Influence of PODE1 additive into ethanol-gasoline blends (E10) on fuel properties and phase stability by Awad, Omar I., Zhou, Bo, Chen, Zhenbin, Kadirgama, Kumaran, Mohammed, M. N., Devarajan, Ramasamy

“…Polyoxymethylene dimethyl ethers (PODEn, n = 1–8) as an oxygenated fuel are a promising alternative fuel with a high oxygen concentration, a low C:H ratio, and no C–C bonds in their chemical structure. This could lead to smoke-free combustion. …”
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Tuning the shear thickening of suspensions through surface roughness and physico-chemical interactions by Bourrianne, Philippe, Niggel, Vincent, Polly, Gatien, Divoux, Thibaut, McKinley, Gareth H.

“…We show here that both properties matter when it comes to continuous shear thickening (CST) and that the presence of hydrogen bonds between the particles is essential to achieve discontinuous shear thickening (DST) by enhancing solid friction between closely contacting particles. …”
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Iridium Oxide Coordinatively Unsaturated Active Sites Govern the Electrocatalytic Oxidation of Water by Velasco Vélez, Juan Jesús, Bernsmeier, Denis, Mom, Rik V., Zeller, Patrick, Shao‐Horn, Yang, Roldan Cuenya, Beatriz, Knop‐Gericke, Axel, Schlögl, Robert, Jones, Travis E.

“…Rather, the formation of µ<jats:sub>1</jats:sub>‐O species, which are active in O−O bond formation during the OER, is the most oxidized oxygen species observed, which is consistent with an O−O rate‐limiting step. …”
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Rapid prediction of conformationally-dependent DFT-level descriptors using graph neural networks for carboxylic acids and alkyl amines by Haas, Brittany C, Hardy, Melissa A, Sowndarya S. V., Shree, Adams, Keir, Coley, Connor W, Paton, Robert S, Sigman, Matthew S

“…Employing 2D and 3D graph neural network architectures trained on these libraries culminated in the development of predictive models for molecule-level descriptors, as well as the bond- and atom-level descriptors for the conserved reactive site (carboxylic acid or amine). …”
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Theoretical prediction of the linear isomers for rare gas-carbon disulfide complexes : He-CS2, Ne-CS2, and Ar-CS2 by Zang, Limin, Dai, Wei, Zheng, Limin, Duan, Chuanxi, Lu, Yunpeng, Yang, Minghui

“…Three two-dimensional intermolecular PESs are constructed from ab initio data points which are calculated at the CCSD(T) level with aug-cc-pVTZ basis set supplemented with bond functions. We find that the three PESs have very similar features and each PES can be characterized by a global T-shaped minimum, two equivalent local linear minima, and the saddle points between them. …”
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The corrosion of stirrups and its effect on the seismic fragility of a corroded reinforced concrete (RC) column by Zhang, Guanghui, Li, Bing

“…The objectives of this paper will be to focus on how to use FEM software to numerically simulate the seismic behaviour of corroded columns accounting for materials deterioration and bond degradation. Pushover curves shown that a transverse rebar corrosion level above 10% could reduce the seismic capacity of columns by a great extent. …”
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Amorphous Fe-Ni-P-B-O nanocages as efficient electrocatalysts for oxygen evolution reaction by Ren, Hao, Sun, Xiaoli, Du, Chengfeng, Zhao, Jin, Liu, Daobin, Fang, Wei, Kumar, Sonal, Chua, Rodney, Meng, Shize, Kidkhunthod, Pinit, Song, Li, Li, Shuiqing, Madhavi, Srinivasan, Yan, Qingyu

“…The FNPBO nanocages composed of multicomponent elements can weaken the metal–metal bonds, thus rearranging the electron density around the catalytic metal atom centers and reducing the energy barrier for intermediate formation. …”
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Elucidating the strain–vacancy–activity relationship on structurally deformed Co@CoO nanosheets for aqueous phase reforming of formaldehyde by Qian, Kaicheng, Yan, Yong, Xi, Shibo, Wei, Tong, Dai, Yihu, Yan, Xiaoqing, Kobayashi, Hisayoshi, Wang, Sheng, Liu, Wen, Li, Renhong

“…Mechanistic investigations by spectroscopic measurements and density functional theory calculations elucidate the bifunctional nature of the oxygen-vacancy-rich Co-CoO interfaces, where the Co and the CoO sites are responsible for CH bond cleavage and OH activation, respectively. Optimal catalytic activity is achieved by the sample reduced at 350 °C, Co@CoO-350 which exhibits the maximum concentration of Co-CoO interfaces, the maximum concentration of oxygen vacancies, a lattice strain of 5.2% in CoO, and the highest aqueous phase formaldehyde reforming turnover frequency of 50.4 h-1 at room temperature. …”
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Boundary theories of critical matchgate tensor networks by Jahn, Alexander, Gluza, Marek, Verhoeven, Charlotte, Singh, Sukhbinder, Eisert, Jens

“…We provide a direct identification of correlation functions of ground and low-energy excited states between the disordered and translation-invariant models and give numerical evidence that the former approaches the latter in the large bond dimension limit. This establishes tensor networks on regular hyperbolic tilings as an effective tool for the study of conformal field theories. …”
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In situ synthesis and microfabrication of high entropy alloy and oxide compounds by femtosecond laser direct writing under ambient conditions by Hegde, Chidanand, Lim, Joel Chin Huat, Teng, Tan Hui, Liu, Daobin, Kim, Young-Jin, Yan, Qingyu, Li, Hua

