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Journal articles on the topic 'Chemical Transformation'

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Author: Grafiati

Published: 6 September 2023

Last updated: 18 May 2024

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1

Cuadros, J. "Clay crystal-chemical adaptability and transformation mechanisms." Clay Minerals 47, no. 2 (June 2012): 147–64. http://dx.doi.org/10.1180/claymin.2012.047.2.01.

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AbstractChemical and mineralogical transformations of phyllosilicates are among the most important in diagenetic environments in all types of rocks because they can exert a large control on the processes taking place in such environments and/or provide constraints for the conditions in which phyllosilicate transformation occurred. Dissolution-precipitation and solid-state transformation are usually the two mechanisms proposed for such reactions depending on the crystal-chemical and morphological similarities between parent and neoformed phases together with knowledge of the environmental conditions. These two mechanisms, however, may be at both ends of the spectrum of those operating and many transformations may take place through a mixture of the two mechanisms, generating observable elements that are characteristic of one or the other. In the present literature, the boundaries between the two mechanisms are not clear, mainly because dissolution-precipitation is sometimes defined at nearly atomic scale. It is proposed here that such small-scale processes are considered as a solid-state transformation, and that dissolution-precipitation requires dissolution of entire mineral particles and their dissolved species to pass into the bulk of the solution. Understanding the reaction mechanisms of diagenetic transformations is an important issue because they impinge on geochemical conditions and variables such as cation mobility, rock volume, fabric changes, rock permeability, stable isotope signature and phyllosilicate crystal-chemistry.I propose that, in the lower range temperatures at which clay mineral transformations take place, energy considerations favour solid-state transformation, or reactions that involve the breaking of a limited number of bonds, over dissolution of entire grains and precipitation of crystals of the new phase. Large morphological changes are frequently invoked as evidence for a dissolution-precipitation mechanism but changes in particle shape and size may be achieved by particle rupture, particle welding or by hybrid processes in which dissolution-precipitation plays a minor role.Past and recent studies of phyllosilicate transformations show chemical and structural intermediates indicating a large crystal-chemical versatility, greater than is commonly recognized. These intermediates include tetrahedral sheets of different composition within TOT units (termed polar layers), dioctahedral and trioctahedral domains in the same layer, and 2:1 and 1:1 domains also within the same layers. The existence of such intermediate structures suggests that the reaction mechanisms that generated them are within the realm of the solid-state transformation processes.

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2

Sugawara, Tadashi. "ChemInform Abstract: Chemical Transformation." ChemInform 30, no. 7 (June 17, 2010): no. http://dx.doi.org/10.1002/chin.199907318.

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3

Şahruddin oğlu Hüseynov, İsa, and Elnur İsrail oğlu Quliyev. "The role of chemical motion form in chemical transformation." ANCIENT LAND 14, no. 8 (August 26, 2022): 24–31. http://dx.doi.org/10.36719/2706-6185/14/24-31.

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Məqalədə müasir dövrdə təhsilalanların kimya üzrə elmi-fəlsəfi dünyagörüşlərinin formalaşması üçün ətraf aləmdə baş verən fiziki və kimyəvi hadisələrin mahiyyətinə elmi-fəlsəfi istiqamətdən yanaşmalarının və kimyəvi proseslərin baş vermə səbəblərinin obyektiv reallıqlara söykənən dialektika qanunları əsasında həyata keçdiyini anlatmağın vacibliyindən danışılır. Kimyəvi hərəkətin baş verən kimyəvi çevrilmələrdə rolu, onun materiayanın digər hərəkət fomalarından fərqli cəhətləri, kimyəvi çevrilmələrdə kimyəvi rabitələrin əhəmiyyəti barədə məlumatların fəlsəfi mahiyyətinə geniş nəzər salınmışdır. Açar sözlər: kimyəvi hərəkət, kimyəvi çevrilmə, kimyəvi rabitə, kimyanın elmi fəlsəfəsi, materiyanın işıq və istilik hərəkəti, subatom dövrü, bioloji hərəkət forması, dialektika. Isa Shahruddin Hüseynov Elnur Israil Guliyev The role of chemical motion form in chemical transformation Abstract The article talks about the importance of the scientific-philosophical approach to the essence of the physical and chemical phenomena occuring in the surrounding world in ordet to form the scientific- philosphical worldviews of the students in the modern era and to explain that chemical processes are carried out on the basis of the dialectical laws based on the objective realities of occurence. The role of chemical movement in chemical transformations, its differences from other forms of movement of matter, the importance of chemical bonds in chemical transformations, and the philosophical nature of the information have been extensively reviewed. Keywords: Chemical processes, chemical conversion, chemical communication, scientific philosophy of chemistry, hght and heatmovement of matter, subatomic period, a form of biological action, dialectics

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4

Rosselló, Francesc, and Gabriel Valiente. "Chemical Graphs, Chemical Reaction Graphs, and Chemical Graph Transformation." Electronic Notes in Theoretical Computer Science 127, no. 1 (March 2005): 157–66. http://dx.doi.org/10.1016/j.entcs.2004.12.033.

