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Journal articles on the topic 'Compound Parameters Value'

Author: Grafiati

Published: 5 June 2025

Last updated: 2 August 2025

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1

Dadasaheb, R. Jawre, and G. Unde Maya. "Prioritization of Sub-Watersheds in Semi Arid Region: A Case Study of Shevgaon and Pathardi Tahsils in Maharashtra." International Journal of Advance and Applied Research 4, no. 1 (2023): 76–88. https://doi.org/10.5281/zenodo.7546388.

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Watershed management is an important in today’s environment. Prioritization of sub-watershed plays an important role in watershed management studies. It shows the requirement of watershed study to go for the green growth of the region. Physical and social factors are also play an important role in identifying the sub-watershed for Prioritization. The present research is throwing a focus on how morphometric parameters in association with GIS analysis will help in identifying the ranking of sub-watersheds for further development with the help of suggested watershed structures. Shevgaon and

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2

Danaie, Elmira, Shiva Masoudi, and Nasrin Masnabadi. "A Computational Study of the Conformational Behavior of 2,5-Dimethyl- 1,4-dithiane-2,5-diol and Analogous S and Se: DFT and NBO Study." Letters in Organic Chemistry 17, no. 10 (2020): 749–59. http://dx.doi.org/10.2174/1570178617666200129144750.

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Conformational behaviors of 2,5-dimethyl-1,4-dithiane-2,5-diol (compound 1), 2,5- dimethyl-1,4-dithiane-2,5-dithiol (compound 2) and 2,5-dimethyl-1,4-dithiane-2,5-diselenol (compound 3) were investigated by the B3LYP/6-311+G **, the M06-2X/aug-ccpvdz levels of theory and natural bond orbital NBO analysis. The structures and the structural parameters of the mentioned molecules were optimized by the B3LYP and the M06-2X methods. We assessed the roles and contributions of the effective factors in the conformational properties of the mentioned compounds by means of the B3LYP and M06-2X levels of t

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3

KALLIAT, T. VALSARAJ. "Studies in Aeration. I. Determination of Henry's Law Constants and Adsorption Isotherm Parameters at Air-Water Interfaces for Hydrophobic Chlorinated Compounds from Solvent Sublation Experiments." Journal of Indian Chemical Society Vol. 62, Jun 1985 (1985): 478–82. https://doi.org/10.5281/zenodo.6319802.

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Department of Chemical Engineering, University of Arkansas, Fayetteville, AR 72701, U.S.A. <em>Manuascript received 4 December 1984, accepted 8 June 1988</em> Experimental results on solvent sublation of hydrophobic refractory chlorinated compoun s of low aqueous solubility are used to determine the values of the coefficient α which control the extent of mass transfer across the air-water Interface of the rising air bubbles in a solvent sublation column. For the various compounds studied the trend in α values suggests that larger the value of α the more hydrophobic the compou

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4

Yuan, Fahui, Hanwen Yu, Lin Wang, Yinyan Shi, Xiaochan Wang, and Hui Liu. "Parameter Calibration and Systematic Test of a Discrete Element Model (DEM) for Compound Fertilizer Particles in a Mechanized Variable-Rate Application." Agronomy 13, no. 3 (2023): 706. http://dx.doi.org/10.3390/agronomy13030706.

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In order to obtain accurate discrete element simulation model (DEM) parameters of compound fertilizer and solve the problem of challenging measurement of contact parameters of compound fertilizer particle, simulation calibration test was carried out by using EDEM simulation soft-ware. This study measured the intrinsic parameters and contact parameters of compound fertilizer particles through physical tests and established a simulation model that corresponds with the actual situation to calibrate the contact parameters of compound fertilizer particles. By using the Blackett-Burman test, the par

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Zhu, Xiaoyan, Jianchao Chen, Jieyu Chen, Xinrong Lei, and Chunjie Yan. "Urea intercalation compound production in industrial scale for paper coating." Chemical Industry and Chemical Engineering Quarterly 20, no. 2 (2014): 241–48. http://dx.doi.org/10.2298/ciceq121025007z.

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Urea intercalation compounds were produced in a new designed industrial scale. The conditions and locations of the new industrial process for the production of urea intercalation compound pigment were studied through the control of correlative parameters. Properties of the compound pigment such as particle morphology, particle size distribution and viscosity, were analyzed to evaluate its potentiality for paper coating application. Results showed that the intercalation ratio of urea intercalation compound increased from 6.3% with 2wt. % of urea addition to 56.08% with 6wt.% of urea addition. V

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6

Ghadimi, Saied, Mehrdad Pourayoubi, and Ali Asghar Ebrahimi Valmoozi. "Synthesis and Spectroscopic Characterization of Mixed Diamidophosphoric Acid Esters: X-Ray Crystal Structure of [(CH3)2N]-[p-H3C-C6H4-O]P(O)X (X = NHC(CH3)3 and p-H3C-C6H4-NH)." Zeitschrift für Naturforschung B 64, no. 5 (2009): 565–69. http://dx.doi.org/10.1515/znb-2009-0513.