“…During the illumination, dried precursor ink is transformed to MMO/alloys and is simultaneously bonded to the substrate. The formulation of the alloy and MMO precursor ink for laser processing is universally applicable to a large family of oxides and alloys. …”
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Synthesis of fluorescent citric acid carbon dots composites derived from empty fruit bunches of palm oil tree and its anti-bacterial property by Pramudita, Rufina, Marpongahtun, Gea, Saharman, Daulay, Amru, Harahap, Mahyuni, Tan, Yong Zen, Goei, Ronn, Tok, Alfred Iing Yoong

“…The resulting belongs to the n-π* transition of carbonyl groups and C–N bonds. Maximum emission peak was observed at 450 nm excitation wavelength with a gradual decrease in intensity from 350 nm to 310 nm. …”
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Asymmetric prefrontal cortex activation associated with mutual gaze of mothers and children during shared play by Azhari, Atiqah, Bizzego, Andrea, Balagtas, Jan Paolo Macapinlac, Leng, Kelly Sng Hwee, Esposito, Gianluca

“…Mother–child shared play provides rich opportunities for mutual symmetrical interactions that serve to foster bond formation in dyads. Mutual gaze, a symmetrical behaviour that occurs during direct eye contact between two partners, conveys important cues of social engagement, affect and attention. …”
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A porous TiC supported nanostructured complex metal oxide ceramic electrode for oxygen evolution reaction by Yang, Jianye, Wu, Kai, Li, Xing, Wang, Xuejiao, Pi, Guangguang, Fang, Wei, Yan, Qingyu

“…To meet this challenge, a novel binder-free electrode consisted of perovskite Sr2Fe1.4Ni0.1Mo0.5O6-δ (SFNMO) nanofibers or spinel NiCo2O4 (NCO) nanosheets tightly bonded on a porous TiC substrate has been developed to catalyze the oxygen evolution reaction in alkaline water electrolysis. …”
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Three-component Friedel-Crafts-type difunctionalization of ynamides with (hetero)arenes and iodine(iii) electrophile by Kikuchi, Jun, Nagata, Toya, Ito, Shingo, Yoshikai, Naohiko

“…This transformation is particularly challenging with respect to the stereochemical control, as the pivotal intermediate, the electrophile-bound keteniminium ion, can inherently undergo nucleophilic attack from either side of the cumulated double bonds. Here, we report the development of a three-component difunctionalization of ynamides with a cationic iodine(iii) electrophile (benziodoxole triflate) and electron-rich (hetero)arenes that consistently displays trans-selectivity irrespective of the steric profiles of the ynamide and the arene. …”
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Electrochemical oxidation of C3 saturated alcohols on Co3O4 in alkaline by Sun, Shengnan, Sun, Libo, Xi, Shibo, Du, Yonghua, Anu Prathap, M.U., Wang, Zilong, Zhang, Qichun, Fisher, Adrian, Xu, Zhichuan Jason

“…The NMR analysis of the oxidized products showed that C-C bond cleavage occurred faster in alcohols having adjacent hydroxyl groups. …”
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Synthesis and characterization of poly (Ethylene Glycol) dimethacrylate-based bionanocomposites with hydroxyapatite from rohu fish (Labeo rohita) bones by Inam, Bushra, Jamila, Nargis, Khan, Naeem, Nishan, Umar, Rauf, Aleesha, Shujah, Shaukat, Shah, Azhar Ul Haq Ali, Ibrahim, Mohamed A., Kim, Kyong Su

“…The FTIR results confirmed the disappearance of carbon-to-carbon double bonds due to the successful free radical polymerization reaction. …”
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Effect of B2O3 on the physical and mechanical properties of calcium fluoroaluminosilicate glass system by Mohammed Efa, Abdelkader, Matori, Khamirul Amin, Mohd Zaid, Mohd Hafiz, Che Abdullah, Che Azurahanim, Zainuddin, Norhazlin, Mayzan, Mohd Zul Hilmi, Kamis, Shahira Liza

“…The incorporation of B2O3 into the glass structure was further supported by the emergence of B‒O‒B and Si‒O‒B bonds observed in FTIR spectroscopy, which may potentially influence the glass's dissolution and degradation characteristics. …”

Optimal balance: alkali metal-doped boron carbide nanosheets achieve superior stability and nonlinear optical responsiveness by Yaqoob, Junaid, AlMohamadi, Hamad, Khan, Asim Laeeq, Yasin, Muhammad

“…According to NBO (natural bond orbital) analysis, the alkali metals gain almost +1 charge. …”
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Polydopamine nano-hybrids : interfacial and photoactive role in epoxy nanocomposites and polymerization by Subramanian, Alamelu Suriya

“…The results showed as much as 100% improvement in lap shear strength compared to unfilled epoxies bonded on aluminum substrates. Cohesive mode failure was also observed. …”
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Hamilton's principle and delta neutral portfolio by Taufan Rusli.

“…The inclusion of arbitrage profit explains why investors will want to invest in delta neutral portfolio over a risk-free government bond investment and can be used as a more accurate yardstick for making investment decision. …”
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