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Journal articles on the topic 'MEP and RDG'

Author: Grafiati

Published: 2 June 2025

Last updated: 31 July 2025

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1

Jumabaev, A., H. Hushvaktov, A. Absanov, B. Khudaykulov, Z. Ernazarov, and L. Bulavin. "Vibrational Spectra and Computational Study of Amyl Acetate: MEP, AIM, RDG, NCI, ELF and LOL Analysis." Ukrainian Journal of Physics 69, no. 10 (2024): 742. http://dx.doi.org/10.15407/ujpe69.10.742.

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This work is focused on biologically active neat amyl acetate and its solutions in ethanol/heptane. According to the experimental results, when the concentration of amyl acetate in the amyl acetate-ethanol solution decreases, the additional band appears on the low-frequency side. The primary reason for the formation of such additional band is the intermolecular hydrogen bonding between amyl acetate and ethanol. In the amyl acetate-heptane solution, as the concentration of amyl acetate in the solution decreases, the band corresponding to the C=O stretching vibrations shifted to a higher frequen

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2

Boudjenane, Fatima, Rachida Rahmani, Youcef Megrouss, Abdelkader Chouaih, and Nadia Benhalima. "DFT theoretical calculations on (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene) benzohydrazide as a methylene tetrahydrofolatereductase inhibitor: An in silico study, molecular docking, and molecular dynamics simulations." Turkish Computational and Theoretical Chemistry 9, no. 1 (2024): 90–114. https://doi.org/10.33435/tcandtc.1493008.

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In this study, (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide (HTBH) was theoretically studied. The B3LYP/6-311G (d,p) level of calculation was used to accomplish the optimal molecular geometry, the global reactivity descriptor parameters, Fukui functions, and molecular electrostatic potential (MEP) parameters. The reduced density gradient (RDG) was used to explore the non-covalent interactions in the molecular system. Furthermore, possible nonlinear optical characteristics were explored. These properties include the electric dipole moment, mean polarizability, and first and

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3

Holikulov, U., and A. Jumabaev. "EXPLORING HYDROGEN BOND NETWORKS IN FORMAMIDE-UREA COMPLEXES." 2022-yil 3-son (133/1) ANIQ FANLAR SERIYASI 1, no. 1 (2025): 63–72. https://doi.org/10.59251/2181-1296.2025.v1.149.2.3295.

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The structural, electronic, and bonding properties of hydrogen-bonded complexes between formamide and urea in different stoichiometric ratios (1:1, 1:2, and 2:1) have been investigated using Density Functional Theory (DFT) method. The study focused on the structural, and electronic, properties of the molecular complexes using molecular electrostatic potential (MEP), frontier molecular orbitals (FMO), quantum theory of atoms in molecules (QTAIM), and Non-covalent interaction-Reduced density gradient (NCI-RDG) analyses. The results revealed hydrogen bonding and charge transfer interactions betwe

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4

Reddy, Tummuri Sudheer, Karreddula Raja, Kishore Reddy Mandapati, Srinivasa Reddy Goli, and Manubolu Surya Surendra Babu. "Efficient Approach for the Synthesis of Aryl Vinyl Ketones and Its Synthetic Application to Mimosifoliol with DFT and Autodocking Studies." Molecules 28, no. 17 (2023): 6214. http://dx.doi.org/10.3390/molecules28176214.

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An efficient and elegant method was developed for the preparation of substituted phenyl vinyl ketones using low-cost and commercially available ethyl chloroformate and diisopropylethylamine as reagents. This methodology was also applied to the synthesis of natural products such as mimosifoliol and quinolines. Frontier molecular orbital (FMO) studies on mimosifoliol were carried out to understand its chemical reactivity. Electron localization function (ELF) and localized orbital locator (LOL) analysis gave information about localized and delocalized electrons. Reduced density gradient (RDG) ana

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Demirpolat, Azize, Feride Akman, and Aleksandr S. Kazachenko. "An Experimental and Theoretical Study on Essential Oil of Aethionema sancakense: Characterization, Molecular Properties and RDG Analysis." Molecules 27, no. 18 (2022): 6129. http://dx.doi.org/10.3390/molecules27186129.

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This study aims to experimentally and theoretically examine the plant Aethionema sancakense, which was determined as a new species and whose essential oil and fatty acid compositions were characterized by GC/GC-MS technique. Linoleic acid (23.1%), α-humulene (19.8%), camphene (13.9%), and heptanal (9.7%) were found to be the major essential oil components of A. sancakense aerial part structures. The quantum chemical calculations of these four molecules that are very important to this plant were performed using the density functional method (DFT)/B3LYP with the 6-31 G (d, p) basis set in the gr

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6

Silva, Rodrigo A. Lemos, Demetrio A. da Silva Filho, Megan E. Moberg, Ted M. Pappenfus, and Daron E. Janzen. "Halogen Interactions in Halogenated Oxindoles: Crystallographic and Computational Investigations of Intermolecular Interactions." Molecules 26, no. 18 (2021): 5487. http://dx.doi.org/10.3390/molecules26185487.