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5

Huang, Sui Liang. "Two-dimensional numerical modeling of chemical transport–transformation in fluvial rivers: formulation of equations and physical interpretation." Journal of Hydroinformatics 11, no. 2 (March 1, 2009): 106–18. http://dx.doi.org/10.2166/hydro.2009.025.

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Based on previous work on the transport–transformation model of heavy metal pollutants in fluvial rivers, this paper presents the formulation of a two-dimensional model to describe chemical transport–transformation in fluvial rivers by considering basic principles of environmental chemistry, hydraulics and mechanics of sediment transport and recent developments along with three very simplified test cases. The model consists of water flow governing equations, sediment transport governing equations, transport–transformation equation of chemicals and convection–diffusion equations of sorption–desorption kinetics of particulate chemical concentrations on suspended load, bed load and bed sediment. The chemical transport–transformation equation is basically a mass balance equation. It demonstrates how sediment transport affects transport–transformation of chemicals in fluvial rivers. The convection–diffusion equations of sorption–desorption kinetics of chemicals, being an extension of batch reactor experimental results, take both physical transport, i.e. convection and diffusion, and chemical reactions, i.e. sorption–desorption into account. The effects of sediment transport on chemical transport–transformation were clarified through three simple examples. Specifically, the transport–transformation of chemicals in a steady, uniform and equilibrium sediment-laden flow was calculated by applying this model, and results were shown to be rational. Both theoretical analysis and numerical simulation indicated that the transport–transformation of chemicals in sediment-laden flows with a clay-enriched riverbed possesses not only the generality of common tracer pollutants, but also characteristics of transport–transformation induced by sediment motion. Future work will be conducted to present the validation/application of the model with available data.

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6

Corma, Avelino, Sara Iborra, and Alexandra Velty. "Chemical Routes for the Transformation of Biomass into Chemicals." Chemical Reviews 107, no. 6 (June 2007): 2411–502. http://dx.doi.org/10.1021/cr050989d.

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7

Omri, Mehdi, Frédéric Sauvage, Séma Golonu, Anne Wadouachi, and Gwladys Pourceau. "Photocatalyzed Transformation of Free Carbohydrates." Catalysts 8, no. 12 (December 19, 2018): 672. http://dx.doi.org/10.3390/catal8120672.

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In the growing context of sustainable chemistry, one of the challenges of organic chemists is to develop efficient and environmentally friendly methods for the synthesis of high-added-value products. Heterogeneous photocatalytic transformations have brought revolution in this regard, as they take advantage of an unlimited source of energy (solar light) or artificial UV light to onset organic chemical modifications. The abundance of free carbohydrates as chemical platform feedstock offers a great opportunity to obtain a variety of industrial interest compounds from biomass. Due to their chirality and polyfunctionality, the conversion of sugars generally requires multi-step protocols with protection/deprotection steps and hazardous chemical needs. In this context, several selective and eco-friendly methodologies are currently under development. This review presents a state of art of the recent accomplishments concerning the use of photocatalysts for the transformation and valorization of free carbohydrates. It discusses the approaches leading to the selective oxidation of free sugars, their degradation into organic chemicals, or their use for hydrogen production.

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8

Bhatti, Haq N., Muhammad Zubair, Nasir Rasool, Zahid Hassan, and Viqar U. Ahmad. "Microbial Transformation of Sesquiterpenoids." Natural Product Communications 4, no. 8 (August 2009): 1934578X0900400. http://dx.doi.org/10.1177/1934578x0900400828.

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Biotransformations are useful methods for producing medicinal and agricultural chemicals from both active and inactive natural products with the introduction of chemical functions into remote sites of the molecules. Research on microbial biotransformations of commonly available sesquiterpenoids into more valuable derivatives has always been of interest because of their economical potential to the perfume, food, chemical and pharmaceutical industries. Fungal transformations of sesquiterpenoids have been less frequently studied compared with many other natural products. In recent years, however, much attention has been given to the exploitation of new products with enhanced biological activity using microorganisms. This review, covering the period from 1990 to 2006, summarizes our knowledge of the biotransformations of sesquiterpenoids by various fungi. Such transformations could lead to the discovery of new reaction pathways that might be useful in the design of new value-added products.

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9

J, Ganbaatar, and Batsuren D. "Chemical transformation of diterpenoid alkaloids." Bulletin of Institute of Chemistry and Chemical Technology, Mongolian Academy of Sciences, no. 6 (December 21, 2018): 35–41. http://dx.doi.org/10.5564/bicct.v0i6.1098.

