Exploring the impact of deleterious missense nonsynonymous single nucleotide polymorphisms in the DRD4 gene using computational approaches by Dipto Kumer Sarker, Pallobi Ray, Fayad Bin Abdus Salam, Shaikh Jamal Uddin

“…Both the V116D and I129S variants demonstrated significantly high RMSD, Rg, and SASA, and low thermodynamic stability. The F201S-dopamine complex exhibited lower compactness and higher motions, along with a significant loss of hydrogen bonds and active site interactions. …”
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Adjustment of condensing temperature of the vapor-compression heat pump based on a reciprocating long-stroke compressor stage at fixed temperatures of receiving coolant by V. L. Yusha, A. Yu. Gromov, P. V. Ushakov

“…A technique has been developed for determining the thermodynamic efficiency of an ideal heat pump with various methods of adjustment of the condensing temperature. …”
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Investigation of the Ternary System, Water/Hydrochloric Acid/Polyamide 66, for the Production of Polymeric Membranes by Phase Inversion by Jocelei Duarte, Camila Suliani Raota, Camila Baldasso, Venina dos Santos, Mara Zeni

“…The starting point for the preparation of polymeric membranes by phase inversion is having a thermodynamically stable solution. Ternary diagrams for the polymer, solvent, and non-solvent can predict this stability by identifying the phase separation and describing the thermodynamic behavior of the membrane formation process. …”
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An exploration of RSM, ANN, and ANFIS models for methylene blue dye adsorption using Oryza sativa straw biomass: a comparative approach by Sheetal Kumari, Smriti Agarwal, Manish Kumar, Pinki Sharma, Ajay Kumar, Abeer Hashem, Nouf H. Alotaibi, Elsayed Fathi Abd-Allah, Manoj Chandra Garg

“…The equilibrium data exhibited a superior fit with the Langmuir isotherm model in comparison to the Freundlich model. The thermodynamic adsorption parameters, including (∆G = -9.1489 kJ/mol), enthalpy change (∆H = -1457.2 kJ/mol), and entropy change (∆S = -19.03 J mol−1 K−1) indicated that the adsorption of MB onto the OSSB surface is exothermic and spontaneous under the experimental conditions. …”
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Removing boron from metallurgical grade silicon by a high basic slag refining technique by Wu J.J., Xu M., Liu K.B., Ma W.H., Yang B., Dai Y.N.

“…It showed that the oxidizability of calcium sillicate slag was affected and restricted by the basicity and the mass ratio of acid oxide SiO slag according to the thermodynamic relationship. The boron concentration in MG-Si can be reduced from 18x10-6 to 4.5x10-6 and 1.4x10-6, respectively, when using the ternary slags 40.5%CaO-49.5%SiO2-10%Li2O and 32CaO-38%SiO2-30%Li2O.…”
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Treatment of Yellow Phosphorus Slag and Reuse of It as an Absorbent of Chromium (VI) Ions and Methylene Blue by Van Hai Nguyen, Van Chien Nguyen, Thuy Chinh Nguyen, Do Mai Trang Tran, Thi Thu Trang Nguyen, Quoc Trung Vu, Duy Trinh Nguyen, Hoang Thai

“…The adsorption isotherm of MB adsorption process is complied with the Langmuir isotherm while the adsorption kinetic fits well with the pseudo-second-order reaction model. The thermodynamic parameters of MB adsorption processed on YPS2 were calculated and discussed.…”
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Computational Analysis of an Ammonia Combustion System for Future Two-Stroke Low-Speed Marine Engines by Jose R. Serrano, Ricardo Novella, Héctor Climent, Francisco José Arnau, Alejandro Calvo, Lauge Thorsen

“…This paper presents a comprehensive methodology for the development and validation of a thermodynamic model for a two-stroke low-speed marine engine incorporating a hybrid ammonia-diesel diffusion combustion system. …”
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The prospect of using ozone-safe refrigerants with low global warming potential in scroll compressors. Part 1 by V. A. Pronin, A. V. Kovanov, E. A. Kalashnikova, V. A. Tsvetkov

“…Having studied the possibility of using new refrigerants, in the fields of using a scroll compressor, from the point of view of the operational properties of substances, we also noted some aspects of the influence of their thermodynamic and thermophysical properties on the working processes and design of compressor elements. …”
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Impact of Ozone Valley over the Tibetan Plateau on the South Asian High in CAM5 by Zhenkun Li, Hao Qin, Dong Guo, Shunwu Zhou, Ying Huang, Yucheng Su, Linwei Wang, Yang Sun

“…Adiabatic expansion and ascending movement mainly bring about temperature decrease in SAH after OVTP removal, but the thermodynamic process related to radiative heating offsets part of the cooling response.…”
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White M. T., Read M. G., Sayma A. I. Comparison between single and cascaded organic Rankine cycle systems accounting for the effects of expansion volume ratio on expander performan... by M. A. Fedorova

“…To investigate this, thermodynamic models for single-stage and cascaded ORC systems are developed, which include variable efficiency expander models for both radial turbines and twin-screw expanders that can estimate the effect of the expansion volume ratio on the expander isentropic efficiency. …”
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Green Synthesis of Nanostructure CeO2 Using Tea Extract: Characterization and Adsorption of Dye from Aqueous Phase by Chengshun Liu, Xiyao Liu, Yilin Wu, Zhuotong Chen, Zhuanrong Wu, Shumao Wang, Hua Han, Zhenbang Xie, Yixuan Wang, Tzu-Hsing Ko