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Mixed diamidophosphoric acid esters [(CH3)2N][p-H3C-C6H4-O]P(O)X, where X = NH(CH3) (1), NHCH(CH3)2 (2), NHC(CH3)3 (3) and p-H3C-C6H4-NH (4) were synthesized and characterized by 31P, 31P{1H}, 13C, 1H NMR, and IR spectroscopy and mass spectrometry, and single crystal X-ray diffraction analysis for the compounds 3 and 4. Compound 3 crystallizes in the monoclinic, space group P21/c with unit cell parameters a = 9.006(3), b = 16.286(5), c = 10.319(3) A° , β = 99.633(6)◦, V = 1492.2(8) °A3, Z = 4. The final R value is 0.0622 for 2074 reflections [I ≥ 2σ (I)]. Compound 4 crystallizes in the orthorh

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7

Yang, Gyongseon, Nakyung Lee, Jean-Robert Ioset, and Joo Hwan No. "Evaluation of Parameters Impacting Drug Susceptibility in Intracellular Trypanosoma cruzi Assay Protocols." SLAS DISCOVERY: Advancing the Science of Drug Discovery 22, no. 2 (2016): 125–34. http://dx.doi.org/10.1177/1087057116673796.

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In order to understand the key parameters influencing drug susceptibility, different Trypanosoma cruzi assay protocols were evaluated using a comparative assay design. The assays compared in this study were an image-based intracellular T. cruzi assay quantified through an image-mining algorithm and an intracellular assay utilizing a β-galactosidase-expressing T. cruzi strain. Thirty-one reference compounds known to exhibit activities against intracellular T. cruzi were used as benchmarks. Initial comparison using EC50 values from two assays showed a very poor correlation, with an R2 value of 0

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8

Suchojad, Kamil, Anna Dołęga, Angelika Adamus-Grabicka, Elżbieta Budzisz, and Magdalena Małecka. "Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one." Acta Crystallographica Section E Crystallographic Communications 75, no. 12 (2019): 1907–13. http://dx.doi.org/10.1107/s2056989019015639.

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The synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3, I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one, C22H16O3, II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H...O and O—H...O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated by π–π interactions. The lipophilicity (logP) was determined as it is one of the parameters qualifying compounds as potential drugs. The logP value for compound I is associated with a

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9

Dhiraj Kumar and Sanjana Bhagat. "In-silico study of some natural plant phyto-compounds for the identification of novel potent cholinesterase inhibitors against Alzheimer's Disease." World Journal of Advanced Research and Reviews 12, no. 3 (2021): 243–50. http://dx.doi.org/10.30574/wjarr.2021.12.3.0543.

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The main aim of this study is to identify inhibitory binding potent of the available commercially alkaloids, against the crystal structure of acetylcholinesterase (AChE) protein by in silico studies. The inhibitory data of the compounds should be compared with the internal ligand as well as standard AChE inhibitor Aricept (which is used for the treatment of all stages of Alzheimer’s disease). AutoDock 4.0 is used for the docking study, conformational orientation site analysis, and, with the help of docking, we have calculated parameters like binding energy and inhibition constant. Docking's st

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10

Sağlık, Begüm Nurpelin, Osman Cebeci, Ulviye Acar Çevik, et al. "Design, Synthesis, In Vitro and In Silico Studies of New Thiazolylhydrazine-Piperazine Derivatives as Selective MAO-A Inhibitors." Molecules 25, no. 18 (2020): 4342. http://dx.doi.org/10.3390/molecules25184342.

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Monoamine oxidase (MAO) isoenzymes are very important drug targets among neurological disorders. Herein, novel series of thiazolylhydrazine-piperazine derivatives were designed, synthesized and evaluated for their MAO-A and -B inhibitory activity. The structures of the synthesized compounds were assigned using different spectroscopic techniques such as 1H-NMR, 13C-NMR and HRMS. Moreover, the prediction of ADME (Absorption, Distribution, Metabolism, Elimination) parameters for all of the compounds were performed using in silico method. According to the enzyme inhibition results, the synthesized

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11

SINGH, K. P., V. P. S. AWANA, MD SHAHABUDDIN, et al. "PHASE FORMATION AND SUPERCONDUCTIVITY OF Fe-TUBE ENCAPSULATED AND VACUUM-ANNEALED MgB2." Modern Physics Letters B 20, no. 27 (2006): 1763–69. http://dx.doi.org/10.1142/s0217984906011840.

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We report optimization of the synthesis parameters viz. heating temperature (TH), and hold time (t hold ) for vacuum-annealed (10-5 Torr) and LN 2 (liquid nitrogen) quenched MgB 2 compound. These are single-phase compounds crystallizing in the hexagonal structure (space group P 6/mmm ) at room temperature. Our XRD results indicated that for phase-pure MgB 2, the TH for 10-5 Torr annealed and LN 2-quenched samples is 750°C. The right stoichiometry i.e., MgB 2 of the compound corresponding to 10-5 Torr and TH of 750°C is found for the hold time (t hold ) of 2.30 hours. With varying t hold from 1

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12

Dhiraj, Kumar, and Bhagat Sanjana. "In-silico study of some natural plant phyto-compounds for the identification of novel potent cholinesterase inhibitors against Alzheimer's Disease." World Journal of Advanced Research and Reviews 12, no. 3 (2021): 243–50. https://doi.org/10.5281/zenodo.5804883.

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The main aim of this study is to identify inhibitory binding potent of the available commercially alkaloids, against the crystal structure of acetylcholinesterase (AChE) protein by in silico studies. The inhibitory data of the compounds should be compared with the internal ligand as well as standard AChE inhibitor Aricept (which is used for the treatment of all stages of Alzheimer’s disease). AutoDock 4.0 is used for the docking study, conformational orientation site analysis, and, with the help of docking, we have calculated parameters like binding energy and inhibition constant. Dockin

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13

Gadakh, S., SS Wandre, MA Patil, et al. "Quantitative analysis of morphometric parameters for prioritization of Warana river basin using remote sensing and GIS." Journal of Agriculture and Ecology 18 (May 30, 2024): 32–38. http://dx.doi.org/10.58628/jae-2418-105.