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X-ray structural determinations and computational studies were used to investigate halogen interactions in two halogenated oxindoles. Comparative analyses of the interaction energy and the interaction properties were carried out for Br···Br, C-H···Br, C-H···O and N-H···O interactions. Employing Møller–Plesset second-order perturbation theory (MP2) and density functional theory (DFT), the basis set superposition error (BSSE) corrected interaction energy (Eint(BSSE)) was determined using a supramolecular approach. The Eint(BSSE) results were compared with interaction energies obtained by Quantum

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7

Nivedita, Srivastava Jaya Srivastava Shubham Srivastava and Santosh Kumar Srivastava*. "DFT Studies, Electronic Structure Analysis and Molecular Docking of a Dimethyl-4-(4-hydroxy-2-oxo-2H-chromen-3-yl)-5-phenyl-1-(p-tolyl)-1H-pyrrole-2,3-dicarboxylate: A Combined Theoretical and Computational Approach." INTERNATIONAL JOURNAL OF EMERGING TRENDS IN ENGINEERING AND DEVELOPMENT (IJETED) 15, no. 3 (2025): 1–28. https://doi.org/10.5281/zenodo.15465387.

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A systematic quantum chemical analysis was conducted on dimethyl-4-(4-hydroxy-2-oxo-2H-chromen-3-yl)-5-phenyl-1-(p-tolyl)-1H-pyrrole-2,3-dicarboxylate. Molecular geometry was optimized using DFT simulations at the B3LYP/6-31G level and HF techniques. Theoretical structural parameters were confirmed with experimental data using RMSD analysis. Electronic characteristics were investigated using MEP mapping and NBO analysis, which revealed important donor-acceptor interactions. As were Fukui functions and dual descriptors, Mulliken analysis was used in reactivity investigations. The compound demon

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8

Akman, Feride, Azize Demirpolat, Aleksandr S. Kazachenko, Anna S. Kazachenko, Noureddine Issaoui, and Omar Al-Dossary. "Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri." Molecules 28, no. 6 (2023): 2684. http://dx.doi.org/10.3390/molecules28062684.

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Essential oils are volatile oil-like liquids with a characteristic strong smell and taste. They are formed in plants and are then extracted. Essential oils have extremely strong physiological and pharmacological properties, which are used in the medicine, cosmetics, and food industries. In this study, the molecules caryophyllene oxide, β-pinene, 1,8-cineol, α-cubebene, and β-caryophyllene, which are the molecules with the highest contents in the essential oil of the plant mentioned in the title, were selected and theoretical calculations describing their interactions with water were performed.

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9

Fazilath Basha A, F. Liakath Ali Khan, S. Muthu, and M. Raja. "Computational evaluation on molecular structure (Monomer, Dimer), RDG, ELF, electronic (HOMO-LUMO, MEP) properties, and spectroscopic profiling of 8-Quinolinesulfonamide with molecular docking studies." Computational and Theoretical Chemistry 1198 (April 2021): 113169. http://dx.doi.org/10.1016/j.comptc.2021.113169.

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10

Jumabaev, Abduvakhid, Bekzod Khudaykulov, Utkirjon Holikulov, et al. "Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations." Optical Materials 159 (February 2025): 116683. https://doi.org/10.1016/j.optmat.2025.116683.

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11

Abdul Kadhim Mazyed, Hawraa, Noor Hameed Imran, Shaymaa Adil Mohammed, Murad G. Munahi, and Riyadh J. Nahi. "Computational details of molecular structure, spectroscopic properties, DFT calculations and molecular docking study of some 1,4-disubstituted-1,2,3-triazole derivatives derived from 4-aminobenzen sulfonic acid." Bulletin of the Chemical Society of Ethiopia 39, no. 3 (2024): 585–600. https://doi.org/10.4314/bcse.v39i3.15.

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In the current study, structural optimization, electronic, vibrational properties and molecular docking simulation were investigated for two 1,4-disubstituted-1,2,3-triaozle derivatives (A and B). The theoretical spectroscopic analytical results of IR, NMR and UV–Vis were obtained using DFT methods, and the predicted results were compared to the experimental results reported in the literature. To forecast the highly electron-dense locations of the compounds, the molecular electrostatic surface potential, (MEP) was analyzed; and the quantum and chemical characteristics were computed. A thorough

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Lefi, Nizar, Aleksandr S. Kazachenko, Murugesan Raja, Noureddine Issaoui, and Anna S. Kazachenko. "Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors." Molecules 28, no. 6 (2023): 2669. http://dx.doi.org/10.3390/molecules28062669.

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In this paper, both methods (DFT and HF) were used in a theoretical investigation of 3-bromo-2-Hydroxypyridine (3-Br-2HyP) molecules where the molecular structures of the title compound have been optimized. Molecular electrostatic potential (MEP) was computed using the B3LYP/6-311++G(d,p) level of theory. The time-dependent density functional theory (TD-DFT) approach was used to simulate the HOMO (highest occupied molecular orbital) and LUMO (lowest unoccupied molecular orbital) on the one hand to achieve the frontier orbital gap and on the other hand to calculate the UV–visible spectrum of th

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13

Eunice, E., and Johanan Christian Prasana. "Alzheimer’s Dementia Targeting by Plant-Derived 2,6-Dimethoxybenzoic Acid: In vitro, DFT and Molecular Docking Study." Asian Journal of Chemistry 37, no. 6 (2025): 1518–34. https://doi.org/10.14233/ajchem.2025.33504.

