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Journal articles on the topic 'Reference reaction'

Author: Grafiati

Published: 28 May 2022

Last updated: 30 July 2025

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1

McLeod, Alexander, Lena Viviane Buehre, and Walter Mérida. "(General Student Poster Session Winner - 2nd Place) Electrolysis Reference Electrode Methodology, and Electrochemical Modelling Applications." ECS Meeting Abstracts MA2022-01, no. 55 (2022): 2297. http://dx.doi.org/10.1149/ma2022-01552297mtgabs.

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The added constraints of fuel cells and electrolysers can make incorporating reference electrodes into their design a complex and invasive process. One set of solutions to this problem includes placing multiple reference electrodes around the perimeter to be the least invasive as possible, adding a catalyst patch to the membrane to keep potentials from fluctuating, and using additional hydrogen producing electrodes as a reference for potential [1]. The referenced approach has been proven to work in fuel cells; this work seeks to apply the referenced methodology to electrolysers, and expand upo

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2

Binninger, Tobias, Adrian Heinritz, and Rhiyaad Mohamed. "Ideal gas reference for association/dissociation reactions: Concentration bias and kinetic reference voltage/potentials in electrolysis." Journal of Chemical Physics 158, no. 12 (2023): 124129. http://dx.doi.org/10.1063/5.0118467.

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The water electrolysis reaction involves a large kinetic overvoltage, and considerable research efforts are currently devoted to the search for better electrocatalysts. It is commonly expected that, at least, in principle, an ideal electrocatalyst would enable significant reaction rates close to the equilibrium voltage. In the present work, we question this expectation. For reactions, such as water electrolysis, which involve a significant change in the concentration between the reactant and product states, the position of the equilibrium voltage generally becomes decoupled from the onset of m

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Mun, Sun-Yeo, and Cheol-Hong Hwang. "Experimental and Numerical Studies on Major Pyrolysis Properties of Flame Retardant PVC Cables Composed of Multiple Materials." Materials 13, no. 7 (2020): 1712. http://dx.doi.org/10.3390/ma13071712.

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Flame retardant cables were investigated using thermo-gravimetric analysis to measure the reference temperature and reference rate required for a fire spread simulation using a Fire Dynamics Simulator (FDS). Sensitivity analysis was also performed to understand the effects of the reference temperature and rate on the pyrolysis reactions. A two-step pyrolysis reaction was typically observed regardless of the cable type, and each pyrolysis reaction could be attributed to single or multiple components depending on the cable type and reaction order. Although the structures, compositions, and insul

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Kalamara, A., M. Serris, A. Spiliotis, et al. "Activation cross section of the (n,2n) reaction on Hf isotopes." HNPS Proceedings 23 (March 8, 2019): 47. http://dx.doi.org/10.12681/hnps.1906.

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Cross sections of the 174Hf(n,2n)173Hf and 176Hf(n,2n)175Hf reactions have been experimentally determined relative to the 27Al(n,α)24Na reference reaction at incident neutron energies of 15.3 and 17.1 MeV by means of the activation technique. The irradiations were carried out at the 5 MV tandem T11/25 Accelerator Laboratory of NCSR "Demokritos" with monoenergetic neutron beams provided via the 3H(d,n)4He reaction, using a new Ti-tritiated target of 373 GBq activity. In the determination of the 176Hf(n,2n)175Hf reaction cross section the contamination of the 174Hf(n,γ)175Hf and 177Hf(n,3n)175Hf

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5

Gadewar, Sagar B., Gerhard Schembecker, and Michael F. Doherty. "Selection of reference components in reaction invariants." Chemical Engineering Science 60, no. 24 (2005): 7168–71. http://dx.doi.org/10.1016/j.ces.2005.06.026.

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6

Taimela, Simo, and Urho M. Kujala. "Reaction Times with Reference to Musculoskeletal Complaints in Adolescence." Perceptual and Motor Skills 75, no. 3_suppl (1992): 1075–82. http://dx.doi.org/10.2466/pms.1992.75.3f.1075.

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Recent studies have related long reaction times and various musculoskeletal complaints in different groups of adults. The aim here was to analyze reaction times with reference to musculoskeletal complaints in adolescent athletes and controls. Simple reaction time and choice reaction time were measured, and inquiries made about various musculoskeletal injuries of 119 subjects aged 11 to 14 years. Gender, age, maturational age, body composition, and participation in sports were included in the analyses as subject-related factors affecting reaction times. Prolonged simple reaction time was relate

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7

Mashtakov, Yaroslav Vladimirovich, and Stepan Sergeevich Tkachev. "Reference angular motion synthesis for reaction wheels desaturation." Keldysh Institute Preprints, no. 78 (2017): 1–32. http://dx.doi.org/10.20948/prepr-2017-78.