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An attempt has been made in this paper to study the morphometric characteristics and prioritization of watersheds of the Warana river basin, which falls in the districts of Ratnagiri, Kolhapur, and Sangli and is a major one among five river basins of Maharashtra state, India. As a result, the entire research area has been subdivided into 15 sub-watersheds for prioritization based on morphometric analysis utilizing GIS and remote sensing techniques. The compound parameters were calculated by averaging the priority based on the severity ranking of each watershed. The watersheds were given ultima

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14

Nuri, Zaid M., Asmaa A. Aziz, and Sabah M. Aman Allah. "Computational Codes for Fast Neutrons and Gamma Ray Interactions Coefficients in Different Material." International Academic Journal of Science and Engineering 11, no. 1 (2024): 195–212. http://dx.doi.org/10.9756/iajse/v11i1/iajse1123.

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In this research, many materials used as shields against ionizing radiation (neutrons and gamma rays) were studied. Seven glass systems compounds and five polymeric compounds were used to test their effectiveness in attenuating fast neutrons. These compounds are (S1-S7) as shown in table (1) and polymeric compounds as shown in table (3), many attenuation coefficients for these compounds were calculated through the use of a computer program called (SAZ) written in the Python programming language, which is used to calculate a number of basic parameters based on certain semi-empirical equations.

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15

Fatani, Nawaf, Yassin Abdelsamad, and Abdulrahman Alsanosi. "Influence of Cochlear Anatomy on Intraoperative Electrically Evoked Compound Action Potentials." Journal of Clinical Medicine 13, no. 16 (2024): 4716. http://dx.doi.org/10.3390/jcm13164716.

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Objective: The electrically evoked compound action potential (ECAP) is an objective measure to indirectly assess spiral ganglion neurons. The ECAP provides inputs about the prognoses of cochlear implant (CI) recipients. Several factors such as cochlear morphology can affect ECAP measurements. This study aims to investigate the variation effect of cochlear parameters on intraoperative ECAP thresholds. Methods: This is a retrospective study on patients who underwent CI surgery with normal inner ear morphology at our center between 2017 and 2023. Cochlear anatomical parameters, including diameter

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16

Zummah, Atiqoh, Endang Astuti та Bambang Purwono. "Penentuan Tipe Inhibisi Senyawa Analog Kurkumin CA2 terhadap Enzim α-Glukosidase dari Beras Lapuk". Biotropic : The Journal of Tropical Biology 7, № 2 (2023): 52–59. http://dx.doi.org/10.29080/biotropic.v7i2.1952.

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Diabetes is a health problem that exists throughout the world, especially in Indonesia. Based on data compiled from the International Diabetes Federation (IDF) in 2017, people with diabetes in Indonesia reached 10.3 million people, and if not handled properly it is suspected that there will be an increase to 21.3 million people in 2030. Curcumin analog compounds can used for the treatment of diabetes by inhibiting the enzyme α-glucosidase. The curcumin analog compound used in this study was synthesized from 4 methoxybenzaldehyde with cyclopentanone which was then called the CA2 compound. The α

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17

Fayomi, Aisha, Neamat Qutb, and Ohoud Al-Beladi. "The exact extreme value distribution – applied study." International Journal of Advanced Statistics and Probability 5, no. 2 (2017): 87. http://dx.doi.org/10.14419/ijasp.v5i2.7834.

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Extreme value theory is used to develop models for describing the distribution of extreme events. Exact extreme value or compound distri-bution which is based on the theory of the maximum of random variables of random numbers is one of the most important models that are applicable in various situations, for instance of interest, it uses partial duration series (PDF) data to analyze extreme hydrological. As part of our earlier study, the parameters of this model were estimated by two methods, maximum likelihood (ML) and Bayesian- based on non-informative and informative priors. Moreover, a comp

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18

Kifune, Kouichi, Tomoko Fujita, Yoshiki Kubota, Noboru Yamada, and Toshiyuki Matsunaga. "Crystallization of the chalcogenide compound Sb8Te3." Acta Crystallographica Section B Structural Science 67, no. 5 (2011): 381–85. http://dx.doi.org/10.1107/s0108768111033738.

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The crystallization of a sputtered Sb8Te3 film was examined in an X-ray powder diffraction experiment. An as-sputtered, amorphous Sb8Te3 film crystallized during heating into a structure of Sb–Te homologous series modulated along the stacking direction. During heating the lattice parameters and the modulation period γ were found to change significantly and continuously; this observation suggests a continuous change in the stacking sequence. A superspace analysis revealed that with heating the modulation period γ increased to a value that seemed to be determined by the atomic composition. Once

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19

Süleymanoğlu, Nevin, Reşat Ustabaş, Şahin Direkel, Yelda Bingöl Alpaslan, and Yasemin Ünver. "1,2,4-triazole derivatives with morpholine; DFT study and antileishmanial activity." Canadian Journal of Physics 96, no. 7 (2018): 719–23. http://dx.doi.org/10.1139/cjp-2017-0710.