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The diterpenoid alkaloids, with an intriguing chemistry and numerous varied bioactivities, constitute the largest and most complicated group of terpenoid alkaloids. The diterpenoid alkaloids, isolated mainly from Aconitum and Delphinium species (Ranunculaceae), have been of great interest since the early 1800 because of their pharmacological properties. Extracts of Aconitum species were used in ancient times for treatment of gout, hypertension, neuralgia, rheumatism, and even toothache. Extracts have also been used as arrow poisons. Some Delphinium species are extremely toxic and constitute a serious threat to livestock. Delphinium extracts also manifest insecticidal properties. In the past 30 to 40 years, interest in the diterpenoid alkaloids has increased because of the complex structures and interesting chemistry involved. In this review, we summarize recent progress on the chemical transformations of diterpenoid alkaloids. Дитерпений алкалоидын химийн хувиралт Хураангуй: Дитерпений алкалоидууд нь олон төрлийн биологийн идэвхийг үзүүлдэг тул химичдийн анхаарлыг ихэд татдаг. Тэдгээр нь терпеноид алкалоидын үлэмж нарийн бүтэцтэй томоохон бүлэг нэгдлүүд юм. Өвөрмөц фармакологийн шинж чанартай Холтсон цэцэгтний (Ranunculaceae) овгийн Гэзэг цэцэг (Aconitum) ба Хорсны (Delphinium) зүйлүүдийг судлах сонирхол бүр 1800 оноос эхлэлтэй гэж үздэг. Хорсны зүйлүүдийн хандыг эрт дээр үеэс хэрлэг тулуй, цусны даралт ихсэх, мэдрэлийн гаралтай өвчин, ревматизм, шүдний өвчнийг анагаахад хэрэглэж байв. Мөн нум сумны зэвний хор болгон ашиглаж байсан байна. Гэзэг цэцэгний зарим зүйл маш хортой тул гэрийн тэжээвэр амьтныг хордуулдаг байна. Гэзэг цэцэгний хандыг хортон шавжийг усгах зорилгоор ашигладаг. Сүүлийн 30-40 жилд химийн нарийн бүтэцтэй, фармакологийн өндөр идэвхтэй дитерпений алкалоидыг судлах сонирхол улам бүр ихсэж байна. Энэхүү тойм өгүүлэлд бид дитерпений алкалоидуудын химийн хувиралтын талаарх материалыг нэгтгэн дүгнэх оролдлого хийсэн болно. Түлхүүр үгс: дитерпений алкалоид, химийн хувиралт, Холтсон цэцэг, Гэзэг цэцэг, Хорс, Өндөр гэзэг цэцэг

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10

Asai, Makoto, Takuya Katashima, Takamasa Sakai, and Mitsuhiro Shibayama. "Supercoiling transformation of chemical gels." Soft Matter 11, no. 36 (2015): 7101–8. http://dx.doi.org/10.1039/c5sm01550b.

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The swelling/deswelling behavior of chemical gels has been an unsolved problem disputed over for a long time. We directly observed the confirmation changes of network strands of chemical gels and examined the Obukhov–Rubinstein–Colby model. Furthermore, we succeeded in observing “supercoiling” and clarified the physical picture for the first time.

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11

Gorbulenko, Natalia, Tatyana Shokol, and Vladimir Khilya. "Chemical modifications and transformations of 3-azahetarylchroman-4-ones." French-Ukrainian Journal of Chemistry 4, no. 2 (2016): 1–27. http://dx.doi.org/10.17721/fujcv4i2p1-27.

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Articles reporting on the chemical modifications and transformations of 3-azahetarylchroman-4-ones are rewieved. The following 3-azahetarylchroman-4-ones’ transformation - reduction of 3-azahetarylchromon-4-ones to the corresponding 3-azahetarylchromanols, -chromenes, and -3,4-dihydrochromenes, alkylation of 3-azahetarylchromanols, reconversion into 3-azahetarylchromones, formation of 3-hetarylchroman-4-one oximes and corresponding oxime ethers, recyclization into 3-aryl-4-hetarylpyrazolines are described. The biological activity of 3-azahetarylchroman-4-one modification or transformation products are also adduced.

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12

Savitskyi, Oleksandr, Mychailo Savitskyi, and Darko Bajić. "Influence of chemical composition on structural transformations in carbon steels and their welded joints." Zavarivanje i zavarene konstrukcije 67, no. 4 (2022): 147–55. http://dx.doi.org/10.5937/zzk2204147s.