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8

Mashtakov, Yaroslav Vladimirovich, and Stepan Sergeevich Tkachev. "Reference angular motion synthesis for reaction wheels desaturation." Keldysh Institute Preprints, no. 78-e (2017): 1–28. http://dx.doi.org/10.20948/prepr-2017-78-e.

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9

Kad, Megha, and Ranjana Bhadane. "Quantitative Kinetics of the Rapid Bromination of Isoxazole in Bromide-Free Aqueous Medium using Hydrodynamic Voltammetry." Journal of ISAS 3, no. 2 (2024): 14–24. http://dx.doi.org/10.59143/isas.jisas.3.2.yfsd8689.

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The kinetics of rapid bromination of isoxazole by molecular bromine at pH 4.7 have been studied quantitatively. Bromination of isoxazole is an electrophilic substitution reaction where the inductive effect and resonance effect govern reactivity and orientation respectively. Isoxazoles have a broad range of applications in pharmaceuticals and therapeutics. Hence the quantitative kinetic study will help in these applications. The bromination reactions are rapid electrophilic substitution reactions with a half-life of a few seconds, therefore the kinetic data regarding the bromination was lacking

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10

Luo, Lei, Li Che, Wenwen Xia, and Li Yao. "Theoretical studies on anharmonic effect and reaction mechanism of reaction CMP+OH." Journal of Physics: Conference Series 2888, no. 1 (2024): 012006. http://dx.doi.org/10.1088/1742-6596/2888/1/012006.

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Abstract The reaction rate constants between 3-chloro-2-methylpropene (CMP) and OH radical were calculated utilizing the Yao-Lin (YL) method, which concluded harmonic and anharmonic values. In this paper, the anharmonic effect and reaction mechanism of the title reaction and its subsequent reactions were supplied with a detailed analysis. In the CMP+OH reaction, there are two reaction complexes, eight intermediate complexes, nine transition states, and seven products. The optimizations and frequencies of all molecular configurations were calculated at the M06-2X/6-311++G(2d,p) level, and the s

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Vlastou, R., D. Sigalas, A. Kalamara, et al. "Neutron Beam Characterization at the Athens Tandem Accelerator NCSR “Demokritos”." HNPS Proceedings 23 (March 8, 2019): 34. http://dx.doi.org/10.12681/hnps.1904.

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A new Ti-tritiated target of 373 GBq activity has been installed at the 5.5MV tandem T11/25 Accelerator of NCSR "Demokritos", to produce neutrons in the energy range ~15-21 MeV by means of the 3H(d,n)4He reaction. The flux variation of the neutron beam is monitored with a BF3 detector, while the absolute flux is obtained with respect to reference reactions, such as the 27Al(n,a) reference reaction. In absence of time-of-flight capabilities, the energy spectrum of the neutron beam has been investigated by means of Monte Carlo simulations as well as by the Multiple Foil Activation Analysis techn

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Sá Neto, José Luiz de, Marcelo Novelino Simão, Michel Daoud Crema, Edgard Eduard Engel, and Marcello Henrique Nogueira-Barbosa. "Diagnostic performance of magnetic resonance imaging in the assessment of periosteal reactions in bone sarcomas using conventional radiography as the reference." Radiologia Brasileira 50, no. 3 (2017): 176–81. http://dx.doi.org/10.1590/0100-3984.2015.0166.

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Abstract Objective: To evaluate the performance of magnetic resonance imaging (MRI) in detecting periosteal reactions and to compare MRI and conventional radiography (CR) in terms of the classification of periosteal reactions. Materials and Methods: Retrospective study of 42 consecutive patients (mean age, 22 years; 20 men) with a confirmed diagnosis of osteosarcoma or Ewing's sarcoma, MRI and CR images having been acquired pretreatment. Three blinded radiologists detected periosteal reactions and evaluated each periosteal reaction subtype in CR and MRI images: Codman's triangle; laminated; an

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13

Taylor, Annette F. "Mechanism and Phenomenology of an Oscillating Chemical Reaction." Progress in Reaction Kinetics and Mechanism 27, no. 4 (2002): 247–326. http://dx.doi.org/10.3184/007967402103165414.

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Chemical reactions, which are far from equilibrium, are capable of displaying oscillations in species concentrations and hence in colour, electrode potential, pH and/or temperature. The oscillations arise from the interplay between positive and negative kinetic feedback. Mechanisms for such reactions are presented, along with the rich phenomenology that these systems exhibit, from complex oscillations and chemical waves, to stationary concentration patterns. This review will focus on the Belousov-Zhabotinksy reaction but reference to other reactions will be made where appropriate.

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Salmar, Siim, Jaak Järv, Tiina Tenno, and Ants Tuulmets. "Role of water in determining organic reactivity in aqueous binary solvents." Open Chemistry 10, no. 5 (2012): 1600–1608. http://dx.doi.org/10.2478/s11532-012-0080-8.