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1,2,4-triazole derivatives with morpholine; 4-((3-methylthiophene–2-yl)methylenamino)-1-((4-(3-methylthiophene–2-yl)methylene amino)-1-(morpholinomethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazole-3-yl)methyl)-3-(thiophene–2-ylmethyl)-1H-1,2,4-triazole-5(4H)-one (compound I) and 1-((1-(morpholinomethyl)–4-(5-nitrothiophene–2-yl)methyleneamino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazole-3-yl)methyl)-4-((5-nitrothiophene–2-yl)methyleneamino)-3-(thiophene–2-ylmethyl)-1H-1,2,4-triazole-5(4H)-one (compound II), were optimized using a density functional theory (DFT) method with 6-311G(d,p) basis set and str

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Кosov, N. А., and O. S. Mechova. "BIOCHEMICAL PARAMETERS OF BLOOD OF PIGS IN TECHNOLOGICAL IMPROVEMENT OF A FULL VALUE NUTRITION." Transactions of the educational establishment “Vitebsk the Order of “the Badge of Honor” State Academy of Veterinary Medicine 57, no. 1 (2021): 128–32. http://dx.doi.org/10.52368/2078-0109-2021-57-1-128-132.

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The data obtained on morphological and biochemical composition of blood of reared pigs, in terms of the level of hemoglobin and erythrocytes, showed that these parameters have a tendency to be more pronounced in the advanced productive group of animals. The results are highlighted on the impact of the developed balancing feed additives included in the composition of low-component compound feeds produced at the designed unit, on morphological and biochemical indices of pig blood. Age-related changes of other parameters were relevant to the physiological state and did not exceed the physiologica

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21

Runde, Musa. "Validation of Essential oils’ Gas Chromatography, Mass Spectrometry Compositional Analysis Using System Independent Parameters; Kovat Index and Fragmentation Pattern." Oriental Journal Of Chemistry 38, no. 6 (2022): 1388–95. http://dx.doi.org/10.13005/ojc/380608.

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One of the challenges in determination of essential oils components using GSMS is the variation of the retention time observed. Kovat index was calculated for each compound identified in eight essential oils samples while the fragmentation pattern of four compounds were illustrated. Kovat index shows, P-xylene has 809 KI, α-pinene 934 and another value of 905. In some oil samples KI value for Limonene is 938, α- Phellandrene has 932 and another value of 933 which occurred at slightly higher retention time of 6.659. Caryophyllene has the lager KI value of 1254 and is consistent in all the sampl

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22

Abbas, Layla Jasim, and Kawkab Ali Hussein. "Novel Benzothiazole Derivatives: Synthesis, Anticancer Activity, Density Function Theory (DFT) Study, and ADMET Prediction." Indonesian Journal of Chemistry 24, no. 5 (2024): 1514. http://dx.doi.org/10.22146/ijc.95838.

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Benzothiazole is an amazing small molecule involved in many applications in industrial and pharmaceutical industries to prepare many candidate compounds as effective drugs. In this study, we presented some derivatives of this compound that were prepared easily and quickly with the help of microwaves to minimize time, energy, and finances. The compounds’ cytotoxicity against the two cell lines SK-GT-4 and AMGM5 was examined. The cytotoxic effect of each compound at different concentrations was measured using the MTT assay. Compounds exhibited no potent cytotoxic effects toward the SK-GT-4 cell

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Esner, Milan, Felix Meyenhofer, Michael Kuhn, Melissa Thomas, Yannis Kalaidzidis, and Marc Bickle. "Development of a Kinetic Assay for Late Endosome Movement." Journal of Biomolecular Screening 19, no. 7 (2014): 1070–78. http://dx.doi.org/10.1177/1087057114524278.

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Automated imaging screens are performed mostly on fixed and stained samples to simplify the workflow and increase throughput. Some processes, such as the movement of cells and organelles or measuring membrane integrity and potential, can be measured only in living cells. Developing such assays to screen large compound or RNAi collections is challenging in many respects. Here, we develop a live-cell high-content assay for tracking endocytic organelles in medium throughput. We evaluate the added value of measuring kinetic parameters compared with measuring static parameters solely. We screened 2

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24

Giridhar, R. "Computational Study of Operating Parameters on Performance of Compound Hydrocyclone." International Journal for Research in Applied Science and Engineering Technology 9, no. VII (2021): 2517–24. http://dx.doi.org/10.22214/ijraset.2021.36878.

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The dynamics of hydro cyclones is complex, because it is a multiphase flow problem that involves interaction between a discrete phase and multiple continuum phases. The performance of hydro cyclones is evaluated by using Computational Fluid Dynamics (CFD), and it is characterized by the pressure drop, split water ratio, and particle collection efficiency. In this paper, a computational model to improve and evaluate hydro cyclone performance is proposed. Computational turbulence models (renormalization group (RNG) k-ε, Reynolds’s stress model (RSM), and large-eddy simulation (LES)) are implemen

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25

Prijadi, Shannon Maidelaine, Safira Aulia, Auliya Afinasari, Levina Aristawidya, Muhammad Dimas Syahrul Hikam, and Muchtaridi Muchtaridi. "In Silico Study of Sesquiterpene and Monoterpene Compounds from Valerian Roots (Valerian officinalis) As Acetylcholinesterase Inhibitor." Indonesian Journal of Computational Biology (IJCB) 1, no. 1 (2022): 1. http://dx.doi.org/10.24198/ijcb.v1i1.35898.

