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104101por Kaur, Supreet, Barthakur, Abinash, Mohiuddin, Golam, Gupta, Santosh Prasad, Dhara, Surajit, Pal, Santanu Kumar“…The experimental values obtained were very close to the theoretically predicted values for the materials with de Vries-like properties. …”
Publicado 2022
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104103por Huang, Holly Hai Huai, Power, Rosemonde Isabella, Mathews, Karen O., Ma, Gemma C., Bosward, Katrina L., Šlapeta, Jan“…Fleas are known vectors of zoonotic pathogens such as vector-borne Rickettsia spp. and Bartonella spp. and could theoretically transmit Coxiella burnetii, the causative agent of Q fever. …”
Publicado 2021
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104104por Amat-ur-Rasool, Hafsa, Ahmed, Mehboob, Hasnain, Shahida, Ahmed, Abrar, Carter, Wayne Grant“…All heterodimers were theoretically potent AChE and BuChE dual-binding site inhibitors, with the highest affinity achieved with huperzine-4C-naringenin, which displayed 34% and 26% improved affinity to AChE and BuChE, respectively, then the potent ChEI drug, donepezil. …”
Publicado 2021
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104105por Veskovic, Dunja, Ros, Tatjana, Icin, Tijana, Stepanovic, Kristina, Janjic, Nebojsa, Kuljancic, Dusan, Sedlarevic, Sonja, Vlahovic, Dmitar“…Up to now, the only known transcriptional promoters of genes coding TMPRSS2 are androgenic. Theoretically, the elevated level of androgens or androgen receptors would lead to a higher expression of TMPRSS2 and a higher level of viremia as a consequence. …”
Publicado 2022
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104106por Kang, Minqiang, Qiang, Yongfa, Zhu, Canlin, Xiang, Xiangjun, Zhou, Dandan, Peng, Zhitao, Xie, Xudong, Zhu, Qihua“…The thermal field was theoretically investigated in a finite element model. …”
Publicado 2022
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104107“…The critical transformation temperatures of the investigated steel samples were determined experimentally by differential scanning calorimetry (DSC) analysis and theoretically aiding Thermo-Calc software. Types and chemical composition plus volume fraction and starting precipitation temperature of suggested constituents calculated with the aid of Thermo-Calc software. …”
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104108por Ghirardelli, Stefano, Touloupakis, Georgios, Theodorakis, Emmanouil, Antonini, Guido, Violante, Bruno, Indelli, Pier Francesco“…CONCLUSIONS: The modified swashbuckler approach allows anatomical reduction and appropriate fixation with a theoretically reduced severance of the blood supply to the patella and preserves the integrity of extensor mechanism. …”
Publicado 2022
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104109por Truong, Dinh Hieu, Ngo, Thi Chinh, Nhung, Nguyen Thi Ai, Quang, Duong Tuan, Nguyen, Thi Le Anh, Khiri, Dorra, Taamalli, Sonia, Louis, Florent, El Bakali, Abderrahman, Dao, Duy Quang“…Direct and indirect antioxidant activities of rosmarinic acid (RA) based on HOO˙/CH(3)OO˙ radical scavenging and Fe(iii)/Fe(ii) ion chelation were theoretically studied using density functional theory at the M05-2X/6-311++G(2df,2p) level of theory. …”
Publicado 2022
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104110“…We trained machine learning models that predict COVID-19 mortality and morbidity using county-level features and then performed a SHAP value game theoretic importance analysis of the predictive features for each model. …”
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104111por Rahman, Md Ashiqur, Tutul, Abdullah Aman, Abdullah, Sifat Muhammad, Bayzid, Md. Shamsuzzoha“…We have introduced a novel hierarchical referencing technique to represent biomolecular sequences which combines likelihood based analyses of the sequence similarities and graph theoretic algorithms. We performed an extensive evaluation study using a collection of real biological data from the avian phylogenomics project, 1000 plants project (1KP), and 16S and 23S rRNA datasets. …”
Publicado 2022
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104112por Dai, Xili, Tong, Shengbang, Li, Mingyang, Wu, Ziyang, Psenka, Michael, Chan, Kwan Ho Ryan, Zhai, Pengyuan, Yu, Yaodong, Yuan, Xiaojun, Shum, Heung-Yeung, Ma, Yi“…A natural utility function for this game is the so-called rate reduction, a simple information-theoretic measure for distances between mixtures of subspace-like Gaussians in the feature space. …”
Publicado 2022
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104113“…The paper aims to prove that this thesis (“the exceptionalist claim”)—as it stands—is both theoretically incorrect and practically inadequate. Indeed, the paper argues that such claim is based on a series of misunderstanding over the very notion and functions of “legal responsibility”, which it then seeks to clarify by developing and interdisciplinary conceptual taxonomy. …”
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104114“…Because detailed information on the photolytic mechanisms of isolated NH(2)OH is limited both theoretically and experimentally, these results provide fundamental insight into unimolecular photodissociation, posing ground for future studies on related systems.…”
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104115“…Efficient generation of high-energy hot carriers from the localized surface plasmon resonance (LSPR) of noble metal (Ag, Au and Cu) nanoparticles is fundamental to many applications based on LSPR, such as photovoltaics and photocatalysis. Theoretically, intra- and inter-band electron transitions in metal nanoparticles are two important channels for the non-radiative decay of LSPR, which determine the generation rate and energy of hot carriers. …”
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104116“…Inspired by the double-aromatic (σ and π) C(6)H(3)(+), C(6)I(6)(2+), and C(6)(SePh)(6)(2+) ring-shaped compounds, herein we theoretically study their borazine derivative analogues. …”
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104117“…The kinetic and electron density flows are studied theoretically for the gas phase pyrolysis of cubane via its cage opening to reach bicyclooctatriene and then thermal rearrangement of bicyclooctatriene to produce [8]annulene which is the experimentally observed major product. …”
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104118“…The reaction of O(2) with a Ru(13)@Pt(42) core–shell particle consisting of a Ru(13) core and a Pt(42) shell was theoretically investigated in comparison with Pt(55). …”
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104119por Foroughi, Maryam, Zolghadr Nasab, Hassan, Shokoohi, Reza, Ahmadi Azqhandi, Mohammad Hossein, Nadali, Azam, Mazaheri, Ashraf“…Although HA concentration showed the least effect in comparison with three other studied parameters theoretically, the experimental results revealed that Pb(ii) removal is enhanced in presence of HA (73% vs. 81.77%), which was confirmed by SEM/EDX analyses. …”
Publicado 2019
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104120“…To unravel its chemical behavior in combustion, the reaction kinetics of initial decomposition of gamma-valerolactone (GVL) has been investigated theoretically by utilizing ab initio calculations and transition-state-theory based simulations. …”
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