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AbstractKinetic data for organic reactions in various binary water-organic solvent mixtures were collected and quantitatively analysed in terms of linear-free-energy relationships by using tert-butyl chloride (2-chloro-2-methylpropane) solvolysis as the reference system. Linear similarity plots for these kinetic data were determined for solvent systems ranging from pure water mixtures up to considerable amount of cosolvent, and 161 similarity coefficients were calculated from slopes of these plots. The existence of these linear plots demonstrated that the solvent effects are of some common nat

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15

Bansal, Parit, Anne Morgat, Kristian B. Axelsen, et al. "Rhea, the reaction knowledgebase in 2022." Nucleic Acids Research 50, no. D1 (2021): D693—D700. http://dx.doi.org/10.1093/nar/gkab1016.

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Abstract Rhea (https://www.rhea-db.org) is an expert-curated knowledgebase of biochemical reactions based on the chemical ontology ChEBI (Chemical Entities of Biological Interest) (https://www.ebi.ac.uk/chebi). In this paper, we describe a number of key developments in Rhea since our last report in the database issue of Nucleic Acids Research in 2019. These include improved reaction coverage in Rhea, the adoption of Rhea as the reference vocabulary for enzyme annotation in the UniProt knowledgebase UniProtKB (https://www.uniprot.org), the development of a new Rhea website, and the designation

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16

Patas, Stavros. "Activation Cross Section Measurement of the (n,2n) Reaction on 203Tl." HNPS Advances in Nuclear Physics 28 (October 17, 2022): 242–46. http://dx.doi.org/10.12681/hnps.3713.

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The aim of the present work was to study the cross-section of the (n,2n) reaction on 203Tl, by irradiating a natural TlCl pellet target with monoenergetic neutron beam at 18.9 MeV. The cross section of the 203Tl(n,2n)202Tl reaction, was measured implementing the activation method, with respect to the 197Au(n,2n)196Au and 27Al(n,α)24Na reference reactions. The monoenergetic neutron beam was produced in the 5.5 MV Tandem accelerator of NCSR Demokritos, using the 3H(d,n)4He reaction. After the irradiation, the induced activity of the samples was measured with a HPGe detector, which was properly s

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17

Yang, Zijiang, Furong Cao, Huiying Cheng, Siwen Liu, and Jingchang Sun. "A Globally Accurate Neural Network Potential Energy Surface and Quantum Dynamics Studies on Be+(2S) + H2/D2 → BeH+/BeD+ + H/D Reactions." Molecules 29, no. 14 (2024): 3436. http://dx.doi.org/10.3390/molecules29143436.

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Chemical reactions between Be+ ions and H2 molecules have significance in the fields of ultracold chemistry and astrophysics, but the corresponding dynamics studies on the ground-state reaction have not been reported because of the lack of a global potential energy surface (PES). Herein, a globally accurate ground-state BeH2+ PES is constructed using the neural network model based on 18,657 ab initio points calculated by the multi-reference configuration interaction method with the aug-cc-PVQZ basis set. On the newly constructed PES, the state-to-state quantum dynamics calculations of the Be+(

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18

Anastasiou, Maria. "6Li(n,t)α reaction event-identification for the 235U(n,f)/6Li(n,t) cross section ratio measurement in the NIFFTE fissionTPC". HNPS Advances in Nuclear Physics 28 (17 жовтня 2022): 30–35. http://dx.doi.org/10.12681/hnps.3567.

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While nuclear data play an important role in nuclear physics applications, it has become important to have a better understanding of the data and try to minimize the uncertainties. In particular, there is a need for precision neutron-induced fission cross section measurements on fissile nuclei. Neutron-induced fission cross sections are typically measured as ratios, with a well-known standard in the denominator. While the 235U(n,f) reaction is a well measured standard, some light particle reactions are also well-known and their use as reference can provide information to remove shared systemat

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19

Su, Xin Fang. "Density Functional Studies on the Standard Heats of Formation for Nitroaromatic Molecules." Advanced Materials Research 1095 (March 2015): 415–18. http://dx.doi.org/10.4028/www.scientific.net/amr.1095.415.

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The standard heats of formation for 12 nitroaromatic molecules in gas at 298 K were calculated at B3P86/6-311G** levels using different isodesmic reactions. Comparison between the computational results and the experimental values reveals that using methane as reference compound to design isodesmic reaction is able to predict satisfactory results of heats of formation for ortho-substituted nitroaromatic molecules; however, using benzene as reference compound is able to give agreement with experimental data for meta-substituted and para-substituted nitroaromatic molecules.

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20

Vosloo, H. C. M., and J. A. K. Du Plessis. "A review of the mechanisms of the olefin metathesis reaction." Suid-Afrikaanse Tydskrif vir Natuurwetenskap en Tegnologie 7, no. 4 (1988): 154–61. http://dx.doi.org/10.4102/satnt.v7i4.921.