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In this paper, based on the analysis of the dependence of temperature critical points of structural transformations on the chemical composition of steel, it is shown that carbon can be considered a determining factor influencing the kinetics of structure formation in carbon steels and their welded joints. With the carbon content increases, the period of inertia of diffusion (perlite) and intermediate (beinite) transformation of subcooled austenite increases, while the course of transformation accelerates. This creates preconditions for solving the task of development of diffusion and intermediate transformation of subcooled austenite in metal of welded joints prone to hardenability and prevents martensitic (nondiffusion) transformations. However, for the purposeful beginning of the indicated forms of transformations, an efficient method or a way of shortening the period of inertness of its decomposition within the predicted limits is necessary. Carbide-forming alloying elements increase the positive effect of carbon on g→a transformation in the diffusion region and weak in the intermediate region. All other alloying elements under conditions of continuous cooling slow down the decomposition of subcooled austenite in the diffusion and intermediate region and increase the period of inertia, necessary for its onset.

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13

Liu, Yong Chang, F. Sommer, and Eric J. Mittemeijer. "Kinetics of the Austenite-Ferrite Transformation with and without Applied Stress." Solid State Phenomena 172-174 (June 2011): 1207–13. http://dx.doi.org/10.4028/www.scientific.net/ssp.172-174.1207.

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The formation of ferrite (α) from austenite (γ) and vice versa, upon thermo-mechanical processing of steels, are phase transformations of great technological importance. Often these transformations occur in the presence of externally or internally imposed stress. This paper provides an overview of recent research on the quantitative analysis of the transformation kinetics of the γ®a and a®g transformations subjected to uniaxial compressive stress below the yield stress of g and a, based on the application of the high-resolution differential dilatometry and the modular model of transformation kinetics. The application of uniaxially compressive stresses leads to antagonistic effects on the transformation kinetics: the stress applied upon the γ®a transformation prompts the transformation, while it obstructs the a®g transformation. These results can be quantitatively discussed in terms of chemical driving forces and transformation-induced deformation energies.

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14

Hasse, H. "Digital Transformation of Chemical Engineering Science." Chemie Ingenieur Technik 94, no. 9 (August 25, 2022): 1211. http://dx.doi.org/10.1002/cite.202255337.

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15

Badran, Al-Shimaa, Aya Ahmed, and Magdy A. Ibrahim. "Chemical Transformation of Chromones into Coumarins." HETEROCYCLES 102, no. 12 (2021): 2277. http://dx.doi.org/10.3987/rev-21-962.

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16

SMIGASIEWICZ, STEFAN. "The dielectric relaxation with chemical transformation." Polimery 34, no. 03 (March 1989): 122–24. http://dx.doi.org/10.14314/polimery.1989.122.

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17

Dureja, P., and S. Walia. "Chemical and photochemical transformation of chlorothalonil." Toxicological & Environmental Chemistry 37, no. 3-4 (February 1993): 215–20. http://dx.doi.org/10.1080/02772249309357873.

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18

Gorbunova, Tat'yana I., Viktor I. Saloutin, and Oleg N. Chupakhin. "Chemical methods of transformation of polychlorobiphenyls." Russian Chemical Reviews 79, no. 6 (August 12, 2010): 511–30. http://dx.doi.org/10.1070/rc2010v079n06abeh004047.

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19

Das, Gaurav, Varsha Gupta, and Surajit Ghosh. "Glial-Neuron Transformation by “Chemical Cocktail”." ACS Chemical Neuroscience 10, no. 1 (December 20, 2018): 42–43. http://dx.doi.org/10.1021/acschemneuro.8b00684.

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20

Gribov, L. A., V. A. Dementiev, and I. V. Mikhailov. "Adjacency matrices and chemical transformation graphs." Journal of Structural Chemistry 49, no. 2 (March 2008): 197–200. http://dx.doi.org/10.1007/s10947-008-0114-4.

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21

Kovganko, N. V. "Chemical transformation of ecdysteroids: Latest advances." Chemistry of Natural Compounds 34, no. 2 (March 1998): 111–27. http://dx.doi.org/10.1007/bf02249125.

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22

Shao, Yuyan, Xinliang Feng, Liming Dai, and Jean‐Pol Dodelet. "Advancing Materials Electrochemistry for Chemical Transformation." Advanced Materials 31, no. 31 (August 2019): 1903622. http://dx.doi.org/10.1002/adma.201903622.

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23

Liao, Ming-Hui, and Chi-Tai Wang. "Using Enterprise Architecture to Integrate Lean Manufacturing, Digitalization, and Sustainability: A Lean Enterprise Case Study in the Chemical Industry." Sustainability 13, no. 9 (April 26, 2021): 4851. http://dx.doi.org/10.3390/su13094851.