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Introduction: Alzheimer's is a central nervous system disease that can be treated with an acetylcholinesterase enzyme inhibitor drug (AChE), namely rivastigmine. Rivastigmine has side effects such as nausea, vomiting, loss of appetite, headache, weakness, and malaise. Alternative to deal with these side effects is an extracted compound from valerian root with bioactivity as an anti-dementia. The test compounds that performed the activity were 4 variations of sesquiterpenoids (volvalerenal H, volvalerenal I, volvalerenal J, volvalerenic acid K) and 1 monoterpenoid (densispicnins C). Objective:

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Kamil, Farah Q. "Effect of Pb percentage on optical parameters of PbxCd1-xSe thin films." Iraqi Journal of Physics (IJP) 14, no. 29 (2019): 1–7. http://dx.doi.org/10.30723/ijp.v14i29.214.

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PbxCd1-xSe compound with different Pb percentage (i.e. X=0,0.025, 0.050, 0.075, and 0.1) were prepared successfully. Thin filmswere deposited by thermal evaporation on glass substrates at filmthickness (126) nm. The optical measurements indicated thatPbxCd1-xSe films have direct optical energy gap. The value of theenergy gap decreases with the increase of Pb content from 1.78 eV to1.49 eV.

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Irfan, M., S. Azam, F. Subhan, et al. "Proposal of new semiconductors spinel oxides Fe3BO6 and Rh0.08Fe0.92BO6: ab-initio calculations and prospects for optoelectronic and thermoelectric applications." Digest Journal of Nanomaterials and Biostructures 16, no. 4 (2021): 1313–27. http://dx.doi.org/10.15251/djnb.2021.164.1313.

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Transparent conducting oxides (TCOs) are semiconductors gaind much interest due to applications in optoelectronic and tranport properties. Herein, we investigated optoelectronic and tranport properties of Rh doped Fe3BO6 compound. The band structure of parent compound for spin up shows insulating nature while other channel is semiconducting nature (4.181 eV Up/2.41 eV Dn).When spinel material doped with Rh3+ , the band gap is reduced for both spin channels (2.59 eV (Up)/ 0.59 (Dn), respectively. The optical dispersion exhibits strong absorption in the UV region, for both materials. Reflectivit

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D. Purwaningsih, H. Sutrisno, K. H. Sugiyarto, C. Kusumawardani, and N. A. Kusumaningrum. "SYNTHESIS OF LiFe1-xNixPO4/C USING THE REFLUX WITH MICROWAVE IRRADIATION METHOD." RASAYAN Journal of Chemistry 16, no. 02 (2023): 728–34. http://dx.doi.org/10.31788/rjc.2023.1628164.

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The aim of this study was to synthesize LiFe1-xNixPO4/C with x = 0; 0.05; 0.07; 0.09 using the reflux method assisted by microwave irradiation. The goal was to increase the value of the electronic conductivity and reaction rate of Li+ compounds. The results showed that the method successfully synthesized LiFePO4/C and LiFe1-xNixPO4/C with an orthorhombic crystal structure in the Pnma space group. The optimum reflux-microwave irradiation time was 10 minutes, and increasing moles of Ni doping lead to a decrease in the lattice parameters cell volume. The crystalline size ranged from 21.42–22.62 n

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Horakeri, L. D., S. G. Bubbly, and S. B. Gudennavar. "K-Shell Fluorescence Yield of Thorium Present in its Compound." Mapana - Journal of Sciences 8, no. 2 (2009): 54–58. http://dx.doi.org/10.12723/mjs.15.6.

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A simple method, proposed by us earlier, - 2π geometrical configuration coupled with the thickness criterion - to measure the Kshell X-ray fluorescence parameters is extended to high Z material- Thorium. The fluorescent X-rays are generated by a weak Co-57 radioactive source and detected by employing a NaI (Tl) detector spectrometer. Measured value is compared with the best fitted value produced by Hubbell et al. and with the experimental value of Balakrishna et al. We found good agreement with each other, thus establishing the applicability of our simple method for measuring fluorescence yiel

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Carrapiso, Ana I., Aránzazu Rubio, Jacinto Sánchez-Casas, Lourdes Martín, Manuel Martínez-Cañas, and Concha de Miguel. "Effect of the Organic Production and the Harvesting Method on the Chemical Quality and the Volatile Compounds of Virgin Olive Oil over the Harvesting Season." Foods 9, no. 12 (2020): 1766. http://dx.doi.org/10.3390/foods9121766.

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Organic production has increasing importance in the food industry. However, its effect on the olive oil characteristics remains unclear. The purpose of this study was to research into the effect of organic production without irrigation, the traditional harvesting methods (tree vs. ground picked fruits), and the harvesting time (over a six-week period) on the oil characteristics. Free acidity, peroxide value, K232, K270, ΔK, total phenols, oxidative stability and the volatile compound profile (by SPME extraction, gas chromatography and mass detection) of olive oils from the Verdial de Badajoz c

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Aliyev, Y. I., Y. G. Asadov, T. M. Ilyasli, et al. "Structural aspects of thermal properties of AgCuS compound." Modern Physics Letters B 34, no. 05 (2020): 2050066. http://dx.doi.org/10.1142/s0217984920500669.

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The crystal structure and thermal properties of AgCuS compound were investigated at high temperature ranges. It was found that the crystal structure of these compounds has orthorhombic symmetry with Cmcm space group at the normal condition and room temperature. The phase transition to cubic symmetry with Fm3m space group is observed at [Formula: see text] temperature. The endoeffect was observed with a central peak at [Formula: see text] in the differential thermal analysis. The temperature dependence on heat capacity was obtained in the range of [Formula: see text] temperature. Thermodynamic

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Zhang, Shuyue, Xiangyang Liang, and Yang Song. "Research on Amplification Algorithm of Small Sample Soil Composite Data Based on Probability Distribution." Journal of Physics: Conference Series 2872, no. 1 (2024): 012009. http://dx.doi.org/10.1088/1742-6596/2872/1/012009.