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2,6-Dimethoxybenzoic acid (2,6-DMBA), a phytochemical from golden eye grass, shows promising therapeutic agent for Alzheimer’s dementia (AD). Density functional theory (DFT) calculations with the B3LYP functional and 6-311++G(d,p) basis set were used for the structural optimization, spectroscopic, electronic, topological and biological evaluation. Spectroscopic methods, such as Fourier transform infrared (FT-IR) and Fourier transform raman (FT-Raman) spectroscopy, supported the geometric structure. Topological analyses, including molecular electrostatic potential (MEP), electron localization f

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14

Kucuk, Ceyhun. "Theoretical insights into the structural, spectroscopic, solvent effect, reactivity, NCI, and NLO analyses of 5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde." European Journal of Chemistry 16, no. 1 (2025): 70–82. https://doi.org/10.5155/eurjchem.16.1.70-82.2634.

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In this study, the characterization of the 5,7-dichloro-8-hydroxyquinoline-2-carbaldehyde molecule was carried out by nuclear magnetic resonance (1H and 13C NMR), Fourier transform infrared (FT-IR), ultraviolet-visible (UV-vis) spectroscopy and theoretical calculations in density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The integral equation formalism polarizable continuum (IEFPCM) solvation model was used for ethanol, dimethylsulfoxide (DMSO), and water solvents. The conformation of the molecule was analyzed, and the most stable structure was optimized, a

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15

Jayappa, Madhu Kumar Dogganal, Prabhuswamy Akhileshwari, Mandayam Anandalwar Sridhar, et al. "Synthesis and detailed characterization of a newly synthesized chalcone, 3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one." European Journal of Chemistry 12, no. 1 (2021): 69–76. http://dx.doi.org/10.5155/eurjchem.12.1.69-76.2067.

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Chalcones are the main component of some natural compounds. The title compound, 3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one, was synthesized and characterized. The compound (C21H18O3) crystallizes in the triclinic system with the space group of P-1 (no. 2), a = 7.7705(4) Å, b = 10.2634(6) Å, c = 11.2487(6) Å, α = 79.655(5)°, β = 81.500(5)°, γ = 68.039(5)°, V = 815.28(9) Å3, Z = 2, T = 293(2) K, μ(MoKα) = 0.086 mm-1, Dcalc = 1.297 g/cm3, 9126 reflections measured (4.318° ≤ 2Θ ≤ 52.728°), 3302 unique (Rint = 0.0466, Rsigma = 0.0528) which were used in all calculations. The final R

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16

Shanmugapriya, N., K. Vanasundari, V. Balachandran, B. Revathi, C. Sivakumar, and A. Viji. "Spectroscopic Identification, Structural Features and Molecular Docking Studies on 5-(4-Propoxybenzylidene)-2-[3-(4-chlorophenyl)-5-[4(propan-2-yl) phenyl-4,5-dihydro- 1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one using Pim-1 Kinase Cancer Protein." Asian Journal of Chemistry 34, no. 4 (2022): 857–70. http://dx.doi.org/10.14233/ajchem.2022.23565.

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A comprehensive investigation of the molecular structure, electronic properties and vibrational spectra of 5-(4-propoxybenzylidene)-2-[3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1Hpyrazol- 1-yl]-1,3-thiazol-4(5H)-one have been studied. Many natural and/or synthetic compounds contain, thiazole which are attractive compounds found in the building of numerous natural products and certain pharmaceutical agents. To understand the molecular-orbital interaction and structural investigation of the title compound, the density functional theory (DFT) calculation has been carried out using

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17

Bakheit, Ahmed H., Hazem A. Ghabbour, Hadayt Hussain, Rashad Al-Salahi, Essam A. Ali, and Gamal A. E. Mostafa. "Synthesis and Computational and X-ray Structure of 2, 3, 5-Triphenyl Tetrazolium, 5-Ethyl-5-phenylbarbituric Acid Salt." Crystals 12, no. 12 (2022): 1706. http://dx.doi.org/10.3390/cryst12121706.

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The title compound triphenyl tetrazolium (TPT) of phenobarbital, 5-Ethyl-5-phenylbarbituric acid triphenyl tetrazolium salt (4) was prepared by the reaction of 5-Ethyl-5-phenyl-2,4,6(1H, 3H, 5H)-pyrimidinetrione, monosodium salt (1) with triphenyl tetrazolium chloride (3) in deionized water at an ambient temperature through a cation exchange reaction. Colorless crystals of compound four suitable for an X-ray structural analysis were obtained by slow evaporation from acetonitrile. Compound four had crystallized in the monoclinic space group, P21/c, with a = 15.3678 (9) Å, b = 12.2710 (7) Å, c =

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18

Andrýsková, Natália, Jozef Motyčka, Melánia Babincová, Peter Babinec, and Mária Šimaljaková. "Computational Design of a Novel Dithranol–Salicylic Acid Antipsoriatic Prodrug for Esterase-Activated Topical Drug Delivery." Applied Sciences 14, no. 3 (2024): 1094. http://dx.doi.org/10.3390/app14031094.

