylene blue (MB) within 30 min under visible light. Density Functional Theory (DFT) calculations provide deeper insights into the bonding mechanisms and interaction stability between PHEN, 2-IMD, and the PEO layer on the Mg alloy and MB dye. …”
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Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate by Anthony C. Ekennia, Damian C. Onwudiwe, Lukman O. Olasunkanmi, Aderoju A. Osowole, Eno E. Ebenso

“…The geometry, electronic, and thermodynamic parameters of the complexes were obtained from density functional theory (DFT) calculations. The spin density distributions, relative strength of H–bonds, and thermodynamic parameters revealed that the order of stability of the metal complexes is Mn < Co < Cu > Zn. …”
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Dynamic cycles between brain states during creative storytelling by Xitong Liang, Mingnan Cai, Gaohan Jing, Chengming Zhang, Emily Sophia Nichols, Li Liu

“…Many theories suggest that creative thinking involves a dynamic transition between different mental states, yet empirical evidence supporting this notion remains scarce. …”
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Adhesion of Nano-ZnO Modified Asphalt and Its Influence on Moisture-Sensitive Properties of Mixtures by Xiaoming Chen, Ping Wen, Qibin Ji, Shujiang Jiang, Zhimin Zhou, Aipeng Wang, Lingyun Li, Bowen Guan

“…Furthermore, the correlation between the surface-free energy theory and the pull-off test results is better than the boiling test ones. …”
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Engineering p‐Orbital States via Molecular Modules in All‐Organic Electrocatalysts toward Direct Water Oxidation by Li‐Hong Yu, Xue‐Feng Zhang, Zi‐Ming Ye, Hong‐Gang Du, Li‐Dong Wang, Ping‐Ping Xu, Yuhai Dou, Li‐Ming Cao, Chun‐Ting He

“…A variety of spectroscopic techniques and density functional theory (DFT) calculations reveal that the p‐band center of these catalysts can be shifted stepwise to optimize the oxygen intermediate adsorption and lower the reaction energy barrier. …”
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C–C bond coupling with sp3 C–H bond via active intermediates from CO2 hydrogenation by Qianli Ma, Jianian Cheng, Xiaojing Wu, Jin Xie, Ruihui Zhang, Zhihe Mao, Hongfang Yang, Wenjun Fan, Jianrong Zeng, Johannes Hendrik Bitter, Guanna Li, Zelong Li, Can Li

“…In-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations suggest that the CHxO* (CH2O*) species, rather than methanol produced from CO2 hydrogenation, is the key intermediate to achieve the C–C bond coupling.…”
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