Spectroscopic, DFT, anti-bacterial, and in-silico investigations of novel semicarbazone and thiosemicarbazone synthesised from asymmetrical chalcones by Nikita Sharma, Har Lal Singh

“…The findings suggested that thiosemicarbazones and semicarbazones possess favorable interaction patterns and binding energies. The biological capacity of each molecule to inhibit bacterial strains exhibited variability in the evaluation of the compounds' in vitro antibacterial efficacy. …”
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Green Synthesis of Silver Nanoparticles Using Catharanthus roseus Flower Extracts and the Determination of Their Antioxidant, Antimicrobial, and Photocatalytic Activity by Mathivathani Kandiah, Kavishadhi N. Chandrasekaran

“…The SEM image of purple flower AgNPs and the calculated bandgap energies of the synthesized AgNPs showed that the synthesized AgNPs were in the range of 0–30 nm. …”
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Comprehensive Assessment of Biomolecular Interactions of Morpholine-Based Mixed Ligand Cu(II) and Zn(II) Complexes of 2,2′-Bipyridine as Potential Anticancer and SARS-CoV-2 Agents:... by Karunganathan Sakthikumar, Rui Werner Maçedo Krause, Bienfait Kabuyaya Isamura

“…These observed binding energies fell within the following ranges: −7.7 to −8.6, −7.2 to −10.2, and −6.7 to −8.2 kcal/mol, respectively. …”
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Discoloration Effects of High-Dose γ-Irradiation and Long-Term Thermal Aging of (U)HMW-PE by Anja Kömmling, Emmanouil Chatzigiannakis, Jörg Beckmann, Volker Wachtendorf, Kerstin von der Ehe, Ulrike Braun, Matthias Jaunich, Ulrich Schade, Dietmar Wolff

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Piano Works by Dora Pejačević – A Personal Perspective of an Interpreter by Kyra Steckeweh

“…This dual focus highlights Pejačević’s ability to channel her emotional and intellectual energies into a musical language that is both deeply personal and universally resonant. …”
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The Iriba alkaline basalts, an expression of mantle-derived Cretaceous magmatism of the Cameroon-Chad volcanic line along the Central Africa Rift System by Djerossem, Félix Nenadji, Mbassa, Benoît Joseph, Vanderhaeghe, Olivier,  Gregoire, Michel

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Structural, morphological and biological assessment of magnetic hydroxyapatite with superior hyperthermia potential for orthopedic applications by Smrithi Saroj, U. Vijayalakshmi

“…The UV–Vis spectra confirmed the reduction in the band gap energies owing to the substitution of iron. The SEM results showed a change in the shape of the samples with increasing iron concentration. …”
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Herb5GluCon: A novel polyherbal formulation with dual-action inhibiting properties against oxidative stress and glycoside hydrolases – an in silico and in vitro approach by Abbirami Balachandran, Patrick N. Okechukwu, Baskaran Gunasekaran, Jeleń Małgorzata, Beata Morak-Młodawska, Gabriele R.A. Froemming, Sameer Sapra, Charlie A. Lavilla, Jr., Merell P. Billacura, Salini D. Rajendran, Anis Najwa Abdul Rani, Anand Gaurav

“…Results: All compounds showed strong binding energies to AA and AG. The antioxidant assays revealed a strong radical-scavenging property of Herb5GluCon with strong IC50 values, respectively. …”
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N-Terminal Region of GbIspH1, Ginkgo biloba IspH Type 1, May Be Involved in the pH-Dependent Regulation of Enzyme Activity by Bok-Kyu Shin, Joong-Hoon Ahn, Jaehong Han

“…However, catalytic activation energies (Ea) of GbIspH1-full and GbIspH1-truncated were almost the same with 36.5 ± 1.6 and 35.0 ± 1.9 kJ/mol, respectively. …”
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Efficient adsorption of ofloxacin in a novel nanocomposite formed by nano-hexagonal boron nitride fused with zeolite imidazolite skeleton-8: Experimental and molecular dynamics sim... by Zefang Huang, Yuankai Hong, Yiqun Cui, Huiying Guo, Yan Long, Jinshao Ye

