A Structural Model of Truncated Gaussia princeps Luciferase Elucidating the Crucial Catalytic Function of No.76 Arginine towards Coelenterazine Oxidation. by Nan Wu, Zhi-Chao Xu, Kai-Dong Du, Shen Huang, Naohiro Kobayashi, Yutaka Kuroda, Yan-Hong Bai

“…Then, we constructed a cluster model to examine the CTZ oxidation pathway in the cavity using Density Functional Theory (DFT) calculations. The result showed that the pathway consists of four elementary reactions, with the highest Gibbs energy barrier being 65.4 kJ/mol. …”
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Synthesis of Anti-Inflammatory Drugs’ Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molec... by Nikitas Georgiou, Andromachi Tzani, Kyriaki Vavougyiou, Christos Papadopoulos, Nikolaos Eleftheriadis, Primož Šket, Demeter Tzeli, Tuomas Niemi-Aro, Anastasia Detsi, Thomas Mavromoustakos

“…The structure of each chalcone was elucidated through a combination of Nuclear Magnetic Resonance (NMR) and Density Functional Theory (DFT). The substituent effect on the absorption spectrum of the two chalcone derivatives was studied. …”
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A qualitative study of how clinicians reach agreement in perioperative pathway development: the Consensus Model for Standardising Healthcare by Lisa Pagano, Janet C. Long, Emilie Francis-Auton, Andrew Hirschhorn, Gaston Arnolda, Jeffrey Braithwaite, Mitchell N. Sarkies

“…Methods A qualitative, modified grounded theory study was conducted in one private hospital in metropolitan Sydney, Australia. …”
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VR-Based Workplace Training and Spaces of Learning: A Social Space Study of VR Training for Apprentice Electricians by Katrin Kraus, Martin Berger, Thomas Keller, Elke Brucker-Kley

“…The study uses a spatial theory perspective to understand how the apprentices use the VR environment to develop their vocational competence and how spaces of learning are created through this process.  …”
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Contradictions of students’ motivation for participation in the activities of voluntary organisations by A. V. Starshinova

“…The questionnaire was based on the theory of the motives of volunteering and their classification. …”
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Recipient and instructor perspectives of an adapted exercise-based fall prevention programme for adults aged 50+ years with vision impairment: a qualitative study nested within a r... by Lisa Keay, Lindy Clemson, Helen Nguyen, Lisa Dillon, Kirsten Bonrud Jakobsen, Jodi Martin, Frances Tinsley

“…The content of each interview was analysed using behaviour change theory through deductive qualitative analysis.Setting New South Wales and Australian Capital Territory, Australia.Participants The 11 trained instructors interviewed were employees of a vision rehabilitation organisation and had delivered at least one programme session as part of the RCT. …”
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Designing multivalent NiMn-based layered nanosheets with high specific surface area and abundant active sites for solid-state hydrogen storage in magnesium hydride by Tao Zhong, Tian Xu, Liuting Zhang, Fuying Wu, Yiqun Jiang, Xuebin Yu

“…Microstructure observations and density functional theory calculations revealed that first, the hydrogen pumping effect of Mg2Ni/Mg2NiH4 promotes the adsorption and desorption of hydrogen molecules on the surface of MgH2, second, MnOx drew electrons from Mg2Ni, producing a new Density of State structure with a lower d-bond center. …”
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Tailoring traditional Chinese medicine in cancer therapy by Shuiquan Li, Xi Chen, Hui Shi, Ming Yi, Bing Xiong, Tianye Li

“…Recently, with the advancement of contemporary biologic and medical theory and technology, it has become both feasible and imperative to elucidate the molecular signaling mechanisms and cellular biology underlying TCM. …”
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Reflections on the role of chemical osmosis mechanisms on the long-term behavior of a collapsed salt cavity by Ledoux, Emmanuel, Hertz, Emmanuel, Robinet, Jean-Charles, Combes, Pierre

“…Recent work on chemical osmosis in clay media, motivated by research on the geological storage of nuclear waste in a clay layer, raises questions about the role of this mechanism on the long-term behavior of the system.Based on a bibliographical approach, the article presents a brisk synthesis of the theory of chemical osmosis and discusses its application to the case of clayey rocks which can constitute imperfect membranes capable of generating osmotic pressures.First, the article presents the equations representing the flow of the fluid and the solute transport according to a simplified formulation adapted to the geometry of the system. …”
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Development of a new method for measuring the electric field strength based on a dual electro-induction sensor by S. V. Biryukov, A. V. Tyukin, L. V. Tyukina

“…The method of measurement by the mean value assumes simultaneous measurement of two values of intensity E1 and E2 in one point of electric field with opposite sign errors. As the theory of construction of the new method has shown, it is possible to determine not only the measurement result as an average of two values of the strengths, but also to estimate the error of the measurement result and tentatively determine the distance to the field source. …”
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Primordial black holes and their gravitational-wave signatures by Eleni Bagui, Sébastien Clesse, Valerio De Luca, Jose María Ezquiaga, Gabriele Franciolini, Juan García-Bellido, Cristian Joana, Rajeev Kumar Jain, Sachiko Kuroyanagi, Ilia Musco, Theodoros Papanikolaou, Alvise Raccanelli, Sébastien Renaux-Petel, Antonio Riotto, Ester Ruiz Morales, Marco Scalisi, Olga Sergijenko, Caner Ünal, Vincent Vennin, David Wands, For the LISA Cosmology Working Group

