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Journal articles on the topic 'Analytical chemistry|Physical chemistry|Engineering'

Author: Grafiati

Published: 4 June 2021

Last updated: 17 February 2022

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1

Vasilevskaya, Elena, and Viktor Khvalyuk. "CHEMISTRY IN THE NEW GENERATION OF UNIVERSITY EDUCATION STANDARDS IN BELARUS." GAMTAMOKSLINIS UGDYMAS / NATURAL SCIENCE EDUCATION 6, no. 3 (December 5, 2009): 24–28. http://dx.doi.org/10.48127/gu-nse/09.6.24b.

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The article presents the structure and content of a new generation of post-secondary education standards in Belarus. New educational standards consist of four units: a social science core, a natural science core, a core of professional disciplines, and a selection of special courses. We discuss the place and role of chemistry in new curriculums for students of natural sciences, engineering and humanities. For chemistry students, the natural science core includes such disciplines as Higher Mathemat-ics, Physics, Ecology, Introduction to Information Technology, Information Technology in Chemistry, and Mathematical Modeling of Chemical Processes and others. In the core of professional disciplines there are classical selection of chemistry courses including Inorganic Chemistry, Analytical Chemistry, Organic Chemistry, Physical Chemistry, Chemistry of Polymers and Biopolymers, Chemical Technology, Instru-mental Methods of Chemical Analysis, Physical Methods of Structure Determination, Quantum Chemistry, Crystal chemistry, Structure of Matter, Fundamental Problems of Chemistry, etc. Key words: chemical university education, education standard techniques.

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2

Howard, AlanG. "Physical methods of chemistry." Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 256, no. 1 (November 1988): 235–36. http://dx.doi.org/10.1016/0022-0728(88)85025-3.

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3

Bartlett, P. N. "Studies in physical and theoretical chemistry." Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 256, no. 1 (November 1988): 235. http://dx.doi.org/10.1016/0022-0728(88)85024-1.

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4

Koryta, J. "Physical methods of chemistry. Vol. 2. Electrochemical methods." Journal of Electroanalytical Chemistry and Interfacial Electrochemistry 255, no. 1-2 (November 1988): 337–38. http://dx.doi.org/10.1016/0022-0728(88)80028-7.

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5

Yang, Mo, Peng Tian, and Jing Zeng. "UV-Spectrum Analysis of N-Octyl Pyridine Tetrafluoroborate in Ethanol." Applied Mechanics and Materials 707 (December 2014): 24–27. http://dx.doi.org/10.4028/www.scientific.net/amm.707.24.

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Ionic liquids have been attracting extraordinary attention for their unique properties, such as high ionic conductivity, negligible vapor pressure, and high thermal and electrochemical stability, which have made their varied applications in organic chemistry, material science, chemical engineering, physical chemistry, analytical chemistry and biotechnology. N-octyl-pyridine tetrafluoroborate is prepared by the double decomposition reaction of OPB and NaBF4. The ionic liquid at room temperature used in the experiment has a significant absorption determined by UV spectrum within the range of 200-400nm, the maximum absorption wavelength of OP-BF4 ionic liquid in ethanol is 243nm. The standard working curve of OP-BF4 ionic liquid is y=0.0322+0.01542X (R=0.99962). The linear range of OP-BF4 ionic liquids in the ethanol is 1-75 mg/L. The recovery rate of OP-BF4 ionic liquid which is between 96.8% and 101%, is measured by standard addition method in ethanol.

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6

Shlyapnikov, Yury A. "Physical Chemistry of Disorder in Polymer Chains Arrangement." International Journal of Polymeric Materials 18, no. 3-4 (November 1992): 179–87. http://dx.doi.org/10.1080/00914039208029319.

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7

Bai, Chunli. "Preface." Pure and Applied Chemistry 78, no. 5 (January 1, 2006): iv. http://dx.doi.org/10.1351/pac20067805iv.