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Abstract Analyzing and studying the data of soil compounds from 10 cities, two important features were found in this project. First, the data for all compounds in soil follow a normal distribution with different parameters. Therefore, this paper argues that small-sample soil compound amplification data should also have these two characteristics. Based on this, this paper proposes a new algorithm called PDWCC (probability distribution with correlation coefficient) for amplification of small-sample soil compound data. The algorithm combines a probability distribution with a Pearson correlation c

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Muhammad, Yakubu Ya'u, and Adamu Uzairu. "Computational studies of some benzothiazinone-pepirazine derivatives and lipase b inhibitor for mycobacterium tuberculosis." Journal of Engineering and Exact Sciences 6, no. 4 (2020): 0453–66. http://dx.doi.org/10.18540/jcecvl6iss4pp0453-0466.

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Computational technique was employed on Benzothiazinone-pepirazine derivatives as dominant anti-mycobacterium tuberculosis. The compound structures were drawn with the aid of chemdraw 3D Pro 12.1.0V and optimized was employed using DFT method applying B3LYP with the 6-31G? basis set. Genetic Function Approximation (GFA) was employed to form five models. Model 1 was sorted out based on model validation parameters and found to be significant with R2 value of 0.948605, R2adj(adjusted correlation coefficient) value of 0.934329, QLoo(Cross validation coefficient) value 0.892724 and R2pred value of

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YILDIZ, G., and Ö. DURNA AYDIN. "Effect of glauconite, sepiolite and oil supplementation on pellet quality parameters in poultry compound feed." Journal of the Hellenic Veterinary Medical Society 71, no. 3 (2020): 2391. http://dx.doi.org/10.12681/jhvms.25101.

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The aim of this study was conducted to determine the effect of glauconite, sepiolite and oil on pellet quality parameters in poultry compound feed. There are limited studies with supplementation of different levels of sepiolite and glauconite clay minerals in diets about pellet quality during the pelleting processes. Thus, the effect of sepiolite and glauconite on pellet quality parameters was investigated in our study. The study was carried out in two different. Firstly, 1% and 2% levels sepiolite and glauconite were added to each concentrate in pellet production without adding oil. Secondly,

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Alfin, Mohammad. "Synthesis and Toxicity Test of Schiff Base Compound from 4-Formylpyridine and p¬-Anisidine Using Stirrer Method with Water Solvent." Proceedings of the International Conference on Green Technology 11, no. 1 (2021): 33. http://dx.doi.org/10.18860/icgt.v11i1.1399.

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Abstract- Schiff base is a compound that is produced when primary amine and aldehydes or ketones reacted under certain situations. Schiff base compounds have the characteristic of a C=N (imine) functional group. The Schiff base compound was synthesized from 4-formylpyridine and p-anisidine using a stirrer method with water as the solvent and a 15-minute synthesis time. FTIR spectrophotometer and GC-MS are being used to identify the product of Schiff base compound. The BSLT (Brine Shrimp Lethality Test) method has been used to test the toxicity and LC50 values are used as parameters for the tox

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Zazharskyi, V. V., O. A. Bigdan, V. V. Parchenko, et al. "Toxicity parameters of a new 1,2,4-triazole derivative when subcutaneously injected to guinea pigs." Regulatory Mechanisms in Biosystems 15, no. 1 (2024): 166–70. http://dx.doi.org/10.15421/022424.

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The results of the literature analysis indicate a wide spectrum of biological activity of 1,2,4-triazole derivatives. Low toxicity, reactivity, and high biological activity of 1,2,4-triazole derivatives make this class of compounds very attractive. The obtained data determine the relevance of further studies of 1,2,4-triazole derivatives to find new highly effective biologically active substances that can become the basis for new medicines. Our further work aimed to study some toxicity parameters of 3-(3-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]-triazolo-[3,4-b][1,3,4] thiadiazine when admi

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Lozynskyi, Andrii, Yulian Konechnyi, Julia Senkiv, et al. "Synthesis and Biological Activity Evaluation of Novel 5-Methyl-7-phenyl-3H-thiazolo[4,5-b]pyridin-2-ones." Scientia Pharmaceutica 89, no. 4 (2021): 52. http://dx.doi.org/10.3390/scipharm89040052.

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A series of 5-methyl-7-phenyl-3H-thiazolo[4,5-b]pyridin-2-ones has been designed, synthesized, and characterized by spectral data. Target compounds were screened for their antimicrobial activity against some pathogenic bacteria and fungi, and most of them showed moderate activity, especially compound 3g, which displayed the potent inhibitory effect against Pseudomonas aeruginosa and Escherichia coli with MIC value of 0.21 μM. The active thiazolopyridine derivatives 3c, 3f, and 3g were screened for their cytotoxicity effects on HaCat, Balb/c 3T3 cells using MTT assay, which revealed promising r

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Yunitasari, Norainny, Tri Joko Raharjo, Respati Tri Swasono та Harno Dwi Pranowo. "Identification α-Amylase Inhibitors of <i>Vernonia amygdalina</i> Leaves Extract Using Metabolite Profiling Combined with Molecular Docking". Indonesian Journal of Chemistry 22, № 2 (2022): 526. http://dx.doi.org/10.22146/ijc.71499.