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During the olefin metathesis reaction carbon-carbon double bonds are broken and rearranged to give a redistribution of alkilydene groups. A review of the different mechanistic approaches is given under the headings: The pairwise mechanism; The metal carbene chain mechanism with reference to the formation of the carbene and metallacyclobutane intermediate; The reactions of the olefins; and The degradation of unsaturated polymers.

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21

Mir, M. Amin, and Mohammad Waqar Ashraf. "TG, DTA Pyrolytic Analysis of Cobalt, Nickel, Copper, Zinc, and 5,8-Dihydroxy-1,4-Naphthoquinone Chelate Complexes." Journal of Chemistry 2021 (May 4, 2021): 1–13. http://dx.doi.org/10.1155/2021/6691137.

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The solid state reactions identified on the TG traces with correspondence to DTG peaks consequent to the nonisothermal decomposition of polymetallic chelates of the naphthazarin with Zn (II), Co (II), Ni (II), and Cu (II) over the temperature range ambient at 800°C have been studied kinetically following the Dave and Chopra method as these solid state reactions exhibited their resemblance with the Freeman recommended reaction for kinetic studies. The solid state reactions as described followed first order kinetics. The kinetic data showed the very low value of Z for each of the solid state rea

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22

Cheng, Maurice M. W. "Students' visualisation of chemical reactions – insights into the particle model and the atomic model." Chemistry Education Research and Practice 19, no. 1 (2018): 227–39. http://dx.doi.org/10.1039/c6rp00235h.

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This paper reports on an interview study of 18 Grade 10–12 students’ model-based reasoning of a chemical reaction: the reaction of magnesium and oxygen at the submicro level. It has been proposed that chemical reactions can be conceptualised using two models: (i) theparticle model, in which a reaction is regarded as the simple combination and rearrangement of reactant particles and does not involve any change in the identity of the reactants, and (ii) theatomic model, wherein a reaction involves the transformation of one chemical species into another. This paper suggests that although theparti

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George, Sandhya, P. Deepthi, Anita Sanker, and Neelakandhan Asokan. "A cross-sectional study of adverse cutaneous drug reactions with special reference to reaction time." Muller Journal of Medical Sciences and Research 13, no. 2 (2022): 98. http://dx.doi.org/10.4103/mjmsr.mjmsr_49_22.

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Schüttler, Janik, Robert L. Jack, and Michael E. Cates. "Effects of phase separation on extinction times in population models." Journal of Statistical Mechanics: Theory and Experiment 2024, no. 8 (2024): 083209. http://dx.doi.org/10.1088/1742-5468/ad5c59.

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Abstract We study the effect of phase-separating diffusive dynamics on the mean time to extinction (MTE) in several reaction-diffusion models with slow reactions. We consider a continuum theory similar to model AB, and a simple model where individual particles on two sites undergo on-site reactions and hopping between the sites. In the slow-reaction limit, we project the models’ dynamics onto suitable one-dimensional reaction coordinates, which allows the derivation of quasi-equilibrium effective free energies. For weak noise, this enables characterisation of the MTE. This time can be enhanced

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Hao, Yixin, Jun Zhou, Jie-Ping Zhou, et al. "Measuring and modeling investigation of the net photochemical ozone production rate via an improved dual-channel reaction chamber technique." Atmospheric Chemistry and Physics 23, no. 17 (2023): 9891–910. http://dx.doi.org/10.5194/acp-23-9891-2023.

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Abstract. Current process-based research mainly uses box models to evaluate photochemical ozone production and destruction rates, and it is unclear to what extent the photochemical reaction mechanisms are elucidated. Here, we modified and improved a net photochemical ozone production rate (NPOPR, P(O3)net) detection system based on the current dual-channel reaction chamber technique, which makes the instrument applicable to different ambient environments, and its various operating indicators were characterized, i.e., “airtightness”, light transmittance, wall losses of the reaction and referenc

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Pineda, J. R. E. T., and S. D. Schwartz. "Protein dynamics and catalysis: the problems of transition state theory and the subtlety of dynamic control." Philosophical Transactions of the Royal Society B: Biological Sciences 361, no. 1472 (2006): 1433–38. http://dx.doi.org/10.1098/rstb.2006.1877.