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"Creativity is the soul of a nation and an inexhaustible source of a country's prosperity." Original innovation, as the major source of new technologies, will not only bring about technological breakthroughs, but give rise to new industries and new economic structures, offering unlimited opportunities for later starters to overtake the frontrunners. "Innovation in Chemistry" is the specific theme for the 40th International Union of Pure and Applied Chemistry (IUPAC) Congress, which was held on 14-19 August 2005 in Beijing, China. The Congress provided an excellent forum for presenting the latest innovative achievements in the chemical sciences and in the practice of chemistry.A total of 1083 participants from 64 countries attended the Congress. With 412 of the participants from mainland China and 556 from other countries and regions, the Congress helped to build a bridge between Chinese chemists and the world, encouraging cooperation and excellence in fundamental research and industrializations.The high-scientific value of the Congress was evident in the plenary lectures, which were delivered by eight distinguished chemists, including three Nobel Laureates and one Einstein Award Winner. A total of 1145 papers and 622 posters were presented in the eight sessions of the Congress: (1) Environmental Chemistry and Green Chemistry; (2) Chemistry in the Life Sciences and Chemical Biology; (3) Materials Chemistry, Supermolecular Chemistry, and Nanochemistry; (4) Information Technology in Chemistry and Computational Chemistry; (5) Innovation in Physical Chemistry and Biophysical Chemistry: Research Methods and Techniques; (6) Innovation in Methodology, Technique, and Instrumentation and Analytical Chemistry; (7) Innovation in Chemical Education and Teaching Methods; (8) Innovation in the Chemical and Petrochemical Industries and "Responsible Care" for Society.Fourteen papers selected from the plenary and invited lectures from the 40th IUPAC Congress are published in this special issue of Pure and Applied Chemistry (PAC), which cover a spectrum from theoretical chemistry to chemical engineering, from micro/nanoscale studies to industrial-scale process/equipment evaluations. The review on the study of single molecules and their assembly provides a comprehensive, up-to-date summary of the field based on the fundamental research; much of the information presented falls within the special expertise of the group. The paper on the superheavy element describes the latest developments in a field that has shown higher activity in recent years as the predicted "island of stability" comes within the reach of the available hardware. This area is always of special interest to international scientists owing to the special synthesis techniques for superheavy elements employed by the Dubna group. Green chemistry is becoming a characteristic area in China that plays a significant role in motivating the development of new synthetic techniques, such as cross-dehydrogenative coupling. Other papers in this issue address a variety of topics from novel instrumentation for electrochemical impedance spectroscopy to synthesis of oxide nanomaterials; from catalysts to waste water treatment. These papers give a snapshot of the research reported at the 40th IUPAC Congress. I sincerely hope that this special issue of PAC brings some fresh ideas, novel concepts, and useful data to the readers.The International Organizing Committee contributed to the shaping of an important area of emerging science and technology. Thanks and appreciations are due to the Local Organizing Committee for the efficiency and excellence of the local arrangements and for the gracious hospitality. I am grateful to those who contributed their latest research work to this issue, and the support from Dr. John W. Jost, IUPAC Executive Director.Chunli BaiPresident of the 40th IUPAC Congress,President of the Chinese Chemical Society,and Executive Vice President of the Chinese Academy of Sciences

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8

Bokor, Corina, Vlad Mureşan, Toderiţa Nemeş, and Claudiu Isarie. "Analogical Modeling and Numerical Simulation for Sintering Phenomena." Applied Mechanics and Materials 436 (October 2013): 127–36. http://dx.doi.org/10.4028/www.scientific.net/amm.436.127.

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In this paper the authors propose an approach for analogical modeling and numerical simulation of the phenomena of sintering, taking into account different cases depending on the type of energy used in the process of aggregation and the nature of the material powder, using a software which simulates the propagation and the control of the temperature. Many physical phenomena encountered in science and engineering can be described mathematically through partial differential equations (PDE) and ordinary differential equations (ODE) such as propagation phenomena, engineering applications, hydrotechnics, chemistry, pollution a.s.o. There may be situations when the exact establish of the analytical solutions becomes difficult or impossible for arbitrary shapes. In these cases the determination of some approximant solution through experimental methods, that have to verify with acceptable errors, the PDE expression specified to the studied phenomenon, is justified.

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9

YARMAKOVSKY, V. N., and D. Z. KADIEV. "PHYSICAL BASIS OF CONCRETE DURABILITY AT LOW SUBZERO TEMPERATURES." Building and reconstruction 90, no. 4 (2020): 122–36. http://dx.doi.org/10.33979/2073-7416-2020-90-4-122-136.

