A Theoretical Study of Structural, Electronic, and Vibration Properties of Acetylcholine Chloride and Bromide by Kirill A. Gordienko, Aleksei B. Gordienko, Yurii N. Zhuravlev

“…The theoretical analysis was based on the density functional theory (DFT) with gradient Perdew-Burke-Ernzerhof exchange-correlation functional (PBE) and a semi-empirical scheme for dispersion-accounting density functional (DFT+D3). …”
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Impact of High Levelized of Magnetic Field and Nanoparticles on Jeffery–Hamel Flow in Converging and Diverging Channels Based on RBF‐QLM by Ali Hassani, Elham Tayari, Mohammad Mohsen Peiravi, Davood Domiri Ganji

“…Effects of multivariable parameters are analyzed on magnetic field, nanoparticles volume fraction, and angle of converging and diverging channels. The obtained results show that at angles or Reynolds number of greater in divergent channels, backflow occurs so the high levelized of magnetic field eliminates this phenomenon. …”
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Propuesta de modelo predictivo de riesgo de lesión en base a descriptores anatómicos y funcionales que se relacionan con la inestabilidad articular en rodilla y tobillo en jugadore... by Claudio Mauricio San Martín Barra, Germán Rojas Cabezas, Jennifer Troc Gajardo

“…Results: - (p = .000) Valgus knee stress establishes a significant association with postural angle in the knee and ankle and functional variables of take-off; level of discrimination based on model 82% (CC = .820). - (p = .000) Ankle valgus stress establishes a significant association with the knee and ankle angle, functional variables of take-off; level of discrimination based on model 71.3% (CC = .713). - (p = .000) General risk establishes a significant association with the knee angle, take-off and landing functional variables; ankle strategy; level of discrimination of the model 83.5% (CC = .835). …”
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Small object detection in complex open-pit mine backgrounds based on improved YOLOv11 by ZHU Yongjun, CAI Guangqi, HAN Jin, MIAO Yanzi, MA Xiaoping, JIAO Wenhua

“…Small object detection in open-pit mines faces challenges such as wide viewing angles and long detection distances, which result in small target imaging. …”
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Atmospheric Circulation Conditions During Spring Frosts in Southeastern Poland (1981–2023) by Piotr Piotrowski, Krzysztof Bartoszek

“…Atmospheric circulation conditions during frosts were analyzed using the HYSPLIT model (backward trajectory clusters) and empirical orthogonal functions (EOFs). EOFs were used to identify pressure distributions at the 850 hPa level that favor the occurrence of spring frosts. …”
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Experimental and Theoretical Characterization, In Silico and In Vitro Studies of (E)-1-(5-Nitrothiophen-2-yl)-N-(2-(Trifluoromethyl)Phenyl)Methanimine by Seyhan Öztürk

“…The structure of the compound was optimized using the B3LYP hybrid functional with the basis set 6-31G(d,p). The compound’s theoretical and experimental parameters (bond length, bond angle, molecular orbital energies, electronic transitions, and vibration frequencies) were compared with each other which are in close agreement. …”
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The effect of in-situ electrochemical grafting of KH-792 onto carbon fibers on surface properties by Yan-lin Li, Chong-pan Ma, Xiao-lei Sun, Qi-hang Lou, Yuan-jian Tong, Yu Wang

“…Electrochemical grafting and acid ion etching lead to a slight decrease in the degree of graphitization (R) of carbon fibers, but the mechanical properties remain stable After treatment with KH-792 under 3 mA·cm−2 current density conditions, KH-792 treatment resulted in a peak of active functional group content on the surface of carbon fibers. …”
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Investigation of Elastic Properties of Sc Doped AlN: A <i>First principles</i> and Experimental Approach by Jyothilakshmi Rudresh, N. V. Srihari, Suhas Kowshik, Sandeep, K. K. Nagaraja

“…The XRD peaks of Sc doped AlN thin films have shifted to a lower angle than pristine AlN, indicating elastic softening/tensile stress in grown thin films. …”
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Open surgery and minimally invasive repair of acute Achilles tendon rupture: stratified outcomes based on immobilization duration in a prospective cohort study by Yuan Cao, Xiuzhi Li, Zengzhen Cui, Yang Lv, Gao Si