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Psoriasis is a chronic autoimmune skin disorder characterized by the rapid overproduction of skin cells, resulting in the formation of red, inflamed, and scaly patches or plaques on the skin. Dithranol, also known as anthralin, is a very effective topical medication used in the treatment of psoriasis, with several shortcomings like photo-instability; staining skin, clothing, and bedding; and causing skin irritation. Antiproliferative dithranol is frequently used in combination therapy with keratolytic salicylic acid. We have therefore proposed a novel topical antipsoriatic prodrug comprising d

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19

Rabah, Amine Ould, Abdelmadjid Benmohammed, Abdelkader Chouaih, et al. "Synthesis, Characterization, DFT Investigation and In Silico Anti-eczema Evaluation of a Novel Thiazolidinone Derivative." Acta Chimica Slovenica 72, no. 2 (2025): 277–90. https://doi.org/10.17344/acsi.2024.9111.

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A new thiazolidinone derivative, (Z)-ethyl 2-((E)-2-((E)-(4-(methylthio)benzylidene)hydrazono)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (EMBTh), was synthesized using a condensation method. This study adopts a multidisciplinary approach, including the characterization of the compound through X-ray diffraction. A theoretical model for EMBTh has been established and validated by comparing the results of single-crystal X-ray diffraction (SC-XRD) with theoretical calculations from density functional theory (DFT). The molecule’s electronic properties were analyzed using frontier molecular orbita

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20

Tsapi, Charly Tedjeuguim, Stanley Numbonui Tasheh, Nyiang Kennet Nkungli, Aymard Didier Tamafo Fouegue, Caryne Isabelle Lekeufack Alongamo, and Julius Numbonui Ghogomu. "Exohedral Adsorption of N-(4-Methoxybenzylidene) Isonicotinohydrazone Molecule onto X12N12 Nanocages (where X=B and Al) and the Effect on Its NLO Properties by DFT and TD-DFT." Journal of Chemistry 2023 (May 2, 2023): 1–15. http://dx.doi.org/10.1155/2023/5287422.

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This study reports the nonlinear optical (NLO) properties of the exohedral adsorption of N-(4-methoxybenzylidene) isonicotinohydrazone (INH) onto B12N12 and Al12N12 nanocages. All ground state computations were performed using the density functional theory (DFT) method at the B3LYP-D3/6-311G(d,p) level of theory in the gaseous phase. Excited state computations were achieved via the time-dependent density functional theory (TD-DFT) at the CAM-B3LYP/6-311G(d,p) level of theory. Molecular electrostatic potential (MEP) analysis of INH reveals the presence of three preferential interaction sites: t

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Kazachenko, Aleksandr S., Emine Tanış, Feride Akman, et al. "A Comprehensive Study of N-Butyl-1H-Benzimidazole." Molecules 27, no. 22 (2022): 7864. http://dx.doi.org/10.3390/molecules27227864.

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Imidazole derivatives have found wide application in organic and medicinal chemistry. In particular, benzimidazoles have proven biological activity as antiviral, antimicrobial, and antitumor agents. In this work, we experimentally and theoretically investigated N-Butyl-1H-benzimidazole. It has been shown that the presence of a butyl substituent in the N position does not significantly affect the conjugation and structural organization of benzimidazole. The optimized molecular parameters were performed by the DFT/B3LYP method with 6-311++G(d,p) basis set. This level of theory shows excellent co

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22

Elangovan, N., R. Sangeetha, S. Sowrirajan, S. Sarala, and S. Muthu. "Computational Investigation on Structural and Reactive Sites (HOMO-LUMO, MEP, NBO, NPA, ELF, LOL, RDG) Identification, Pharmacokinetic (ADME) Properties and Molecular Docking Investigation of (E)-4-((4-chlorobenzylidene) amino) Benzene Sulfonamide Compound." Analytical Chemistry Letters 12, no. 1 (2022): 58–76. http://dx.doi.org/10.1080/22297928.2021.1933588.

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Permatasari, Ayu Novira Shinta, and Herlina Jayadianti. "Direct Mapping and Turtle Ontology for Management of Indonesian Movies Knowledge." MATEC Web of Conferences 372 (2022): 04011. http://dx.doi.org/10.1051/matecconf/202237204011.

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Web 2.0 or conventional web has developed into Web 3.0, known as semantic web. Semantic web technology requires ontology as the backbone in understanding a concept of knowledge. In the ontology computing process, the Resource Description Framework (RDF) is used as a framework to define web resources in triple form (subject-predicate-object) so that they can form metadata and describe the information contained on the web. The data used in this study is Indonesian movies data obtained from Kaggle in Comma Separated Values (.csv) format with a total of 242 lines of Indonesian movies data. The dat

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Lisanti, Maria Tiziana, Alessandro Mataffo, Pasquale Scognamiglio, et al. "1-Methylcyclopropene Improves Postharvest Performances and Sensorial Attributes of Annurca-Type Apples Exposed to the Traditional Reddening in Open-Field Melaio." Agronomy 11, no. 6 (2021): 1056. http://dx.doi.org/10.3390/agronomy11061056.

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The Annurca type is an historical Italian apple fruit probably native to the Campania region. These fruits are harvested before a full maturity stage and go through an open-field reddening process. Products based on 1-methylcyclopropene (1-MCP) are widely used in postharvest to improve apple quality and avoid disorders in controlled atmosphere. In this work, we tested the impact of 1-MCP in the traditional reddening system of Annurca type by analyzing three postharvest strategies, namely, fruits exposed for ten days to the traditional reddening and then cold-stored (RDG treatment); fruits trea

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Sutejo, Agus, Rahmat Gernowo, and Michael Andreas Purwoadi. "Ontology learning from object-relational mapping metadata and relational database." Indonesian Journal of Electrical Engineering and Computer Science 33, no. 2 (2024): 1116. http://dx.doi.org/10.11591/ijeecs.v33.i2.pp1116-1125.