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Generalization and analysis of scientific hypotheses and theories of domestic and foreign researchers in the field of the frost action mechanism on concrete has been performed. A critical author's assessment of them from the point of view of the basics of physical chemistry of silicates and solid state physics is presented. The initial prerequisites for the frost resistance of heavy concrete and equal-strength structural light concrete in connection with their structure are formulated, including of this article author's targeted experimental studies on the relationship of the frost resistance of these concretes with their pore structure. Thermodynamic models of freezing-thawing of water, including its adsorption layers in capillaries of cement materials porous structures are used. The data of studies of the critical degree of water saturation of concrete are considered and a reasonable assessment of it is given as an integral characteristic that determines the possibility of formation of micro- and then macro-defects in the concrete structure during its cyclic freezing and thawing. Based on the results of analytical and experimental studies, using the basic principles of physics of the solid state, as well as the physical and physical-chemistry of silicates, has been developed the physical-chemical basis for the resistance of structural lightweight concrete in comparison with equally strong normal weight concrete to the effects of low (up to minus 70 °C) subzero temperatures. The results of this work are considered by the authors as a modern scientific basis for the development of the main provisions of the technology for manufacturing structural lightweight and normal weight concretes with high durability (frost resistance and water resistance), intended for reinforced concrete structures of engineering constructions, operated in severe climatic conditions, including in the conditions of the Arctic coast.

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YARMAKOVSKY, V. N., and D. Z. KADIEV. "PHYSICAL BASIS OF CONCRETE DURABILITY AT LOW SUBZERO TEMPERATURES (PART 2)." Building and reconstruction 91, no. 5 (2020): 133–44. http://dx.doi.org/10.33979/2073-7416-2020-91-5-133-144.

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Generalization and analysis of scientific hypotheses and theories of domestic and foreign researchers in the field of the frost action mechanism on concrete has been performed. A critical author's assessment of them from the point of view of the basics of physical chemistry of silicates and solid state physics is presented. The initial prerequisites for the frost resistance of heavy concrete and equal-strength structural light concrete in connection with their structure are formulated, including of this article author's targeted experimental studies on the relationship of the frost resistance of these concretes with their pore structure. Thermodynamic models of freezing-thawing of water, including its adsorption layers in capillaries of cement materials porous structures are used. The data of studies of the critical degree of water saturation of concrete are considered and a reasonable assessment of it is given as an integral characteristic that determines the possibility of formation of micro- and then macro-defects in the concrete structure during its cyclic freezing and thawing. Based on the results of analytical and experimental studies, using the basic principles of physics of the solid state, as well as the physical and physical-chemistry of silicates, has been developed the physical-chemical basis for the resistance of structural lightweight concrete in comparison with equally strong normal weight concrete to the effects of low (up to minus 70 °C) subzero temperatures. The results of this work are considered by the authors as a modern scientific basis for the development of the main provisions of the technology for manufacturing structural lightweight and normal weight concretes with high durability (frost resistance and water resistance), intended for reinforced concrete structures of engineering constructions, operated in severe climatic conditions, including in the conditions of the Arctic coast.

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11

Meyer, Veronika R. "Peaks and more." Pure and Applied Chemistry 91, no. 2 (February 25, 2019): 317–26. http://dx.doi.org/10.1515/pac-2018-0711.

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Abstract After an engagement in analytical chemistry during 50 years, I am looking back to my scientific carreer. To some extent it is based on my successful textbook in high-performance liquid chromatography. However, too much contemplation of one’s own contributions to science is boring, and it is necessary to look ahead to the future challenges in chemistry, namely to cope with the threats of climate change. And there is another topic which was and is most important in my life: mountain climbing. Its physical and maybe also mental top was to reach the summit of Mount Everest in May 2007.

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12

Shlyapnikov, Yu A., and N. N. Kolesnikova. "Physical Chemistry of Topological Disorder in Polymeric Substance: Rearrangement of Additive Sorption Centers." International Journal of Polymeric Materials 32, no. 1-4 (February 1996): 75–83. http://dx.doi.org/10.1080/00914039608029383.

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13

Shlyapnikov, Yu A., and G. B. Giedraityte. "Physical Chemistry of Topological Disorder: Complications at Additives Sorption by Polyethylene from Solutions." International Journal of Polymeric Materials 38, no. 1-2 (November 1997): 37–47. http://dx.doi.org/10.1080/00914039708031493.