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This manuscript describes ongoing research on the nature of chemical reactions in enzymes. We will investigate how protein dynamics can couple to chemical reaction in an enzyme. We first investigate in some detail why transition state theory cannot fully describe the dynamics of chemical reactions catalysed by enzymes. We describe quantum theories of chemical reaction in condensed phase including studies of how the symmetry of coupled vibrational modes differentially affects reaction dynamics. We make reference to previous work in our group on a variety of condensed phase chemical reactions (l

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Moiseev, A. V., N. M. Maximov, P. S. Solmanov, and V. A. Tyshchenko. "Research of Kinetic Features of Hydrodesulfurization, Hydrodenitrogenation, and Hydrogenation of Heavy Petroleum Compounds on Sulphide Ni<sub>6</sub>PMo<sub><i>n</i></sub>W<sub>(12 – <i>n</i>)</sub>/Al<sub>2</sub>O<sub>3</sub> Hydrotreating Catalysts." Кинетика и катализ 64, no. 2 (2023): 189–202. http://dx.doi.org/10.31857/s0453881123020053.

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Kinetic studies of hydrodesulfurization and hydrodenitrogenation reactions were carried out, as well as a comparison of the hydrogenating activity of the synthesized Ni6PMonW(12 – n)/Al2O3 catalysts and an industrial reference catalyst in the process of hydrotreating of heavy mixed oil feedstock. As it was shown, the HDS reaction is described by a pseudosecond order equation, while the HDN reaction is described by a pseudofirst order. The obtained hydrogenates meet the requirements for the quality of feedstock of catalytic cracking plants in terms of coking capacity, sulfur and nitrogen conten

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Gandhi, A., Aman Sharma, Rebecca Pachuau та ін. "Measurement of (n,α) and (n,2n) reaction cross sections at a neutron energy of 14.92 ± 0.02 MeV for potassium and copper with uncertainty propagation *". Chinese Physics C 46, № 1 (2022): 014002. http://dx.doi.org/10.1088/1674-1137/ac2ed4.

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Abstract Experimentally measured neutron activation cross sections are presented for the (n,α) , (n,α) , and (n,2n) reactions with detailed uncertainty propagation. The neutron cross sections were measured at an incident energy of 14.92 ± 0.02 MeV, and the neutrons were based on the t(d,n)α fusion reaction. The (n,α) reaction was used as a reference reaction for the normalization of the neutron flux. The pre-calibrated lead-shielded HPGe detector was used to detect the residues' γ-ray spectra. The data from the measured cross sections are compared to the previously measured cross sections from

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Balaji, Bala Shyamala, Nirav Bhatt, and Sridharakumar Narasimhan. "Optimal Selection of Reference Components and Measurements in Reaction Systems." Industrial & Engineering Chemistry Research 57, no. 44 (2018): 15096–104. http://dx.doi.org/10.1021/acs.iecr.8b02993.

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Bhat, Somanath, and Kerry R. Emslie. "Digital polymerase chain reaction for characterisation of DNA reference materials." Biomolecular Detection and Quantification 10 (December 2016): 47–49. http://dx.doi.org/10.1016/j.bdq.2016.04.001.

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Sun, Liping. "Effectiveness and Safety of Low-flow Sevoflurane Combined with Remifentanil on Anaesthesia of Patients Undergoing Gynaecological Laparoscopic Surgery." Advances in Obstetrics and Gynecology Research 2, no. 5 (2024): 1–7. http://dx.doi.org/10.26689/aogr.v2i5.8760.

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Objective: To evaluate the advantages of sevoflurane (low-flow) + remifentanil for patients undergoing gynaecological laparoscopic surgery. Methods: 300 patients admitted for gynaecological laparoscopic surgery between July 2020 and July 2023 were selected and divided equally by random number table, 150 cases were counted in the observation group, and sevoflurane (low-flow) + remifentanil was chosen for maintenance anaesthesia; 150 cases were counted in the reference group, and anaesthesia was maintained only with remifentanil. The anaesthesia indexes, haemodynamics, stress reaction indexes, a

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Gelinski, Estela Kamile, Fabiane Hamerski, Marcos Lúcio Corazza, and Alexandre Ferreira Santos. "Biodiesel Synthesis Monitoring using Near Infrared Spectroscopy." Open Chemical Engineering Journal 12, no. 1 (2018): 95–110. http://dx.doi.org/10.2174/1874123101812010095.

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Objective: Biodiesel is a renewable fuel considered as the main substitute for fossil fuels. Its industrial production is mainly made by the transesterification reaction. In most processes, information on the production of biodiesel is essentially done by off-line measurements. Methods: However, for the purpose of control, where online monitoring of biodiesel conversion is required, this is not a satisfactory approach. An alternative technique to the online quantification of conversion is the near infrared (NIR) spectroscopy, which is fast and accurate. In this work, models for biodiesel react

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Stadtler, Scarlet, David Simpson, Sabine Schröder, Domenico Taraborrelli, Andreas Bott, and Martin Schultz. "Ozone impacts of gas–aerosol uptake in global chemistry transport models." Atmospheric Chemistry and Physics 18, no. 5 (2018): 3147–71. http://dx.doi.org/10.5194/acp-18-3147-2018.