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Ontologies play an important role in representing the semantics of data sources. Building an ontology as a representation of domain knowledge from available data sources is not a simple process, particularly when dealing with relational data, which remains prevalent in existing knowledge systems. In this study, we create an ontology from a relational database using object-relational mapping (ORM) metadata as additional rules for mapping. Our method comprises two main phases: ontology schema construction using ORM metadata and the generation of ontology instances from the relational database. D

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Sutejo, Agus, Rahmat Gernowo, and Michael Andreas Purwoadi. "Ontology learning from object-relational mapping metadata and relational database." Indonesian Journal of Electrical Engineering and Computer Science 33, no. 2 (2024): 1116–25. https://doi.org/10.11591/ijeecs.v33.i2.pp1116-1125.

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Ontologies play an important role in representing the semantics of data sources. Building an ontology as a representation of domain knowledge from available data sources is not a simple process, particularly when dealing with relational data, which remains prevalent in existing knowledge systems. In this study, we create an ontology from a relational database using object-relational mapping (ORM) metadata as additional rules for mapping. Our method comprises two main phases: ontology schema construction using ORM metadata and the generation of ontology instances from the relational database. D

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SILVA, Ellen Fernanda Gomes da, and Carmem BARRETO. "Homens que vivenciam a infertilidade: clientes da "cegonha tecnológica." PHENOMENOLOGICAL STUDIES - Revista da Abordagem Gestáltica 23, no. 1 (2017): 10–21. http://dx.doi.org/10.18065/rag.2017v23n1.2.

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Lendele, Kola, and Joseph Kamanda Kimona-Mbinga. "Nature et spécificité de la dollarisation de l'économie congolaise (RDC)." Mondes en développement 130, no. 2 (2005): 41. http://dx.doi.org/10.3917/med.130.0041.

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Song, Minjae, Hyunsuk Oh, Seungmin Seo, and Kyong-Ho Lee. "Map-Side Join Processing of SPARQL Queries Based on Abstract RDF Data Filtering." Journal of Database Management 30, no. 1 (2019): 22–40. http://dx.doi.org/10.4018/jdm.2019010102.

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The amount of RDF data being published on the Web is increasing at a massive rate. MapReduce-based distributed frameworks have become the general trend in processing SPARQL queries against RDF data. Currently, query processing systems that use MapReduce have not been able to keep up with the increase of semantic annotated data, resulting in non-interactive SPARQL query processing. The principal reason is that intermediate query results from join operations in a MapReduce framework are so massive that they consume all available network bandwidth. In this article, the authors present an efficien

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Oliveira-dos-Santos, Antonio J., Alexandra Ho, Yoshifumi Tada, et al. "CD28 Costimulation Is Crucial for the Development of Spontaneous Autoimmune Encephalomyelitis." Journal of Immunology 162, no. 8 (1999): 4490–95. http://dx.doi.org/10.4049/jimmunol.162.8.4490.

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Abstract Multiple sclerosis (MS) is a severe central nervous system disease. Experimental autoimmune encephalomyelitis (EAE) mimics MS in mice. We report that spontaneous development of EAE in RAG-1-deficient mice transgenic for a myelin basic protein (MBP)-specific TCR (TgMBP+/RAG-1−/−) requires expression of the T cell costimulatory molecule CD28. Surprisingly, T cells from CD28−/−TgMBP+/RAG-1−/− mice proliferate and produce IL-2 in response to MBP1–17 peptide in vitro, excluding clonal anergy as the mechanism of CD28-regulated pathogenesis. Proliferation of autoaggressive T cells was depend

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Levchuk, Lyudmila A., Olga V. Roschina, Ekaterina V. Mikhalitskaya, et al. "Serum Levels of S100B Protein and Myelin Basic Protein as a Potential Biomarkers of Recurrent Depressive Disorders." Journal of Personalized Medicine 13, no. 9 (2023): 1423. http://dx.doi.org/10.3390/jpm13091423.

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Nowadays, nervous tissue damage proteins in serum are considered promising drug targets and biomarkers of Mood Disorders. In a cross-sectional naturalistic study, the S100B, MBP and GFAP levels in the blood serum were compared between two diagnostic groups (patients with Depressive Episode (DE, n = 28) and patients with Recurrent Depressive Disorder (RDD, n = 21)), and healthy controls (n = 25). The diagnostic value of serum markers was assessed by ROC analysis. In the DE group, we did not find changed levels of S100B, MBP and GFAP compared with controls. In the RDD group, we found decreased S

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PIMENTEL, Adelma. "Violência doméstica praticada por homens detidos na Delegacia da Mulher de Belém." PHENOMENOLOGICAL STUDIES - Revista da Abordagem Gestáltica 16, no. 2 (2010): 148–56. http://dx.doi.org/10.18065/rag.2010v16n2.3.