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14

Leyva, Elisa, Denisse de Loera, Claudia G. Espinosa-González, and Saúl Noriega. "Physicochemical Properties and Photochemical Reactions in Organic Crystals." Current Organic Chemistry 23, no. 3 (May 9, 2019): 215–55. http://dx.doi.org/10.2174/1385272822666190313152105.

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Background: Molecular organic photochemistry is concerned with the description of physical and chemical processes generated upon the absorption of photons by organic molecules. Recently, it has become an important part of many areas of science: chemistry, biology, biochemistry, medicine, biophysics, material science, analytical chemistry, among others. Many synthetic chemists are using photochemical reactions in crystals to generate different types of organic compounds since this methodology represents a green chemistry approach. Objective & Method: Chemical reactions in crystals are quite different from reactions in solution. The range of organic solid state reactions and the degree of control which could be achieved under these conditions are quite wider and subtle. Therefore, for a large number of molecular crystals, the photochemical outcome is not the expected product based on topochemical principles. To explain these experimental results, several physicochemical factors in crystal structure have been proposed such as defects, reaction cavity, dynamic preformation or photoinduced lattice instability and steric compression control. In addition, several crystal engineering strategies have been developed to bring molecules into adequate orientations with reactive groups in good proximity to synthesize complex molecules that in many cases are not available by conventional methods. Some strategies involve structural modifications like intramolecular substitution with different functional groups to modify intermolecular interactions. Other strategies involve chemical techniques such as mixed crystal formation, charge transfer complexes, ionic and organometallic interactions. Furthermore, some examples of the single crystal to single crystal transformations have also been developed showing an elegant method to achieve regio and stereoselectivity in a photochemical reaction. Conclusion: The several examples given in this review paper have shown the wide scope of photochemical reactions in organic molecular crystals. There are several advantages of carrying photochemical reaction in the solid state. Production of materials unobtainable by the traditional solution phase reactions, improved specificity, reduction of impurities, and enhancement in the yields by the reduction of side reactions. These advantages and the multidisciplinary nature of solid-state photochemistry make this discipline quite likely to develop a lot in the future.

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15

Harsh, Joseph, John J. Esteb, and Adam V. Maltese. "Evaluating the development of chemistry undergraduate researchers’ scientific thinking skills using performance-data: first findings from the performance assessment of undergraduate research (PURE) instrument." Chemistry Education Research and Practice 18, no. 3 (2017): 472–85. http://dx.doi.org/10.1039/c6rp00222f.

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National calls in science, technology, engineering, and technology education reform efforts have advanced the wide-scale engagement of students in undergraduate research for the preparation of a workforce and citizenry able to attend to the challenges of the 21st century. Awareness of the potential benefits and costs of these experiences has led to an emerging literature base outlining gains in participants’ cognitive, affective, and conative domains to support the impact of undergraduate research for students of all backgrounds; however, the majority of this work has relied on self-report data limiting inferences to the causal effects on student learning. As part of a larger project on apprentice-like undergraduate research experiences (UREs) in the physical sciences, the present exploratory study complemented indirect self-report data with direct performance data to assess the development of chemistry students’ scientific thinking skills over a research experience. Performance data were collected using the Performance assessment of Undergraduate Research Experiences (PURE) instrument, a validated tool designed to assess changes in chemistry students’ analytical and data driven decision-making skills through open-response tasks situated in real-world problems from primary literature. Twenty-four summer research students in chemistry (46% women; 50% 1st/2nd year students; 42% first time URE participant) from seven colleges and universities provided baseline and post-intervention performance data. Differences in pre/post-response task correctness provided a direct measure of individual changes in student competencies. Early study findings indicate the positive contributions of UREs to student's competencies in the areas of problem-solving, experimental design and the use of research techniques, data analysis and the interpretation of results, and the evaluation of primary literature. Survey data were also collected on students’ self-skill ratings to allow comparisons between perceived and demonstrated competencies, which were found to be weakly correlated. This work begins to offer direct evidence to the effect of UREs on student learning progressions as well as the potential use of performance test data in evaluating the success of research training interventions designed to improve scientific thinking skills.

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16

Cremer, Dieter. "Calculation of puckered rings with analytical gradients." Journal of Physical Chemistry 94, no. 14 (July 1990): 5502–9. http://dx.doi.org/10.1021/j100377a017.