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Vernonia amygdalina was reported to be used as a therapy for Diabetes Mellitus (DM). One of the mechanisms of therapy DM was to inhibit the action of the α-amylase enzyme. This study aimed to prove the presence of compounds that could inhibit the action of α-amylase. Vernonia amygdalina leaves were macerated with methanol and partitioned into n-hexane, dichloromethane (DCM), and ethyl acetate (EtOAc). Furthermore, they were tested for α-amylase inhibitory activity and analyzed using liquid chromatography-high resolutions mass spectrometry (LC-HRMS). Molecular docking and molecular dynamics sim

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Anashafer, R. L., J. Harsha, S. P. Selvin Pragalath Paul, and T. F. Abbs Fen Reji. "Geometrical Electronic parameters, Vibrational Assignment docking studies, Antioxidant and Anticancer Activities of (1- benzyl)-2-(-2-Methoxyphenylamino thiazol-4yl)benzimidaole." Research Journal of Chemistry and Environment 28, no. 4 (2024): 66–74. http://dx.doi.org/10.25303/284rjce066074.

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The compound(1- benzyl)-2-(-2-Methoxyphenylamino thiazol-4yl)benzimidazole was characterized by IR spectral data The optimized .molecular geometry ,bond lengths, bond angle and dihedral angle of the titled compound have been investigated by Density Functional Theory (DFT) method, using B3LYP method with 3-21G basic set available in Gaussian 09 package. The IR spectra were obtained and assigned by vibrational analysis and found to be reliable compared with the literature observation. The Mulliken population analysis on atomic charges has been computed using DFT calculation. The calculated HOMO

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Akimov, K. O., E. N. Boyangin, and Vladimir E. Ovcharenko. "Features of Regularities of Ni₃Al Intermetallic Compound High-Temperature Synthesis in a Powder Mixture (3Ni + Al) under Pressure." Materials Science Forum 938 (October 2018): 41–45. http://dx.doi.org/10.4028/www.scientific.net/msf.938.41.

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The results of investigation of the time and power parameters influence of high-temperature synthesis under pressure on the grain structure formation and strength properties of the Ni3Al intermetallic compound are presented and discussed. Dependences of the grain size in the intermetallic compound synthesized under pressure and its strength properties on the value of the preload on the initial powder mixture (3Ni + Al) and on the delay time of pressure application to the thermoreacting system were determined from the time of initiation of intermetallic compound formation volumetric exothermic

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Ibrahim, Ibrahim Tijjani, Adamu Uzairu, and Balarabe Sagagi. "QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP AND MOLECULAR DOCKING STUDIES OF HYDROXAMIC ACID DERIVATIVES AS NOVEL CLASS INHIBITORS AGAINST HELICOBACTER PYLORI UREASE." Journal of Engineering and Exact Sciences 5, no. 5 (2019): 0482–93. http://dx.doi.org/10.18540/jcecvl5iss5pp0482-0493.

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In order to develop quantitative structure-activity relationship (QSAR), for predicting antiulcer activity of hydroxamic acid analogues use as dataset and their antiulcer activity were obtained from the literature. Density Functional Theory (DFT) using B3LYP/6-31G* quantum chemical calculation method was used to find the optimized geometry of the studied compounds. Eight types of molecular descriptors were used to find out the relation between antipeptic ulcer (APU) activity and structural properties. Relevant molecular descriptors were selected by Genetic Function Algorithms (GFA). The best m

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Firdaus, Firdaus, Jumina Jumina, and Hardjono Sastrohamidjojo. "EFFECT OF DE-tert-BUTYLATION AND FUNCTIONALIZATION WITH AMINE GROUPS AT THE UPPER RIM OF p-tert-BUTYLCALIX[4]ARENE TO THE EXTRACTABILITY FOR Cr³⁺, Cd²⁺ and Pb²⁺ IONS." Indonesian Journal of Chemistry 7, no. 3 (2010): 289–96. http://dx.doi.org/10.22146/ijc.21671.

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The effects to the extractability forwards Cr3+, Cd2+, and Pb2+ ions of de-tert-butylation and functionalization with amine groups at the upper rim of p-tert-butylcalix[4]arene had been studied by applied the p-tert-butylcalix[4]arene (1), tetrahydroxycalix[4]arene (2), and p-(amino)butoxycalixarene (3) compounds as extractants for the heavy metals ions. The extraction involved optimise of three parameters, i.e. pH, time, and concentration of extractants. The extraction degrees of the heavy metals ions at optimum conditions were compared each other to decide the effects. Compound 1 showed high

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Wang, Xiandong, Jianmin He, and Shouwei Li. "Compound Option Pricing under Fuzzy Environment." Journal of Applied Mathematics 2014 (2014): 1–9. http://dx.doi.org/10.1155/2014/875319.

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Considering the uncertainty of a financial market includes two aspects: risk and vagueness; in this paper, fuzzy sets theory is applied to model the imprecise input parameters (interest rate and volatility). We present the fuzzy price of compound option by fuzzing the interest and volatility in Geske’s compound option pricing formula. For eachα, theα-level set of fuzzy prices is obtained according to the fuzzy arithmetics and the definition of fuzzy-valued function. We apply a defuzzification method based on crisp possibilistic mean values of the fuzzy interest rate and fuzzy volatility to obt

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Sharma, S., A. Soni, J. Sahariya, K. Rangar, and K. Rawat. "First Principle Investigations of K doped CuInSe₂ for Optoelectronic Applications." Journal of Physics: Conference Series 2844, no. 1 (2024): 012009. https://doi.org/10.1088/1742-6596/2844/1/012009.