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Qualitative research that reflects on the subjective processes and perceptions of domestic violence by detainees held at the Police Office for Women. The questions addressed were: what defines manhood? What models guided the formation of masculinity? What you liked and did not like to learn with models? How important is penis virility? What is the value of affection for the marital relationship? And violence was asked about the design of the informants. 10 questionnaires were administered to men with elementary schooling, first and second degree, all incomplete. Procedures we performed literat

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Delaney, Donna E., Bernd R. Friebe, Bikram S. Gill, Scot H. Hulbert, and James H. Hatchett. "Targeted mapping of rye chromatin in wheat by representational difference analysis." Genome 38, no. 3 (1995): 458–66. http://dx.doi.org/10.1139/g95-060.

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A targeted mapping strategy using representational difference analysis (RDA) was employed to isolate new restriction fragment length polymorphism probes for the long arm of chromosome 6 in rye (6RL), which carries a gene for resistance to Hessian fly larvae. Fragments from the 6RL arm were specifically isolated using a 'Chinese Spring' (CS) wheat – rye ditelosomic addition line (CSDT6RL) as tester, and CS and (or) CS4R as the driver for the genomic subtraction. Three RDA experiments were performed using BamHI amplicons, two of which were successful in producing low-copy clones. All low-copy cl

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Kol, Aman, Rohit Kumar Singh, Vijay Bagare, Rohit Kumar, and Ratnesh Kumar. "Response of Integrated Nutrient Management on Growth Parameters of Wheat (Triticum aestivum L.)." International Journal of Plant & Soil Science 35, no. 21 (2023): 439–44. http://dx.doi.org/10.9734/ijpss/2023/v35i213994.

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A field study was carried out at Agronomy farm of faculty of the Agriculture, Mangalayatan University, Jabalpur (M.P.) during Rabi season 2022 to evaluate Response of Integrated Nutrient Management on Growth Parameters of Wheat (Triticum aestivum L.). The experiment was comprised of twelve treatments combination of T1 (Control (100%)), T2 (50% RDF), T3 (Azotobacter +100% RDF), T4 (FYM + 100% RDF), T5 (PSB +100% RDF), T6 (50% RDF + Azotobacter), T7 (50% RDF + FYM), T8 (50% RDF + PSB), T9 (50% RDF + Azotobacter + FYM), T10 (50% RDF + Azotobacter + PSB), T11 (50% RDF + FYM) + PSB) and T12 (50% RD

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Qtaish, Amjad, and Mohammad T. Alshammari. "A Narrative Review of Storing and Querying XML Documents Using Relational Database." Journal of Information & Knowledge Management 18, no. 04 (2019): 1950048. http://dx.doi.org/10.1142/s0219649219500485.

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Extensible Markup Language (XML) has become a common language for data interchange and data representation in the Web. The evolution of the big data environment and the large volume of data which is being represented by XML on the Web increase the challenges in effectively managing such data in terms of storing and querying. Numerous solutions have been introduced to store and query XML data, including the file systems, Object-Oriented Database (OODB), Native XML Database (NXD), and Relational Database (RDB). Previous research attempts indicate that RDB is the most powerful technology for mana

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Bele, Marjan, Matija Gatalo, Primož Jovanovič, et al. "Insight on Single Cell Proton Exchange Membrane Fuel Cell Performance of Pt-Cu/C Cathode." Catalysts 9, no. 6 (2019): 544. http://dx.doi.org/10.3390/catal9060544.

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The oxygen reduction reaction (ORR) properties of a proprietary PtCu3/C alloy electrocatalyst produced on a multi-gram scale are characterized by the conventional rotating disc electrode (RDE) method and by constructing a membrane electrode assembly (MEA) proton exchange membrane (PEM) single cell. The PtCu3 nanoparticles become porous, enriched in Pt on the surface, and exhibit a high RDE activity. The single cell electrochemical study reveals that, contrary to most advanced catalysts, the high ORR activity can be transferred from the RDE to the MEA. In the latter case, at 0.9VIRfree, a mass

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Jeffrey S. Zamostny. "Comings Out: Secrecy, Sexuality, and Murder in Michael Nava’s Rag and Bone." MELUS: Multi-Ethnic Literature of the U.S. 34, no. 3 (2009): 183–204. http://dx.doi.org/10.1353/mel.0.0046.

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Amaral, Camila Miriam Suemi Sato Barros do, Jefferson Valente, Cássia da Luz Goulart, et al. "Impact of Respiratory Support During Hospitalization on Functional Outcomes in Long COVID: A Post-Hoc Analysis of a Prospective Cohort Study." International Journal of Environmental Research and Public Health 22, no. 1 (2024): 49. https://doi.org/10.3390/ijerph22010049.

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Post-acute COVID-19 syndrome (PACS) is characterized by the persistence of one or more symptoms after the acute phase, leading to physical disabilities. This study aims to investigate whether the functional capacity and respiratory function 120 days post-COVID-19 differed according to the level of respiratory support needed during hospitalization in acute COVID-19 in the pre-vaccine rollout period. We followed up with 118 COVID-19 hospitalized patients in the acute phase until 120 days post-acute disease, with patients split into a Non-Invasive Oxygen Therapy Group (OTG, n = 72), Invasive Mech

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Sharma, Ankur, Anusha K. N., Priyanka Dahiya, and K. N. Nagaich. "Effect of Integrated Nutrient Management on Productivity and Quality of Aonla." International Journal of Plant & Soil Science 35, no. 22 (2023): 538–42. http://dx.doi.org/10.9734/ijpss/2023/v35i224162.