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17

SODHA, M. S., P. K. BANSAL, A. DANG, and S. B. SHARMA. "OPEN SUN DRYING : AN ANALYTICAL STUDY." Drying Technology 3, no. 4 (November 1985): 517–27. http://dx.doi.org/10.1080/07373938508916295.

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18

Naor, Ayal, Sudhakar Puvvada, and Daniel Blankschtein. "An analytical expression for the free energy of micellization." Journal of Physical Chemistry 96, no. 19 (September 1992): 7830–32. http://dx.doi.org/10.1021/j100198a060.

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19

Zhou, Xiao Lin, Sow Hsin Chen, and Gian P. Felcher. "New analytical formula for neutron reflection from surface films." Journal of Physical Chemistry 95, no. 23 (November 1991): 9025–29. http://dx.doi.org/10.1021/j100176a001.

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20

Lyu, Yaqi, and Helena S. Azevedo. "Supramolecular Hydrogels for Protein Delivery in Tissue Engineering." Molecules 26, no. 4 (February 7, 2021): 873. http://dx.doi.org/10.3390/molecules26040873.

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Therapeutic proteins, such as growth factors (GFs), have been used in tissue engineering (TE) approaches for their ability to provide signals to cells and orchestrate the formation of functional tissue. However, to be effective and minimize off-target effects, GFs should be delivered at the target site with temporal control. In addition, protein drugs are typically sensitive water soluble macromolecules with delicate structure. As such, hydrogels, containing large amounts of water, provide a compatible environment for the direct incorporation of proteins within the hydrogel network, while their release rate can be tuned by engineering the network chemistry and density. Being formed by transient crosslinks, afforded by non-covalent interactions, supramolecular hydrogels offer important advantages for protein delivery applications. This review describes various types of supramolecular hydrogels using a repertoire of diverse building blocks, their use for protein delivery and their further application in TE contexts. By reviewing the recent literature on this topic, the merits of supramolecular hydrogels are highlighted as well as their limitations, with high expectations for new advances they will provide for TE in the near future.

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21

Harding, Stephen E., Peter J. Morgan, and Karel Petrak. "Low-speed flotation equilibrium of macromolecules in the analytical ultracentrifuge." Journal of Physical Chemistry 94, no. 2 (January 1990): 978–80. http://dx.doi.org/10.1021/j100365a087.

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22

REARDON, S. A., M. R. DAVIS, and P. E. DOE. "CONSTRUCTION OF AN ANALYTICAL MODEL OF PAPER DRYING." Drying Technology 17, no. 4-5 (April 1999): 655–90. http://dx.doi.org/10.1080/07373939908917563.

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23

Baonza, Valentin Garcia, Mercedes Caceres, and Javier Nunez. "Extended analytical equation of state for liquids from expansivity data analysis." Journal of Physical Chemistry 97, no. 41 (October 1993): 10813–17. http://dx.doi.org/10.1021/j100143a047.

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24

Tsay, Ming Yueh. "Bibliometric study of the application of computers in synthetic organic, physical, inorganic, and analytical chemistry literature abstracted by Chemical Abstracts in 1986." Journal of Chemical Information and Modeling 29, no. 3 (August 1, 1989): 156–58. http://dx.doi.org/10.1021/ci00063a004.

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25

Zharikov, A. A., P. O. J. Scherer, and S. F. Fischer. "Analytical Treatment of Nonexponential Electron Transfer Coupled to Intramolecular and Medium Modes." Journal of Physical Chemistry 98, no. 13 (March 1994): 3424–31. http://dx.doi.org/10.1021/j100064a025.

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26

Thevenot, D. R., K. Tóth, R. A. Durst, and G. S. Wilson. "Electrochemical Biosensors: Recommended Definitions and Classification." Pure and Applied Chemistry 71, no. 12 (January 1, 1999): 2333–48. http://dx.doi.org/10.1351/pac199971122333.