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The chemical industry has sustained the development of global economies by providing an astonishing variety of products and services, while also consuming massive amounts of raw materials and energy. Chemical firms are currently under tremendous pressure to become lean enterprises capable of executing not only traditional lean manufacturing practices but also emerging competing strategies of digitalization and sustainability. All of these are core competencies required for chemical firms to compete and thrive in future markets. Unfortunately, reports of successful transformation are so rare among chemical firms that acquiring the details of these cases would seem an almost impossible mission. The severe lack of knowledge about these business transformations thus provided a strong motivation for this research. Using The Open Group Architecture Framework, we performed an in-depth study on a real business transformation occurring at a major international chemical corporation, extracting the architecture framework possibly adopted by this firm to become a lean enterprise. This comprehensive case study resulted in two major contributions to the field of sustainable business transformation: (1) a custom lean enterprise architecture framework applicable to common chemical firms making a similar transformation, and (2) a lean enterprise model developed to assist chemical firms in comprehending the intricate and complicated dynamics between lean manufacturing, digitalization, and sustainability.

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24

He, Liang-Nian, Jin-Quan Wang, and Jing-Lun Wang. "Carbon dioxide chemistry: Examples and challenges in chemical utilization of carbon dioxide." Pure and Applied Chemistry 81, no. 11 (October 31, 2009): 2069–80. http://dx.doi.org/10.1351/pac-con-08-10-22.

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The development of catalytic methods for chemical transformation of CO2 into useful compounds is of paramount importance from a standpoint of C1 chemistry and so-called green chemistry. The kinetic and thermodynamic stability of CO2 molecule presents significant challenges in designing efficient chemical transformations based on this potential feedstock. In this context, efforts to convert CO2 to useful chemicals will inevitably rely on its activation through molecular catalysts, particularly transition-metal catalysts. Two preparative processes employing solid catalyst or CO2-philic homogeneous catalyst were devised for environmentally benign synthesis of organic carbonates and oxazolidinones under solvent-free conditions. Those processes represent pathways for greener chemical fixations of CO2 to afford industrial useful materials such as organic carbonates and oxazolidinones with great potential applications.

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25

Kavokin, A. A., I. H. Kazmi, and B. Munir. "Computational Model of Phase Transformations in Thermo-Chemical Cathodes Using Kinetic Approach." Key Engineering Materials 510-511 (May 2012): 9–14. http://dx.doi.org/10.4028/www.scientific.net/kem.510-511.9.

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The paper presents the results of modeling of the processes of phases transformations occurring in cathode of plasmatron with zirconium insertion. Model describes temperature and liquid-solid phase transformation in cathode considering kinetics of transformation in accordance with a state diagram. The comparison between one-dimensional mathematical models was exploited for estimation of the kinetics coefficient. First model is based on well-known heat equation with Stefans condition on the free boundary between liquid and solid phases [. The standard analytical self-similar solution for two-phase case is applied. In the second model, for heat equation instead of Stefans conditions, differential equations of kinetics are used.

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26

Binder, Joseph B., and Ronald T. Raines. "Simple Chemical Transformation of Lignocellulosic Biomass into Furans for Fuels and Chemicals." Journal of the American Chemical Society 131, no. 5 (February 11, 2009): 1979–85. http://dx.doi.org/10.1021/ja808537j.

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27

B0RMAN, STU. "ENAMIDE TRANSFORMATION." Chemical & Engineering News Archive 80, no. 9 (March 4, 2002): 14. http://dx.doi.org/10.1021/cen-v080n009.p014.

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28

AINSWORTH, SUSAN J. "TIMELY TRANSFORMATION." Chemical & Engineering News 87, no. 49 (December 7, 2009): 13–21. http://dx.doi.org/10.1021/cen-v087n049.p013.

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29

Németh, Tibor, Joshua D. Nosanchuk, Csaba Vagvolgyi, and Attila Gacser. "Enhancing the chemical transformation of Candida parapsilosis." Virulence 12, no. 1 (January 1, 2021): 937–50. http://dx.doi.org/10.1080/21505594.2021.1893008.

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30

Blanchard, Stéphanie, Ivan Rodriguez, Catherine Kuehm-Caubère, Pierre Renard, Bruno Pfeiffer, Gérald Guillaumet, and Paul Caubère. "Hetarynic synthesis and chemical transformation of dihydrodipyridopyrazines." Tetrahedron 58, no. 18 (April 2002): 3513–24. http://dx.doi.org/10.1016/s0040-4020(02)00310-1.

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31

Zhang, Tao. "Chemical transformation of sugars into amino acids." Chinese Journal of Catalysis 39, no. 6 (June 2018): 1013–16. http://dx.doi.org/10.1016/s1872-2067(18)63093-1.

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32

Janda, K., C. Shevlin, and R. Lerner. "Antibody catalysis of a disfavored chemical transformation." Science 259, no. 5094 (January 22, 1993): 490–93. http://dx.doi.org/10.1126/science.8424171.