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Abstract. The impact of six heterogeneous gas–aerosol uptake reactions on tropospheric ozone and nitrogen species was studied using two chemical transport models, the Meteorological Synthesizing Centre-West of the European Monitoring and Evaluation Programme (EMEP MSC-W) and the European Centre Hamburg general circulation model combined with versions of the Hamburg Aerosol Model and Model for Ozone and Related chemical Tracers (ECHAM-HAMMOZ). Species undergoing heterogeneous reactions in both models include N2O5, NO3, NO2, O3, HNO3, and HO2. Since heterogeneous reactions take place at the aero

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CONROY, DEVIN T., and STEFAN G. LLEWELLYN SMITH. "Endothermic and exothermic chemically reacting plumes." Journal of Fluid Mechanics 612 (October 10, 2008): 291–310. http://dx.doi.org/10.1017/s0022112008002917.

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We develop a model for a turbulent plume in an unbounded ambient that takes into account a general exothermic or endothermic chemical reaction. These reactions can have an important effect on the plume dynamics since the entrainment rate, which scales with the vertical velocity, will be a function of the heat release or absorption. Specifically, we examine a second-order non-reversible reaction, where one species is present in the plume from a pure source and the other is in the environment. For uniform ambient density and species fields the reaction has an important effect on the deviation fr

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Matis, Jochen René, Jan Boyke Schönborn, and Peter Saalfrank. "A multi-reference study of the byproduct formation for a ring-closed dithienylethene photoswitch." Physical Chemistry Chemical Physics 17, no. 21 (2015): 14088–95. http://dx.doi.org/10.1039/c5cp00987a.

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song, Zhuoyou. "Investigation of Electrocatalysts based on Density Functional Theory." Applied and Computational Engineering 144, no. 1 (2025): 175–83. https://doi.org/10.54254/2755-2721/2025.22590.

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This paper provides a systematic overview of catalyst research based on density functional theory (DFT), covering its theoretical foundations, applications, case studies, future perspectives, and challenges. It introduces the development of DFT, commonly used exchange-correlation functionals, and their applications in elucidating catalytic surface reaction mechanisms, identifying active sites, optimizing reaction selectivity, and designing nanocatalysts. Through specific case studies, this paper highlights the critical role of DFT in various catalytic reactions and examines the emerging integr

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Kočí, V., M. Keppert, and R. Černý. "Reaction kinetics of basaltic elements in cementitious matrices: theoretical considerations." Journal of Physics: Conference Series 2628, no. 1 (2023): 012011. http://dx.doi.org/10.1088/1742-6596/2628/1/012011.

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Abstract Basalt fibers, the frequently mentioned alternative to those made of steel, possess very good mechanical properties and temperature resistance. The alkaline environment of cement matrix makes it vulnerable due to partial fiber decomposition by the effects of OH- ions. This paper aims at computational modelling of such reactions in order to approximate the course of degradation or to predict it lately. The isothermal reaction models are discussed to reveal their strong/weak points by means of fundamental reaction mechanisms analysis. The shape factor and diffusion-based deceleration of

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Ahmed, S., F. Aboobacker, H. Ummer, and I. Sundaram. "Lichenoid Reaction to Amalgam Restoration- A Case Report." Case Reports in Odontology 01, no. 02 (2014): 01–05. https://doi.org/10.5281/zenodo.15502.

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Oral mucosa is often a lone warrior subjected to face many diverse noxious opponents in the form of either hot or cold, acidic or alkaline substances, spiced or not so spicy foods. They may be also in constant contact with tobacco, alcohol, or other substances taken through the mouth or placed in the mouth like amalgam restorations. This paper reports a case of oral lichenoid reaction to amalgam and focuses on the local toxic effects of amalgam as dental restorations with particular reference to oral lichenoid reactions (lesions). 

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Edison David Endara, Oswlado Charles Vasconez, and Santiago Daniel Rodríguez. "Pharmacovigilance profile in a reference center in Ecuador: A retrospective study." GSC Advanced Research and Reviews 12, no. 3 (2022): 064–69. http://dx.doi.org/10.30574/gscarr.2022.12.3.0234.

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Background: The development of new health technologies – drugs has allowed to change the therapeutics of some diseases, however, despite the advantages in various clinical scenarios – prevention, prophylaxis, treatment, etc., there is evidence that adverse drug reactions (ADR) are a frequent but preventable cause of disease, disability, or death. Therefore, it is estimated that in some countries ADRs represent between the fourth and sixth cause of mortality. Objectives: To determine the prevalence and profile of ADRs in a reference center in Ecuador. Design and setting: This historical cohort

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Jianghong, Man, Qi Jianbin, Jiang Jie, and Li Sha. "Microwave Reaction Improved Heterocyclization of Quinazolinone Ring in Synthesis of Erlotinib Analogues." Journal of Pharmaceutical and Biomedical Sciences 10, no. 05 (2020): 99–105. https://doi.org/10.1234/zenodo.3876.