“…The isotherm analysis revealed that the Freundlich and D-R models fit well for the synthesized CeO2 and represent physisorption with a multilayer mechanism. The thermodynamic parameters, including the changes in Gibb’s free energy, enthalpy, and entropy, suggested that the adsorption of CR on the synthesized CeO2 sample was a spontaneous and endothermic process.…”
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Divergent Adsorption Regulation in Metal–Organic Frameworks for Highly Efficient CF4/C2F6 Separation by Guihong Xu, Tian Ke, Rongrong Fan, Kaiyuan Tan, Wenjun Zhang, Baogen Su, Zhiguo Zhang, Zongbi Bao, Qilong Ren, Qiwei Yang

“…Abstract The efficient removal of low‐concentration components from homologous mixtures is often hampered by the co‐directional effect of traditional thermodynamic regulation approaches, typically leading to a trade‐off between adsorption capacity and selectivity. …”
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Evolution of local heterogeneity towards flat free energy landscape: Optimization of piezoelectric response in PNN-PZ-PT at morphotropic phase boundary by Shubham Modgil, Varun Kamboj, Mukul Kumar, Arun Kumar Singh, Shobhna Dhiman, Gyaneshwar Sharma, OP Thakur, Sanjeev Kumar

“…A precisely specified compositional landscape of two distinct ferroelectric systems – morphotropic phase boundary (MPB) – possesses ultrahigh piezoelectricity, where generically a flat energy profile is favoured under thermodynamic consideration. A more exotic and technologically appealing phase is unlocked when ternary-based morphotropic phase boundary compositions are formulated via revisiting the thermal and compositional stability. …”
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Sustainable CO₂ Capture: N,S-Codoped Porous Carbons Derived from Petroleum Coke with High Selectivity and Stability by Jiawei Shao, Yingyi Wang, Mingyang Che, Ya Liu, Yongfu Jiang, Qiang Xiao, Muslum Demir, Linlin Wang, Xin Hu

“…Adsorption kinetics showed 90% of equilibrium uptake was achieved within 5 min, while cyclic studies revealed excellent stability with 97% capacity retention after five cycles. Thermodynamic analysis indicated moderate isosteric heat of adsorption (<i>Q_st</i>) values ranging from 18 to 47 kJ/mol, ensuring both strong adsorption and efficient desorption. …”
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Microstructural characterization of corrosion resistant Zn–15Al–6Mg–0.4Si galvanized coating by Yoonje Sung, Changmin Kang, Junho Lee, Seonghyun Park, Sang-Hwa Lee, Jae-Taek Im, Seok-Jae Lee, HeeJin Jang, Jae-Gil Jung

“…A complex microstructure of the Zn–15Al–6Mg–0.4Si coating layer with excellent hardness and corrosion resistance was investigated by performing thermodynamic calculations, X-ray diffraction, scanning electron microscopy, and transmission electron microscopy. …”
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The effect of electroslag remelting on the cleanliness of CrNiMoWMnV ultrahigh-strength steels by Ali M., Porter D., Kömi J., Heikkinen E.P., Eissa M., El Faramawy H., Mattar T.

“…Cast ingots were forged at temperatures between 1100 and 950°C, air cooled, and their non-metallic inclusions (NMIs) were characterized using field emission scanning electron microscopy and laser scanning confocal microscopy. Thermodynamic calculations for the expected NMIs formed in the investigated steels with and without ESR were performed using FactSage 7.2 software while HSC Chemistry version 9.6.1 was used to calculate the standard Gibbs free energies (ΔG°). …”
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Ecotoxicity of lanthanides to Daphnia magna: insights from elemental behavior and speciation in a standardized test medium by Vignati, Davide A.L., Martin, Loïc A., Poirier, Laurence, Zalouk-Vergnoux, Aurore, Fouque, Chantal, Bojic, Clément, Hissler, Christophe, Cossu-Leguille, Carole

“…Experimental data show that exposure concentrations can decrease by up to 95 % over the test duration, with the percentage decrease being inversely related with LN atomic mass. Thermodynamic speciation calculations confirm the possible formation of insoluble species, mainly LN carbonates. …”
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A New Nanocomposite for Inducing Demineralized Dentin Remineralization by Ban G, Long J, Yan K, Li Q, Huang X, Wei X, Xie F

“…Furthermore, significant remineralization features of collagen fibers were observed in the peritubular dentin of the PAMAM-COOH/ACMP-MDP group as evidenced by TEM.Conclusion: The PAMAM-COOH/ACMP-MDP ethanol solution exhibits thermodynamic stability, uniform dispersion, and the capability to induce remineralization of demineralized dentin collagen fibers. …”
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Stability of compact stars in a uniform density background cloud by Ksh. Newton Singh, S. K. Maurya, A. Errehymy, O. Donmez, K. Myrzakulov, T. T. Smitha

“…We found that for $$\alpha < 3 \times 10^{-5}$$ α < 3 × 10 - 5 , all the thermodynamic quantities are well-behaved, indicating a stable configuration. …”
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Discrimination of Selected Cold-Pressed and Refined Oils by Untargeted Profiling of Phase Transition Curves of Differential Scanning Calorimetry by Mahbuba Islam, Montowska Magdalena, Fornal Emilia, Tomaszewska-Gras Jolanta

“…In the case of refined oils, two endothermic peaks were detected for rapeseed oil, three for sunflower oil and four for soybean oil. Thermodynamic parameters, such as peak temperature, peak heat flow and enthalpy, differed for each type of oil. …”
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