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Volkov, S. V., Yu V. Mironov, S. S. Yarovoi, A. I. Smolentsev, O. G. Yanko, L. B. Khar’kova, and Z. A. Fokina. "Chemical transformation of cluster osmium thioselenochloride Os3S7SeCl8." Russian Journal of Inorganic Chemistry 56, no. 4 (April 2011): 545–48. http://dx.doi.org/10.1134/s0036023611040279.

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34

Vessally, Esmail, Mirzaagha Babazadeh, Akram Hosseinian, Sattar Arshadi, and Ladan Edjlali. "Nanocatalysts for chemical transformation of carbon dioxide." Journal of CO2 Utilization 21 (October 2017): 491–502. http://dx.doi.org/10.1016/j.jcou.2017.08.014.

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35

Mills, William B., and Sally Liu. "Modeling Chemical Transformation Products Using Asymptotic Solutions." Ground Water 32, no. 4 (July 1994): 635–44. http://dx.doi.org/10.1111/j.1745-6584.1994.tb00899.x.

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36

Ro, K. S., K. H. Chung, and J. W. Robinson. "Chemical transformation of atrazine with sodium azide." Journal of Environmental Science and Health . Part A: Environmental Science and Engineering and Toxicology 30, no. 2 (February 1995): 321–32. http://dx.doi.org/10.1080/10934529509376203.

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Abdelaal, Magdy Y., Tariq R. Sobahi, and Mohamad Saleh I. Makki. "Chemical transformation of pet waste through glycolysis." Construction and Building Materials 25, no. 8 (August 2011): 3267–71. http://dx.doi.org/10.1016/j.conbuildmat.2011.03.013.

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38

Srivastava, Vishal, Surabhi Sinha, Deepak Kumar, and Praveen P. Singh. "Neoteric chemical transformation involving gold based photocatalysis." Tetrahedron Green Chem 1 (2023): 100009. http://dx.doi.org/10.1016/j.tgchem.2023.100009.

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39

Mukundan, Swathi, Luqman Atanda, and Jorge Beltramini. "Thermocatalytic cleavage of C–C and C–O bonds in model compounds and kraft lignin by NiMoS2/C nanocatalysts." Sustainable Energy & Fuels 3, no. 5 (2019): 1317–28. http://dx.doi.org/10.1039/c8se00576a.

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Andersen, Jakob L., Rolf Fagerberg, Christoph Flamm, Walter Fontana, Juraj Kolčák, Christophe V. F. P. Laurent, Daniel Merkle, and Nikolai Nøjgaard. "Graph transformation for enzymatic mechanisms." Bioinformatics 37, Supplement_1 (July 1, 2021): i392—i400. http://dx.doi.org/10.1093/bioinformatics/btab296.

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Abstract Motivation The design of enzymes is as challenging as it is consequential for making chemical synthesis in medical and industrial applications more efficient, cost-effective and environmentally friendly. While several aspects of this complex problem are computationally assisted, the drafting of catalytic mechanisms, i.e. the specification of the chemical steps—and hence intermediate states—that the enzyme is meant to implement, is largely left to human expertise. The ability to capture specific chemistries of multistep catalysis in a fashion that enables its computational construction and design is therefore highly desirable and would equally impact the elucidation of existing enzymatic reactions whose mechanisms are unknown. Results We use the mathematical framework of graph transformation to express the distinction between rules and reactions in chemistry. We derive about 1000 rules for amino acid side chain chemistry from the M-CSA database, a curated repository of enzymatic mechanisms. Using graph transformation, we are able to propose hundreds of hypothetical catalytic mechanisms for a large number of unrelated reactions in the Rhea database. We analyze these mechanisms to find that they combine in chemically sound fashion individual steps from a variety of known multistep mechanisms, showing that plausible novel mechanisms for catalysis can be constructed computationally. Availability and implementation The source code of the initial prototype of our approach is available at https://github.com/Nojgaard/mechsearch Supplementary information Supplementary data are available at Bioinformatics online.

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Nowak, Grażyna, and Grzegorz Fic. "Search for Complexity Generating Chemical Transformations by Combining Connectivity Analysis and Cascade Transformation Patterns." Journal of Chemical Information and Modeling 50, no. 8 (August 3, 2010): 1369–77. http://dx.doi.org/10.1021/ci100146n.

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Trzaska, J. "Empirical formulas for calculating Continuous Cooling Transformation diagrams." Journal of Achievements in Materials and Manufacturing Engineering 1, no. 97 (November 3, 2019): 21–30. http://dx.doi.org/10.5604/01.3001.0013.7946.