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Background Tinibs were a kind of important epidermal growth factor receptor (EGFR) inhibitors used as potential therapeutic agents in treating non-small cell lung cancer (NSCLC) in clinic. The drug resistance of clinical used tinibs made the development of more active tinib analogues an attractive field in research. Quinazoline ring was regarded as the key fragment in tinibs and quinazolinone was indispensible intermediate in the synthesis of quinazoline. Thus, synthesis of quinazolinone intermediates was a key step which would further limit the overall yield of final product of tinib analogue

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Chasapoglou, Sotirios, Michael Axiotis, George Gkatis, et al. "Cross Section Measurements of (n,x) Reactions at 17.9 MeV Using Highly Enriched Ge Isotopes." HNPS Advances in Nuclear Physics 28 (October 17, 2022): 135–41. http://dx.doi.org/10.12681/hnps.3621.

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Τhe 70Ge(n,2n)69Ge, 72Ge(n,a)69mZn, 72Ge(n,p)72Ga and 73Ge(n,p)73Ga reactions have been measured by means of the activation technique at neutron energy 17.9 MeV. The quasimonoenergetic neutron beam was produced via the 2H(d,n)3He reaction at the 5.5 MV Tandem Van de Graaff accelerator of NCSR “Demokritos.” Isotopically highly enriched targets of 70Ge, 72Ge and 73Ge, provided by the nTOF collaboration at CERN, have been used, thus allowing accurate cross section measurements since no corrections are needed to compensate for the parasitic reactions from neighboring isotopes that exist in the cas

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Fan, Yunchu, Yaozong Duan, Dong Han, Xinqi Qiao, and Zhen Huang. "Influences of isomeric butanol addition on anti-knock tendency of primary reference fuel and toluene primary reference fuel gasoline surrogates." International Journal of Engine Research 22, no. 1 (2019): 39–49. http://dx.doi.org/10.1177/1468087419850704.

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The anti-knock tendency of blends of butanol isomers and two gasoline surrogates (primary reference fuels and toluene primary reference fuels) was studied on a single-cylinder cooperative fuel research engine. The effects of butanol molecular structure (n-butanol, i-butanol, s-butanol and t-butanol) and butanol addition percentage on fuel research octane numbers were investigated. The experimental results revealed that butanol addition to either PRF80 or TPRF80 increased research octane numbers, and the research octane numbers of fuel blends showed higher linearity with the molar percentage th

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Le, Tran Van-Hoai, Tuyen Ngoc Truong, Thuong Thi-Thuong Le, and Dung Thanh Phan. "Optimization of the synthesis reaction and establishing the reference standard of Fenofibrate impurity C (USP)." MedPharmRes 9, no. 1 (2025): 49–61. https://doi.org/10.32895/ump.mpr.9.1.5.

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1-methylethyl 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl propanoyl]oxy]-2-methylpropanoate (or fenofibrate impurity C, United States Pharmacopoeia [USP]) is an impurity in fenofibrate raw material. To date, publications on synthesis of fenofibrate impurity C (ImpC) have reported low yield and purity, so far. The purpose of this study is to optimize the conditions for synthesis of ImpC using Central Composite Design (CCD) approach and standardization of ImpC as reference substance. ImpC was synthesized from the reaction between fenofibric acid and isopropyl 2-bromo-2-methylpropanoate in dimeth

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Hiraoka, Nobuaki, and Toshiro Noritsugu. "Reaction Force Control of a Parallel Biwheel Vehicle Driven with a Stepping Motor." Journal of Robotics and Mechatronics 11, no. 5 (1999): 356–61. http://dx.doi.org/10.20965/jrm.1999.p0356.

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Reaction force control of a parallel biwheel vehicle (PBV) driven with two stepping motors in open loop mode is used for holding and transporting objects. The inverted pendulum type unstable PBV's attitude is regulated by a discrete time sliding mode controller. Reaction force is generated by contacting and leaning the PBV body toward objects and reaction force magnitude is controlled by a fuzzy logic controller whose nonlinear control achieves a quick, calm response. For a square wave force reference up to 1 N, the PBV quickly follows a reference signal without overshoot and maintains a stead

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Kurisu, Minoru, Reinhard Kissner, Masayuki Imai, and Peter Walde. "Application of an enzymatic cascade reaction for the synthesis of the emeraldine salt form of polyaniline." Chemical Papers 75, no. 10 (2021): 5071–85. http://dx.doi.org/10.1007/s11696-021-01620-z.