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Two Divisions of the International Union of Pure and Applied Chemistry (IUPAC), namely Physical Chemistry (Commission I.7 on Biophysical Chemistry formerly Steering Committee on Biophysical Chemistry) and Analytical Chemistry (Commission V.5 on Electroanalytical Chemistry) have prepared recommendations on the definition, classification and nomenclature related to electrochemical biosensors; these recommendations could, in the future, be extended to other types of biosensors.An electrochemical biosensor is a self-contained integrated device, which is capable of providing specific quantitative or semi-quantitative analytical information using a biological recognition element (biochemical receptor) which is retained in direct spatial contact with an electrochemical transduction element. Because of their ability to be repeatedly calibrated, we recommend that a biosensor should be clearly distinguished from a bioanalytical system, which requires additional processing steps, such as reagent addition. A device which is both disposable after one measurement, i.e., single use, and unable to monitor the analyte concentration continuously or after rapid and reproducible regeneration should be designated a single use biosensor.Biosensors may be classified according to the biological specificity-conferring mechanism or, alternatively, to the mode of physico-chemical signal transduction. The biological recognition element may be based on a chemical reaction catalysed by, or on an equilibrium reaction with macromolecules that have been isolated, engineered or present in their original biological environment. In the latter cases, equilibrium is generally reached and there is no further, if any, net consumption of analyte(s) by the immobilized biocomplexing agent incorporated into the sensor. Biosensors may be further classified according to the analytes or reactions that they monitor: direct monitoring of analyte concentration or of reactions producing or consuming such analytes; alternatively, an indirect monitoring of inhibitor or activator of the biological recognition element (biochemical receptor) may be achieved. A rapid proliferation of biosensors and their diversity has led to a lack of rigour in defining their performance criteria. Although each biosensor can only truly be evaluated for a particular application, it is still useful to examine how standard protocols for performance criteria may be defined in accordance with standard IUPAC protocols or definitions. These criteria are recommended for authors, referees and educators and include calibration characteristics (sensitivity, operational and linear concentration range, detection and quantitative determination limits), selectivity, steady-state and transient response times, sample throughput, reproducibility, stability and lifetime.

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27

Nagy, Jenoe, Vedene H. Smith, and Donald F. Weaver. "Critical Evaluation of Benzene Analytical Nonbonded Force Fields. Reparametrization of the MM3 Potential." Journal of Physical Chemistry 99, no. 38 (September 1995): 13868–75. http://dx.doi.org/10.1021/j100038a018.

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28

Zhang, Hongxing, and K. Balasubramanian. "Analytical expressions for the moments and characteristic polynomials of fullerenes containing isolated pentagons." Journal of Physical Chemistry 97, no. 40 (October 1993): 10341–45. http://dx.doi.org/10.1021/j100142a012.

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29

Murray, Kermit K., Robert K. Boyd, Marcos N. Eberlin, G. John Langley, Liang Li, and Yasuhide Naito. "Definitions of terms relating to mass spectrometry (IUPAC Recommendations 2013)." Pure and Applied Chemistry 85, no. 7 (June 6, 2013): 1515–609. http://dx.doi.org/10.1351/pac-rec-06-04-06.

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This document contains recommendations for terminology in mass spectrometry. Development of standard terms dates back to 1974 when the IUPAC Commission on Analytical Nomenclature issued recommendations on mass spectrometry terms and definitions. In 1978, the IUPAC Commission on Molecular Structure and Spectroscopy updated and extended the recommendations and made further recommendations regarding symbols, acronyms, and abbreviations. The IUPAC Physical Chemistry Division Commission on Molecular Structure and Spectroscopy’s Subcommittee on Mass Spectroscopy revised the recommended terms in 1991 and appended terms relating to vacuum technology. Some additional terms related to tandem mass spectrometry were added in 1993 and accelerator mass spectrometry in 1994. Owing to the rapid expansion of the field in the intervening years, particularly in mass spectrometry of biomolecules, a further revision of the recommendations has become necessary. This document contains a comprehensive revision of mass spectrometry terminology that represents the current consensus of the mass spectrometry community.

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30

Fissore, Davide, Roberto Pisano, and Antonello A. Barresi. "Process analytical technology for monitoring pharmaceuticals freeze-drying – A comprehensive review." Drying Technology 36, no. 15 (March 14, 2018): 1839–65. http://dx.doi.org/10.1080/07373937.2018.1440590.

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31

Fernandez Pacios, L. "Simple analytical representation of atomic electron charge densities, electrostatic potentials, and local exchange potentials." Journal of Physical Chemistry 96, no. 18 (September 1992): 7294–301. http://dx.doi.org/10.1021/j100197a029.