“…Molecular dynamics simulations revealed interaction energies of −109.13 kcal·mol−1 between ZIF-8@h-BN-X and OFL, compared to −84.78 kcal·mol−1 between pure h-BN and OFL, demonstrating the superior adsorption performance of ZIF-8@h-BN-X. …”
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High-time-cadence Spectroscopy and Photometry of Stellar Flares on M dwarf YZ Canis Minoris with the Seimei Telescope and TESS. I. Discovery of Rapid and Short-duration Prominence... by Yuto Kajikiya, Kosuke Namekata, Yuta Notsu, Hiroyuki Maehara, Bunei Sato, Daisaku Nogami

“…We detected 27 H α flares with H α energies ranging from 1.7 × 10 ^29 to 3.8 × 10 ^32 erg and durations from 8 to 319 minutes. …”
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A new luminescent material based on bismuth(III): Synthesis, structural characterization, DFT calculations, Hirshfeld surface, thermal behavior, vibrational and optical properties by Chaima Jridi, Nour Elleuch, Jerome Lhoste, Mohamed Boujelbene

“…The Photoluminescence spectrum shows a green luminescence peak which is attributed to excitonic emissions within the chlorobismuthate octahedron. HOMO-LUMO orbital energies were studied by using DFT calculations.…”
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Evaluation et développement durable :Retour d’expérience de la pratique de l’évaluation à l’ADEME by Eric Plottu

“…Ces évaluations visent à apprécier la pertinence, l’efficacité et l’impact des actions de l’Agence sur l’ensemble de ces champs d’intervention (énergie, déchets, air et transport, développement durable).  …”
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Karakteristik Siswa, Daya Terima, dan Kesesuaian Standar Porsi dengan Angka Kecukupan Gizi pada Penyelenggaraan Makan Siang di SD Al Furqan Kabupaten Jember by Janiyah Intan Fitriani, Sulistiyani

“…Pada siswa perempuan energi, protein, lemak dan karbohidrat kategori tidak sesuai sebanyak 18 menu, 17 menu, 16 menu, 16 menu dan pada siswa laki-laki sebesar 14 menu, 13 menu, 16 menu, 17 menu.  …”
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The effect of platinum-aluminide coating features on high-temperature fatigue life of nickel-based superalloy Rene®80 by Barjesteh M.M., Zangeneh-Madar K., Abbasi S.M., Shirvani K.

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Modelling Seismically Induced Mesothermal Goldfields along the Deep-Rooted Cadillac-Larder Lake Fault, Abitibi, Canada by Pierre Bedeaux, Silvain Rafini, Pierre Pilote, Réal Daigneault

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Impact of integration time steps of rain drop size distribution on their double-moment normalization: a case study in northern Benin by Moumouni, Sounmaïla, Akponi, Fulgence Payot, Zahiri, Eric-Pascal, Lawin, Agnidé Emmanuel, Gosset, Marielle

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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.

“…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°). As a result of ESR the total impurity levels (TIL% = O% + N% + S%) and NMI contents decreased by as much as 46 % and 62 %, respectively. …”
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Microbial-based natural products as potential inhibitors targeting DNA gyrase B of Mycobacterium tuberculosis: an in silico study by Tilal Elsaman, Magdi Awadalla Mohamed, Malik Suliman Mohamed, Eyman Mohamed Eltayib, Abualgasim Elgaili Abdalla

“…Consequently, targeting this enzyme is of particular interest in developing new drugs for the treatment of drug-resistant tuberculosis, including multidrug-resistant tuberculosis (MDR-TB) and extensively drug-resistant tuberculosis (XDR-TB).MethodsIn the present study, multiple computational tools were adopted to screen a microbial-based natural products database (NPAtlas) for potential inhibitors of the ATPase activity of MBT DNA gyrase.Results and discussionTwelve hits were initially identified as the top candidates based on their docking scores (ranging from −9.491 to −10.77 kcal/mol) and binding free energies (−60.37 to −73.21 kcal/mol). Following this, computational filters, including ADME-T profiling and pharmacophore modeling, were applied to further refine the selection. …”
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Modifikasi Perilaku untuk Memperbaiki Profil Kualitas Diet dan Komposisi Tubuh Remaja Santri yang Kelebihan Berat Badan by Intan Sepna Fidiasari, Fillah Fithra Dieny, Arwinda Nugraheni, Etika Ratna Noer

“…Overweight dan obesitas santri terjadi karena rendahnya kualitas diet yang digambarkan dengan ketidaksesuaian asupan makan dengan anjuran dan aktivitas fisik (pengeluaran energi) yang sedikit. Modifikasi perilaku diperlukan untuk memperbaiki profil kualitas diet dan komposisi tubuh. …”
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