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The field experiment was conducted at the Horticulture Research CRC Farm – 1 of the Department of Horticulture, School of Agriculture, ITM University Gwalior (M.P. during the year 2019 and 2020 to study the effect of Integrated Nutrient Management on fruit yield and quality of aonl. The experiment was laid out in the randomized block design with three replications and eleven treatments viz. (control - RDF (1000: 500:1000 g/ tree, 3/4thof RDF + FYM, 3/4thof RDF + FYM + Azotobacter (100g, 3/4thof RDF + FYM+ Azospirillum (100g, 3/4thof RDF + FYM+ PSB (100g, 3/4thof RDF + FYM+ Azotobacter + Azospi

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Gadekar, Rohit, Pradeep Rajput, Deepali Suryawanshi, and Jaidev Sharma. "Response of Different Fertility Levels and Foliar Nutrition on Chickpea (Cicer arietinum L.) under the Grid Region of M.P., India." Ecology, Environment and Conservation 31, Suppl (2025): S137—S140. https://doi.org/10.53550/eec.2025.v31i01s.025.

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A Field experiment was conducted during the Rabi season of 2023-24 at crop research center of ITM University Gwalior, (M.P.), to investigate the Response of different fertility levels and foliar nutrition on chickpea (Cicer arietinum L.) under grid region of Madhya Pradesh the experiment consisted factorial randomized design with three replication and comprised three fertility levels (75% RDF, 100% RDF, and 125% RDF) and four foliar nutrition (control (water spray), Urea 2%, DAP 2% and Urea phosphate 0.5% at pre-flowering and pod initiation stage) All the treatments were applied to the chickpe

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Vaisman, Alejandro, and Kevin Chentout. "Mapping Spatiotemporal Data to RDF: A SPARQL Endpoint for Brussels." ISPRS International Journal of Geo-Information 8, no. 8 (2019): 353. http://dx.doi.org/10.3390/ijgi8080353.

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This paper describes how a platform for publishing and querying linked open data for the Brussels Capital region in Belgium is built. Data are provided as relational tables or XML documents and are mapped into the RDF data model using R2RML, a standard language that allows defining customized mappings from relational databases to RDF datasets. In this work, data are spatiotemporal in nature; therefore, R2RML must be adapted to allow producing spatiotemporal Linked Open Data.Data generated in this way are used to populate a SPARQL endpoint, where queries are submitted and the result can be disp

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Sharma, Ankur, Ritik Chawla, Priyanka Dahiya, and K. N. Nagaich. "Integrated Application of Inorganic, Organic Sources and Biofertilizers on Nutrient Status of Soil and Aonla Leaves under Sub-Tropics of Madhya Pradesh, India." International Journal of Environment and Climate Change 13, no. 11 (2023): 3462–67. http://dx.doi.org/10.9734/ijecc/2023/v13i113521.

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The field experiment was conducted at the Horticulture Research CRC Farm – 1 of the Department of Horticulture, School of Agriculture, ITM University Gwalior (M.P.) during the year 2019 and 2020 to study the Influence of Integrated Nutrient Management on nutrient status of soil and aonla leaves under sub-tropics of Madhya Pradesh. The experiment was laid out in the randomized block design with three replications and eleven treatments viz. (control) - RDF (1000: 500:1000 g/ tree), 3/4thof RDF + FYM, 3/4th of RDF + FYM + Azotobacter (100 g), 3/4th of RDF + FYM+ Azospirillum (100 g), 3/4th of RDF

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Chen, Shutang. "Optimization of Pt-Based Nanocatalysts Loading to Improve MEA Performance." ECS Meeting Abstracts MA2024-02, no. 41 (2024): 2694. https://doi.org/10.1149/ma2024-02412694mtgabs.

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Platinum (Pt) catalysts have been considered as the most active electrocatalyst for the oxygen reduction reaction (ORR) in fuel cells. However, high rotating disc electrode (RDE) activities have rarely translated into membrane electrode assemblies (MEA) performance. There are several technical issues that must be solved before they can be applied in fuel cell vehicles, for example, cost/durability, transition metal leakage, and high-density loading catalyst for closing the gap between RDE and MEA experiments. In this talk, we will introduce our catalysts loading method and strategy how to impr

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Narwariya, Ruby, Ankur Sharma, Ratan Kumar Pal, and Priyanka Dahiya. "Effect of Organic and Inorganic Manures on Growth and Yield of Okra (Abelmoschus esculentus L. Moench) cv. Arka Anamika." International Journal of Plant & Soil Science 35, no. 22 (2023): 285–88. http://dx.doi.org/10.9734/ijpss/2023/v35i224135.

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The field experiment was conducted at the Horticulture Research CRC Farm – 1 of the Department of Horticulture, School of Agriculture, ITM University Gwalior (M.P.) during the year 2022 to study the effect of organic and inorganic manure on growth, yield and quality of okra. The experiment was laid out in the randomized block design with three replications and twelve treatments viz. FYM, Vermicompost, FYM + Vermicompost, 50% RDF + FYM, 50 % RDF + Vermicompost, 50 % RDF +FYM + Vermicompost, 75% RDF +FYM), 75% RDF + Vermicompost, 75% RDF +FYM +Vermicompost, 100% RDF +FYM), 100% RDF + Vermicompos

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Gorovyi, Ievgen M., Oleksandr O. Bezvesilniy, and Dmytro M. Vavriv. "Modifications of Range-Doppler Algorithm for Compensation of SAR Platform Motion Instabilities." International Journal of Electronics and Telecommunications 60, no. 3 (2014): 225–31. http://dx.doi.org/10.2478/eletel-2014-0028.