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32

Swallen, S. F., Kristin Weidemaier, and M. D. Fayer. "Excluded Volume Effects in Photoinduced Electron Transfer and Geminate Recombination: Analytical Theory and Simulations." Journal of Physical Chemistry 99, no. 7 (February 1995): 1856–66. http://dx.doi.org/10.1021/j100007a012.

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33

Helman, Adam, Thomas Thacher, and Herschel Rabitz. "Analytical Derivatives of Molecular Vibrational Frequencies with Respect to Coordinates and Model Potential Parameters." Journal of Physical Chemistry 99, no. 23 (June 1995): 9344–51. http://dx.doi.org/10.1021/j100023a008.

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34

Wei, Tai Guang, and Robert E. Wyatt. "Analytical potential surface for the formyl fluoride .fwdarw. hydrogen fluoride + carbon monoxide unimolecular reaction." Journal of Physical Chemistry 97, no. 51 (December 1993): 13580–85. http://dx.doi.org/10.1021/j100153a027.

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35

Bernshtein, V., and I. Oref. "Effects of Supercollisions, Analytical Expressions for Collision Efficiency, and Average Energy Transferred in Collisions." Journal of Physical Chemistry 98, no. 14 (April 1994): 3782–87. http://dx.doi.org/10.1021/j100065a038.

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36

Ehrenson, S. "Boundary continuity and analytical potentials in continuum solvent models. Implications for the Born model." Journal of Physical Chemistry 91, no. 7 (March 1987): 1868–73. http://dx.doi.org/10.1021/j100291a036.

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37

Plakatouras, John C. "Preface." Pure and Applied Chemistry 85, no. 2 (January 1, 2013): iv. http://dx.doi.org/10.1351/pac20138502iv.

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It is a privilege to act as the conference editor for this issue of Pure and Applied Chemistry (PAC) dedicated to the 12th Eurasia Conference on Chemical Sciences (EuAsC2S-12). The Eurasia Conferences on Chemical Sciences started in Bangkok in 1988 under the leadership of the founders, Bernd M. Rode (Austria), Hitoshi Ohtaki (Japan), and Ivano Bertini (Italy), together with Salag Dhabandana (Bangkok).During the preparation of the present issue of PAC, on 7 July 2012, Ivano Bertini, leading scientist in chemistry and biology, passed away. We will always remember him for his unselfish leadership and enormous contribution in paramagnetic NMR.The aim of the conferences is to foster friendship and exchange of knowledge between chemists in the Eurasian supercontinent as well as those in the Americas and Australia. While all previous conferences have been held in Asia or the Middle East, EuAsC2S-12 took place at the Hotel Corfu Chandris, on the island of Corfu, Greece, on 16-21 April 2012 with the aim of encouraging and enhancing the participation of European scientists and thus help to make them better known. EuAsC2S-12 was organized by the University of Ioannina on the Greek mainland with Emeritus Prof. Nick Hadjiliadis as Chair of the local organizing committee.The total number of participants was 450, with ca. 400 active delegates from 60 countries. The scientific program comprised 14 sessions, each of which was represented by invited speakers and further oral presentations on the following topics:- bioinorganic chemistry- pharmaceutical chemistry and drug design- organic synthesis and natural products- environmental and green chemistry- physical chemistry and spectroscopy- theoretical and computational chemistry- organometallic chemistry and catalysis- clinical biochemistry and molecular diagnostics- coordination chemistry and inorganic polymers- analytical and solution chemistry- supramolecular chemistry and nanomaterials- food chemistry- chemical education- polymer scienceThe scientific program, which was accompanied by a rich social activities program, included 9 plenary lectures, 214 oral presentations, and 190 poster presentations.The collection of 13 papers in this issue of PAC is a representation of the topics related to inorganic chemistry, covered in the lectures held during EuAsC2S-12. The papers represent a good cross-section of major themes ranging from traditional coordination chemistry, bio inorganic chemistry, supramolecular coordination chemistry, catalysis, and inorganic materials.The 13th Eurasia conference will be held in India in December 2014 with Prof. N. Jayaraman, Bangalore as head of the organizing committee.John C. PlakatourasConference Editor

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Varkentin, N. Ya, E. G. Vinokurov, O. A. Karavaeva, and U. V. Bortnikova. "X-ray fluorescence determination of small quantities of hafnium in nuclear pure zirconium materials." Industrial laboratory. Diagnostics of materials 87, no. 4 (April 23, 2021): 5–12. http://dx.doi.org/10.26896/1028-6861-2021-87-4-5-12.