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AbstractThe synthesis of the emeraldine salt form of polyaniline (PANI-ES) from aniline with Aspergillus sp. glucose oxidase (GOD), d-glucose, dissolved O2, and horseradish peroxidase isoenzyme C (HRPC) in the presence of large unilamellar vesicles of AOT (sodium bis-(2-ethylhexyl)sulfosuccinate) as templates at pH = 4.3 and T ~ 25 °C was investigated in a systematic way. In this cascade reaction mixture, the oxidation of aniline is catalyzed by HRPC with H2O2 that is formed in situ as byproduct of the GOD-catalyzed oxidation of d-glucose with O2. Under the elaborated experimental conditions w

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IVANOVA, YU M. "METALINGUISTIC TECHNIQUES OF PLAYFUL DIALOGICAL REACTION (SURVEY RESULTS)." Bulletin of Chelyabinsk State University 499, no. 5 (2025): 50–57. https://doi.org/10.47475/1994-2796-2025-499-5-50-57.

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The article investigates the meta-linguistic aspects of formal verbal play based on the material of a survey of 104 respondents who were given the task of responding to seven dialogical stimuli, six of which were precedent statements taken from a variety of sources, and the seventh was a control stimulus, specially devised to be devoid of any signs of precedence. Playful responses are analyzed from a structural point of view. Various principles of building (multiple) structural links between utterances in a dialogue are examined. The material of the present survey demonstrates the principle of

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Kreuzer, Karl-Anton, Alexander Bohn, Joachim Lupberger, Jerome Solassol, Philipp le Coutre, and Christian Andreas Schmidt. "Simultaneous Absolute Quantification of Target and Control Templates by Real-Time Fluorescence Reverse Transcription-PCR Using 4-(4′-Dimethylaminophenylazo)benzoic Acid as a Dark Quencher Dye." Clinical Chemistry 47, no. 3 (2001): 486–90. http://dx.doi.org/10.1093/clinchem/47.3.486.

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Abstract Background: Despite the many advantages of real-time fluorescence reverse transcription-PCR (RT-PCR) as a quantitative analytical tool, simultaneous quantification of target and reference templates within one reaction has not been reported. We developed such an assay with an internal reference template. Methods: For quantification of target and reference sequences, we used two fluorescent probes in one reaction vessel on an ABI PRISM 7700 SDS instrument. Fluorescent probes were labeled with either 6-carboxy-fluorescein or hexachloro-6-carboxy-fluorescein as reporter dye and 4-(4′-dime

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Tsivouraki, Eleni, Sotirios Chasapoglou, Michalis Serris, et al. "Study of the 176Hf(n,2n)175Hf cross section at 18.9 MeV." HNPS Advances in Nuclear Physics 28 (October 17, 2022): 238–41. http://dx.doi.org/10.12681/hnps.3710.

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Neutron nuclear reactions can provide significant information in the field of nuclear physics and applications. Hafnium (Hf) is one of the rare-earth isotopes with a relative large neutron total cross-section in the thermal neutron energy region and neutron induced reactions in reactor materials could lead to the production of long-lived isomeric states of Hf isotopes. Thus, the knowledge of neutron cross-sections on Hf isotopes is of great importance for basic research in Nuclear Physics as well as for applications concerning the interaction of neutrons with matter. In this study measurements

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Edison, David Endara, Charles Vasconez Oswlado, and Daniel Rodríguez Santiago. "Pharmacovigilance profile in a reference center in Ecuador: A retrospective study." GSC Advanced Research and Reviews 12, no. 3 (2022): 064–69. https://doi.org/10.5281/zenodo.7172406.

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<strong>Background</strong>: The development of new health technologies – drugs has allowed to change the therapeutics of some diseases, however, despite the advantages in various clinical scenarios – prevention, prophylaxis, treatment, etc., there is evidence that adverse drug reactions (ADR) are a frequent but preventable cause of disease, disability, or death. Therefore, it is estimated that in some countries ADRs represent between the fourth and sixth cause of mortality. <strong>Objectives</strong>: To determine the prevalence and profile of ADRs in a reference center in Ecuado

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Zalewski, Kamil, Marcin Misiek, Artur Kowalik, et al. "Normalizers for microRNA quantification in plasma of patients with vulvar intraepithelial neoplasia lesions and vulvar carcinoma." Tumor Biology 39, no. 11 (2017): 101042831771714. http://dx.doi.org/10.1177/1010428317717140.

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The role of circulating microRNAs as a promising tool for diagnosing cancer and monitoring anticancer therapies has been widely studied in the past decades. To date, no suitable reference microRNAs for normalizing quantitative real-time polymerase chain reaction assays has been identified in vulvar intraepithelial neoplasia lesions and vulvar squamous cell carcinoma. The purpose of this study was to select appropriate references for gene expression studies in plasma of patients with these lesions. Expression levels of six microRNAs—hsa-miR-425-5p, hsa-miR-191-5p, hsa-miR-93-5p, hsa-miR-423-5p,

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