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Purpose: The paper presents empirical formulas for the calculation of Continuous Cooling Transformation (CCT) diagram basing on the chemical composition and austenitizing temperature. Design/methodology/approach: In the method of calculating CCT diagrams proposed in the paper, two types of tasks are solved. First task is classification and consists in determining the range of cooling rate for particular phase transformations. The second task is regression, which aims at calculating the transformations temperature, hardness and volume fraction of phases in steel. The model of CCT diagrams was developed using multiple regression and logistic regression methods. Research limitations/implications: CCT diagrams can be calculated according to the presented method, if the chemical composition of steel meets the criteria defined by the application range of the model. Practical implications: The formulas presented in the article can be used to determine the conditions for heat treatment of structural steels. Originality/value: The paper presents the method for calculating CCT diagrams of the structural steels and engineering steels, depending on their chemical composition as well as austenitizing temperature.

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Arif, Tansel T., and Rong Shan Qin. "A Phase-Field Model for the Formation of Martensite and Bainite." Advanced Materials Research 922 (May 2014): 31–36. http://dx.doi.org/10.4028/www.scientific.net/amr.922.31.

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The phase field method is rapidly becoming the method of choice for simulating the evolution of solid state phase transformations in materials science. Within this area there are transformations primarily concerned with diffusion and those that have a displacive nature. There has been extensive work focussed upon applying the phase field method to diffusive transformations leaving much desired for models that can incorporate displacive transformations. Using the current model, the formation of martensite, which is formed via a displacive transformation, is simulated. The existence of a transformation matrix in the free energy expression along with cubic symmetry operations enables the reproduction of the 24 grain variants of martensite. Furthermore, upon consideration of the chemical free energy term, the model is able to utilise both the displacive and diffusive aspects of bainite formation, reproducing the autocatalytic nucleation process for multiple sheaves using a single phase field variable. Transformation matrices are available for many steels, one of which is used within the model.

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Xian, Mo, Yujin Cao, and Huizhou Liu. "Combination of chemical and biological transformation for the sustainable manufacturing of bulk chemicals." SCIENTIA SINICA Chimica 45, no. 5 (May 1, 2015): 501–9. http://dx.doi.org/10.1360/n032014-00284.

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Dengaev, Aleksey V., Mohammed A. Khelkhal, Andrey A. Getalov, Gadel F. Baimukhametov, Aydar A. Kayumov, Alexey V. Vakhin, and Marat R. Gafurov. "Innovations in Oil Processing: Chemical Transformation of Oil Components through Ultrasound Assistance." Fluids 8, no. 4 (March 24, 2023): 108. http://dx.doi.org/10.3390/fluids8040108.

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The present review paper discusses the different aspects related to the chemical transformation of oil components through ultrasound assistance. Ultrasound intensifies heat and mass transfer processes in oil production and treatment, which is used to separate water–oil emulsions, optimize pumping, clean the bottomhole zone, and more. The main reason for the positive effect of ultrasound is the cavitation phenomenon, which forms vapor–gas bubbles that cause changes in the structure and properties of dispersed phases, intensifying processes such as dissolution, extraction, and emulsification. The inhomogeneities in the medium being processed also reduce resistance to bubble formation and increase the intensity of technological processes. It is believed that ultrasonic treatment of heavy oil influences the colloid structure of oil. Such effects were observed in several studies. Despite the widespread use of ultrasound in oil processing, the chemical transformation of hydrocarbons during ultrasonic treatment remains an understudied area, particularly for heavy oil. Furthermore, the transformation mechanism of high-molecular-weight fragments of oil under ultrasonic energy is still poorly understood. Heavy oil can benefit greatly from ultrasonic treatment, both after production for pipeline transportation or plant processing and in the reservoir. This is due to the improved mobility of oil in rock and the chemical transformation of high-molecular components, such as resins, asphaltenes, and paraffins. These transformations contribute to the overall improvement of heavy oil processing, making it a crucial area for further research and development. In this review paper, we will explore the latest innovations in oil processing, specifically focusing on the chemical transformation of oil components through ultrasound assistance. This will include a comprehensive analysis of the underlying mechanisms of ultrasonic treatment and their impact on the chemical composition of oil. The review will also include a discussion of the current state of the art and future directions for research in this field, highlighting the potential for further advancements in the use of ultrasound in oil processing.

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Nadtochii, Iryna. "Transformation of territories and reengineering of business processes as basic management technologies." Economies' Horizons, no. 3(14) (November 23, 2021): 45–54. http://dx.doi.org/10.31499/2616-5236.3(14).2020.234890.