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Abstract CuInSe2 is a ternary compound and a fine viable substitute of polycrystalline silicon for photovoltaic applications. In this work we computationally investigated the consequence of K atom doping in CuInSe2. The structural, electronic, and optical features of the K doped CuInSe2 compound was calculated using the full potential linearized augmented plane wave approach (FP-LAPW). Furthermore, the Wien2k algorithm performs the most accurate Tran-Blaha modified Becke-Johnson (TB-mBJ) exchange approximation. To ascertain the adaptability of compound under study, optical parameters including

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Mahgoub Mohamed, Hiba Hashim, Amna Bint Wahab Elrashid Mohammed Hussien, and Ahmed Elsadig Mohammed Saeed. "QSAR and docking studies of 3, 5-dimethylpyrazole as potent inhibitors of Phosphodiesterase-4." Journal of Drug Delivery and Therapeutics 11, no. 1-s (2021): 86–93. http://dx.doi.org/10.22270/jddt.v11i1-s.4718.

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A quantitative structure-activity relationship (QSAR) study was performed to develop a model on a series of 3, 5-dimethylpyrazole containing furan moiety derivatives which exhibited considerable inhibitory activity against PDE4B. The obtained model has correlation coefficient (r) of 0.934, squared correlation coefficient (r2) of 0.872, and leave-one-out (LOO) cross-validation coefficient (Q2) value of 0.733. The predictive power of the developed model was confirmed by the external validation which has (r2) value of 0.812. These parameters confirm the stability and robustness of the model to pr

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Hu, Li, Yachao Qin, Yeqing Wan, et al. "Predicting Occupant Annoyance in Acoustic-Thermal Compound Environments." Electronics 14, no. 10 (2025): 1932. https://doi.org/10.3390/electronics14101932.

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With heavy trucks being more widely used in the logistics industry, more and more lorry drivers are frequently exposed to the acoustic-thermal dynamically coupled cockpit environment for a long time. The comfort in the cockpit directly affects driving safety and occupational health. However, the existing research lacks a multi-parameter fusion prediction method for occupant annoyance in this scenario. In this paper, we studied the effect of an acoustic-thermal composite environment on the annoyance level of truck occupants and predicted the annoyance level of the human body by combining enviro

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Zadrąg, Ryszard, and Tomasz Kniaziewicz. "Ranking of Toxic Compound Concentrations As Diagnostic Parameetrs of Marine Internal Combustion Engine." Polish Maritime Research 25, s1 (2018): 234–42. http://dx.doi.org/10.2478/pomr-2018-0047.

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Abstract Changing selected engine structure parameters, especially fuel system parameters, affects the emission of harmful compounds in the exhaust gas. Changes in harmful compound emission are frequently ambiguous, as they highly depend on parameters controlling the combustion process. An additional problem is that simple interactions are frequently accompanied with mutual influence of these parameters. Therefore, we can say about different sensitivity of diagnostic parameters to the same excitations coming from the engine structure but executed at different loading states. When the set of di

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Rihia, G., M. S. Mahboub, S. Zeroual, et al. "Effect of synthesis method on the structural behavior of CaFeO2.5 compound." Physics and Chemistry of Solid State 23, no. 2 (2022): 249–55. http://dx.doi.org/10.15330/pcss.23.2.249-255.

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CaFeO2.5 samples were synthesized by solid solution, mirror furnace and Sol-gel methods. The effect of the synthesis method on the behavior structure was investigated. Phase structures are comparatively characterized and studied by means of X-ray powder diffraction. Experimental results have revealed that the synthesis method has a strong influence on the structure of the studied compounds. All samples obtained by the three methods are crystallized in the Pnma orthorhombic system. We obtained the best results in the case of the Sol-gel technique. In the Sol-gel method, the lattice parameters o

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Paramita, Sari, Maylani Permata S., Eva Vaulina Y.D., Nasrokhah Nasrokhah, and Ponco Iswanto. "Pemilihan Metode Perhitungan Kimia Komputasi Semi-empiris untuk Pengembangan 1,3,4-Thiadiazole." Indo. J. Chem. Res. 8, no. 1 (2020): 51–56. http://dx.doi.org/10.30598/10.30598//ijcr.2020.8-pon.

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Computational chemistry methods are those used to help researchers design chemical compounds optimally, so that experiments and mistakes do not need to be done in the laboratory. This is a very important step because it can save costs, chemicals, and also the time spent. The method used in this study is semi-empirical, while the parameters used in this study are the infrared (IR) spectrum and the core magnetic resonance (NMR) spectrum which will be matched with the results of the study. The compound to be investigated is 1,3,4-Thiadiazole is a heterocyclic compound which is very useful in the

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Paramita, Sari, Maylani Permata S., Eva Vaulina Y.D., Nasrokhah Nasrokhah, and Ponco Iswanto. "Pemilihan Metode Perhitungan Kimia Komputasi Semi-empiris untuk Pengembangan 1,3,4-Thiadiazole." Indonesian Journal of Chemical Research 8, no. 1 (2020): 51–56. http://dx.doi.org/10.30598/ijcr.2020.8-pon.

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Computational chemistry methods are those used to help researchers design chemical compounds optimally, so that experiments and mistakes do not need to be done in the laboratory. This is a very important step because it can save costs, chemicals, and also the time spent. The method used in this study is semi-empirical, while the parameters used in this study are the infrared (IR) spectrum and the core magnetic resonance (NMR) spectrum which will be matched with the results of the study. The compound to be investigated is 1,3,4-Thiadiazole is a heterocyclic compound which is very useful in the

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