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Abstract Two modifications of the range-Doppler algorithm (RDA) have been proposed to solve problems of SAR platform motion instabilities. First, the multi-look processing based on the RDA with an extended Doppler bandwidth has been introduced for correction of radiometric errors. Second, the RDA has been modified to perform SAR image formation on short-time acquisition intervals to use it in a recently-developed local-quadratic map-drift autofocus (LQMDA) method. The performance of the methods is illustrated with experimental data obtained by airborne SAR systems.

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Kumari, Vijaya, Satish Kumar, and Jai Dev Sharma. "Effect of Integrated Nutrient Management on growth, yield and quality of field pea." Ecology, Environment and Conservation 31, no. 01 (2025): 361–64. https://doi.org/10.53550/eec.2025.v31i01.065.

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The field experiment was conducted during the Rabi season of 2023 at the crop research center, school of agriculture, ITM University, Gwalior (M.P) to find out the effect of integrated nutrient management on growth, yield and quality of field pea. The field experiment was laid out in a Random block design with ten treatments and three replications viz., T1 - Control, T2 - 100 % RDF (20:40:20), T3 - 75 % RDF + 2-ton FYM ha-1, T4 - 50 % RDF + 2-ton FYM ha-1, T5 - 75 % RDF + 2-ton Vermicompost ha-1, T6 - 50 % RDF + 2-ton Vermicompost ha-1, T7 - 75 % RDF + 2-ton FYM ha-1 + Rhizobium + PSB, T8 - 50

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Vishwakarma, Mahima, and Megha Vishwakarma Rohit Chauhan. "The Impact of Integrated Nutrient Management on Growth and Yield of Palak (Indian Spinach)." International Journal of Plant & Soil Science 35, no. 20 (2023): 763–72. http://dx.doi.org/10.9734/ijpss/2023/v35i203863.

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Integrated nutrient management system is an alternative system for the sustainable and cost-effective management of soil fertility by combined apply of inorganic with organic materials resulting in rising soil fertility and productivity without affecting environment. Keeping in this view the present investigation was carried out at Polyhouse of Dr. B.R. Ambedkar university of social science Mhow, Indore (M.P.) during 2022 to study “The impact of integrated nutrient management on growth and yield of Palak (Indian Spinach)”. Experiment was laid out in randomized complete block design with 4 repl

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Alimah, Siti, Erlan Dewita, Heni Susiati, and Teguh Aryanto. "ASPEK TEKNOLOGI PENENTUAN DESALINASI YANG DI KOPLING DENGAN REAKTOR DAYA EKSPERIMENTAL." Majalah Ilmiah Pengkajian Industri 13, no. 2 (2019): 141–48. http://dx.doi.org/10.29122/mipi.v13i2.3227.

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BATAN berencana membangun dan mengoperasikan Reaktor Daya Eksperimental (RDE). RDE dengan tipe reaktor gas temperatur tinggi (HTGR), merupakan salah satu kandidat desain reaktor yang limbah panasnya cocok untuk aplikasi desalinasi air laut. Kopling desalinasi dengan RDE, membuat teknologi desalinasi lebih menarik, karena selain menghemat cadangan bahan bakar fosil, ramah lingkungan, juga dapat menambah pasokan kebutuhan air bersih. Terdapat berbagai teknologi desalinasi komersial yaitu menggunakan energi thermal dan menggunakan membran dalam proses pemisahannya. Multi-Stage Flash Distillation

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Jeong, Jin Young, Jin Sun Nam, Mi Rim Park, et al. "A Proteome Reference Map for Porcine Plasma Proteins." Reproductive & Developmental Biology 37, no. 4 (2013): 255–61. http://dx.doi.org/10.12749/rdb.2013.37.4.255.

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Wibawa, Condro, Setia Wirawan, Metty Mustikasari, and Dessy Tri Anggraeni. "KOMPARASI KECEPATAN HADOOP MAPREDUCE DAN APACHE SPARK DALAM MENGOLAH DATA TEKS." Jurnal Ilmiah Matrik 24, no. 1 (2022): 10–20. http://dx.doi.org/10.33557/jurnalmatrik.v24i1.1649.

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Istilah Big Data saat ini bukanlah hal yang baru lagi. Salah satu komponen Big Data adalah jumlah data yang masif, yang membuat data tidak bisa diproses dengan cara-cara tradicional. Untuk menyelesaikan masalah ini, dikembangkanlah metode Map Reduce. Map Reduce adalah metode pengolahan data dengan memecah data menjadi bagian-bagian kecil (mapping) dan kemudian hasilnya dijadikan satu kembali (reducing). Framework Map Reduce yang banyak digunakan adalah Hadoop MapReduce dan Apache Spark. Konsep kedua framework ini sama akan tetapi berbeda dalam pengelolaan sumber data. Hadoop MapReduce mengguna

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