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The purpose of the article. The aim of the article is to define new concepts of transformation and reengineering of business processes, their types, properties and research of significance in the development of territories. Methodology. The theoretical and methodological basis of the study are the scientific works of scientists in the study of business process management in the system of competitive development of territories. To achieve this goal, the following research methods were used: theoretical generalization – providing the basic characteristics of models of economic development in the conditions of transformational changes in national economies; methods of positive and normative analysis – to determine the strategy and priorities for the transformation of regional development. Results. It is proved that transformation is a permanent form of life, a movement in which old and new coexist, in certain conditions innovative spheres survive and develop, such as material and technical and social base of scientific and technological progress, reforms, social consequences and sometimes negative for society neoplasms and deformities. Reforms do not stop historical, evolutionary transformations, they give them new impulses, directions, limit or expand the scale of their impact on all aspects of society. It is substantiated that the strategy of “catching up” and the strategy of “advanced technologies” should be implemented simultaneously, not in turn, as their common goal is to achieve a new technological level of the Ukrainian economy. It is determined that the strategy of “catching up” can be used in the manufacture of household appliances, engines and in the automotive and chemical industries. It is proved that Ukraine can and should pursue a strategy of “advanced technologies” in the production of certain weapons, aerospace and shipbuilding industry, chemical, heavy and energy engineering, transport, information technology, participate in global cooperation in nanotechnology and biotechnology. Prospects for the transformation of territories are identified, including: transition from extensive to intensive management methods, implementation of programs to increase regional production of goods, priority of small farms, development of social reforms, priority of small farms, restructuring of the regional economy. Practical meaning. Models of economic development for transformational changes in national economies can be used by regional public authorities. Prospects for further research. Study of strategy and priorities for regional development transformation.

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Tamir, Abraham. "Evolution and Transformation." Canadian Journal of Chemical Engineering 82, no. 3 (May 19, 2008): 624. http://dx.doi.org/10.1002/cjce.5450820324.

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Mourot, Mickael, Alice Courleux, Moukrane Dehmas, Elisabeth Aeby-Gautier, Guillaume Geandier, Olivier Dezellus, Jean Claude Viala, Olivier Martin, Nikhil Karnatak, and Frederic Danoix. "Transformation Kinetics and Resulting Microstructure in MMC Reinforced with TiC Particles." Solid State Phenomena 172-174 (June 2011): 747–52. http://dx.doi.org/10.4028/www.scientific.net/ssp.172-174.747.

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The phase transformation kinetics on cooling and resulting microstructures of steel-based matrix composites (MMC) reinforced with TiC particles by powder metallurgy were studied. In addition, the phase transformation kinetics of the MMC were compared to those of the same steel without TiC and consolidated in the same conditions. The presence of TiC particles strongly favors the diffusive transformations in the steel matrix of the MMC. Different complementary techniques (XRD, SEM, TEM/EDX, atom probe tomography, in situ synchrotron XRD) were performed to analyze the chemical reactivity between TiC particles and the steel powders occurring during consolidation process and further heat treatments. Composition changes in the TiC as well as in the matrix were characterized. The chemical composition after treatment in the TiC particles tends toward the thermodynamic calculations with ThermoCalc. The effect of changes in chemical composition and the role of TiC particles acting as new favorable nucleation sites are discussed in regards to the obtained results.

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Ji, Yu, Qiang Yao, Weihong Cao, and Yueying Zhao. "A Probable Origin of Dibenzothiophenes in Coals and Oils." Energies 14, no. 1 (January 5, 2021): 234. http://dx.doi.org/10.3390/en14010234.

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To probe the possibility of thiophenolate as an origin of dibenzothiophenes (DBTs) and establish the detailed chemical transformations from thiophenolate to DBTs, the thermal degradation of thiophenolate has been carried out at various temperatures. The characterizations of both gaseous products and solid residues indicate that DBTs together with benzene, diphenyl sulfide, and diphenyl disulfide are the major degradation products. The presence of benzene supports that the thermal degradation of thiophenolate begins with the homolysis of Ar‒H bonds. The subsequent hydroarylation followed by the elimination and cyclization reactions facilely generates DBTs. The transformation of thiophenolate to DBTs is chemically simple and highly geochemically feasible. It readily unifies the chemical pathways involved in the generation of DBTs from thiophenolate and that of dibenzofurans from phenolate in nature.

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Parkins, A. W. "Catalytic Hydration of Nitriles to Amides." Platinum Metals Review 40, no. 4 (October 1, 1996): 169–74. http://dx.doi.org/10.1595/003214096x404169174.

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The hydration of nitriles to amides is one of the basic transformations in organic chemistry However, it is not generally appreciated how difficult this transformation is to carry out efficiently since amides themselves undergo further hydrolysis to the acid. While nicotinamide and acrylamide are usually manufactured from the corresponding nitriles using metallic copper heterogeneous catalysts, applications in the fine chemicals industry are rare. Now, the use of a new platinum-containing homogeneous catalyst applicable to complex organic nitriles containing sensitive functional groups will create an opportunity for nitrile hydration in the fine chemical and pharmaceutical industries.

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