“…The primary outcomes were postoperative complications, while secondary outcomes included recovery times for Achilles tendon function. Data regarding the operative times, incision lengths, the visual analog scale (VAS) score, the Achilles tendon Total Rupture Score (ATRS), and the American Orthopaedic Foot and Ankle Society (AOFAS) Ankle-Hindfoot Scale score, and the relative Achilles tendon resting angle (ATRA) were also collected. …”
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Integrated Assessment of Gait and Spinal Kinematics Using Optoelectronic Motion Analysis Systems: Validation and Usability Assessment of a Novel Protocol by Luigi Piccinini, Luca Emanuele Molteni, Daniele Panzeri, Ettore Micheletti, Giovanni Pintabona, Giuseppe Andreoni

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Theoretical Insights into the Activation and Conversion of Electrochemical CO2 Reduction on 3d Transition Metal‐Doped Cu(111) Stepped Structures by Lihong Yin, Jinxian Feng, Weng Fai Ip, Guangfu Luo, Hui Pan

“…To overcome this limitation, we designed Cu stepped structures to create highly reactive sites for enhanced CO2 adsorption and further doped the edges with 3d transition metals (V, Cr, Mn, Fe, Co, and Ni) to improve CO2 reduction. Density functional theory calculations reveal that these dopants significantly reduce the OCO angles and elongate the CO bonds, transforming CO2 from its original linear configuration into a bent geometry at the interface. …”
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The Coordination of Lanthanide Atoms with Stone–Wales Defects on Graphene: A Cluster DFT Analysis Using ECP Pseudopotentials by Vladimir A. Basiuk, Elena V. Basiuk

“…Within the frame of density functional theory, we used the computational methodology of the PBE-D2/DNP theoretical level using ECP pseudopotentials. …”
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Dynamic Light Path and Bidirectional Reflectance Effects on Solar Noise in UAV-Borne Photon-Counting LiDAR by Kuifeng Luan, Jinhui Zheng, Wei Kong, Weidong Zhu, Lizhe Zhang, Peiyao Zhang, Lin Liu

“…We propose BNR-B, a bidirectional reflectance distribution function (BRDF)-based noise model that integrates solar-receiver geometry with micro-facet scattering dynamics. …”
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Dynamic responses of an inclined FGSW beam traveled by a moving mass based on a moving mass element theory by Tran Thi Thom, Nguyen Dinh Kien, Le Thi Ngoc Anh

“… Dynamic analysis of an inclined functionally graded sandwich (FGSW) beam traveled by a moving mass is studied. …”
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Buckling Analysis of Sandwich Timoshenko Nanobeams with AFG Core and Two Metal Face-Sheets by Masoumeh Soltani

“…The section of the considered beam element is composed of two metal face layers and an axially functionally graded (AFG) core. The power volume fraction law is utilized to describe the properties of spatially graded materials of the core. …”
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Predictive relevance of optical coherence tomography indices in conjunction with visual acuity and surgical outcomes of idiopathic macular hole by Sonu Kumar, G Nageswar Rao, Nidhi Sinha, Bhumika Rath, Sabya Sachi Pattanayak, Arttatrana Pal

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Improvement in Biological Performance of Poly(Lactic Acid)-Based Materials via Single-Point Surface Modification with Glycopolymer by Viktor Korzhikov-Vlakh, Ekaterina Sinitsyna, Kirill Arkhipov, Mariia Levit, Evgenia Korzhikova-Vlakh, Tatiana Tennikova

“…The developed single-point polymer grafting approach provided the efficient functionalization with a grafting density in the range of 5–23 nmol/cm². …”
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Electric dipole polarizability constraints on neutron skin and symmetry energy by Peter von Neumann-Cosel, Peter von Neumann-Cosel, Atsushi Tamii

“…The discussion focuses on recent experiments using relativistic Coulomb excitation in inelastic proton scattering at extreme forward angles covering a mass range from 40Ca to 208Pb. Constraints on the neutron skins and the density dependence of the symmetry energy are derived from a systematic comparison to calculations based on density functional theory (DFT) and ab initio methods utilizing interactions derived from chiral effective field theory (χEFT). …”
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Relationships Between Muscle Activation and Thoraco-Lumbar Kinematics in Direction-Specific Low Back Pain Subgroups During Everyday Tasks by Rebecca Hemming, Alister du Rose, Liba Sheeran, Valerie Sparkes

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Computational exploration of a chlorinated tetrahydroisoquinoline: Geometry, reactivity, noncovalent interactions, and molecular docking evaluation by Mouslim Messali, Gaurav Jhaa, Awad A. Alrashdi, Han-seung Lee, Savaş Kaya, Abdelaziz Sabik, Murad M.A. Abualrejal, Hassane Lgaz

“…These results offer an integrated view of structure, reactivity, and physical properties, guiding prospective functional derivatization of tetrahydroisoquinoline-based molecules.…”
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