“…Significant progress has been achieved both on the theory side and from the point of view of observations, including new models and more accurate calculations of PBH formation, evolution, clustering, merger rates, as well as new astrophysical and cosmological probes. …”
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NEGATIVE INTEREST RATES: CENTRAL BANKS INITIATED AN EXPERIMENT by A. N. Burenin

“…Their yields according to theory could not become lower than zero. By introducing negative rates, the central banks told in fact that the lower bound of the interest rate didn't exist any more. …”
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Characterization of the Interaction of a Novel Anticancer Molecule with PMMA, PCL, and PLGA Polymers via Computational Chemistry by Edwar D. Montenegro, Jamylle M. Nunes, Igor F. S. Ramos, Renata G. Almeida, Eufrânio N. da Silva Júnior, Márcia S. Rizzo, Edson C. da Silva-Filho, Alessandra B. Ribeiro, Heurison S. Silva, Marcília P. Costa

“…Spartan 14 optimized the compounds using density functional theory (DFT), while ArgusLab performed docking, and Discovery Studio analyzed post-docking results. …”
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Tracing the origin of Traditional Chinese Medicine diet nursing (中医饮食护理溯源) by WANG Yali (王亚丽), ZHANG Kaiye (张凯烨), TANG Ling (唐玲), WEI Yongchun (魏永春), E Haiyan (鄂海燕), JIANG Jing (姜婧)

“…On the basis of thousands of years of practice, TCM diet nursing has gradually formed its unique theoretical system and effectively guided people's life practice. …”
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Hydrologic response and prediction of future water level changes in Qinghai Lake of Tibet Plateau, China by Haibin Wang, Jiahong Liu, Zhuoran Luo, Sana Nazli, Lu Shi

“…To comprehensively analyze the changes in Qinghai Lake's water level and forecast its future trends, this study employs the hydrothermal coupling equilibrium theory to quantify the impact of various climate change factors. …”
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Diversity of lithophytic moss species in karst regions in response to elevation gradients. by Yalin Jin, Xiurong Wang

“…The findings can enrich the theory of the distribution pattern of lithophytic moss species diversity at distinct elevation gradients in karst regions, and serve a scientific and reasonable reference for restoring rocky desertification and protecting biodiversity there.…”
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Conventional and complementary alternative medicine therapies for renal anemia: a literature review by Ching-Ming Lu, Ching-Ming Lu, Yuan-Hsuan Hsu, Yuan-Hsuan Hsu, I-Hsin Lin, Ko-Lin Kuo, Jian-Fu Liao, Hui-Fen Huang, Hui-Fen Huang, Ping-Hsun Lu, Ping-Hsun Lu

“…This discussion focuses on the hypoxia-inducible factor prolyl hydroxylase domain (HIF-PHD) axis theory, from lab research to clinical applications. …”
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Efficient amine-assisted CO2 hydrogenation to methanol co-catalyzed by metallic and oxidized sites within ruthenium clusters by Desheng Su, Yinming Wang, Haoyun Sheng, Qihao Yang, Dianhui Pan, Hao Liu, Qiuju Zhang, Sheng Dai, Ziqi Tian, Zhiyi Lu, Liang Chen

“…., metallic and oxidized Ru), are rationally fabricated. Density functional theory calculations suggest that metallic Ru forms are preferred for N-formylation step, whereas oxidized Ru species demonstrate enhanced amide hydrogenation activity. …”
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Clinical Guidelines for Acupotomy Treatment of Knee Osteoarthritis by Working Group of Acupotomy Medical Branch of China Association of Chinese Medicine, XIU Zhongbiao, CHEN Changxian, ZHANG Jianxin, LV Yanan, WEI Song, ZHOU Yu, WAN Quanqing, ZENG Weiquan, CHEN Guoqiang, HUANG Huirong, CAI Zhaolian, YAN Guohong, ZHAI Hongye, LIN Huayang, LIU Hong, ZHANG Liangzhi

“…Acupotomy treatment is an effective in treating knee osteoarthritis, it is based on the theory of acupotomy medicine, it uses an acupotomy as a treatment tool, piercing the human body with a needle, and exe- rting the therapeutic effects of the acupotomy in the human body. …”
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Influence de la perlite sur le comportement mécanique, l’absorption capillaire et la conductivité thermique des mortiers by Omar Belaribi, Omar Safer, Nadia Belas, Khalil Belguesmia, Rachid Hadj Sadok

“…Les comportements des cinq formulations à l’état frais (consistance, maniabilité et prise) et à l’état durci (absorption capillaire, propriétés thermo-physiques et résistances à la compression) ont été étudiés.  …”
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