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An important chemical impurity in the composition of zirconium materials for nuclear power engineering is hafnium, the content of which should not exceed 0.05 and 0.01% for domestic and foreign alloy grades, respectively. Hafnium, being an analogue of zirconium in its chemical properties, is difficult to be analyzed using classical methods of analytical chemistry. Among the physical methods, the X-ray fluorescence method is the most expressive, which is important in conditions of continuous production. The method of X-ray fluorescence for measuring the content of hafnium in zirconium-containing material has been tested on the example of potassium fluorozirconate, a precursor for obtaining alloys. With various combinations of crystal analyzers, detectors, and collimators of the wave-dispersive spectrometer, the ratios of the intensities of the analytical lines of Hf and Zr in the second order of reflection were refined, and the degree of decrease in the fluorescence intensity of those lines was determined. The X-ray fluorescence spectra of hafnium lines in potassium fluorozirconate at the content characteristic of nuclear-pure zirconium are studied. The possibility of recording the intensity of the Hf analytical lines and methods of eliminating the interference from the Zr lines in the second order of reflection are considered. The metrological characteristics are calculated for Hf analytical lines. It is shown that the smallest error and the lowest detection limit (0.001%) is provided when using the HfLβ1 line at certain settings of the wave-dispersive spectrometer, including the X-ray tube operation mode, a combination of a crystal analyzer, a detector and a collimator, as well as the amplitude discriminator settings. The method of accounting for the background is recommended. The proposed method of hafnium determination is applicable to the materials with a constant content of zirconium.

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Cdrdova-Quiroz, A. V., M. A. Ruiz-Cabrera, and M. A. Garcfa-Alvarado. "Analytical Solution of Mass Transfer Equation with Interfacial Resistance in Food Drying." Drying Technology 14, no. 7-8 (January 1996): 1815–26. http://dx.doi.org/10.1080/07373939608917175.

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Pota, Gyorgy, Istvan Lengyel, and Gyorgy Bazsa. "Traveling waves in the acidic nitrate-iron(II) reaction: analytical description of the wave velocity." Journal of Physical Chemistry 95, no. 11 (May 1991): 4379–81. http://dx.doi.org/10.1021/j100164a039.

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Pacios, L. Fernandez. "Kinetic Energies and Exchange Model Potentials Calculated with a Simple Analytical Representation of Atomic Densities." Journal of Physical Chemistry 98, no. 14 (April 1994): 3688–93. http://dx.doi.org/10.1021/j100065a024.

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Mezei, M., and J. J. Dannenberg. "An evaluation of water-water analytical potentials in the region of low-energy trifurcated structures." Journal of Physical Chemistry 92, no. 21 (October 1988): 5860–61. http://dx.doi.org/10.1021/j100332a003.

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Muravyev, Nikita V., Giorgio Luciano, Heitor Luiz Ornaghi, Roman Svoboda, and Sergey Vyazovkin. "Artificial Neural Networks for Pyrolysis, Thermal Analysis, and Thermokinetic Studies: The Status Quo." Molecules 26, no. 12 (June 18, 2021): 3727. http://dx.doi.org/10.3390/molecules26123727.

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Artificial neural networks (ANNs) are a method of machine learning (ML) that is now widely used in physics, chemistry, and material science. ANN can learn from data to identify nonlinear trends and give accurate predictions. ML methods, and ANNs in particular, have already demonstrated their worth in solving various chemical engineering problems, but applications in pyrolysis, thermal analysis, and, especially, thermokinetic studies are still in an initiatory stage. The present article gives a critical overview and summary of the available literature on applying ANNs in the field of pyrolysis, thermal analysis, and thermokinetic studies. More than 100 papers from these research areas are surveyed. Some approaches from the broad field of chemical engineering are discussed as the venues for possible transfer to the field of pyrolysis and thermal analysis studies in general. It is stressed that the current thermokinetic applications of ANNs are yet to evolve significantly to reach the capabilities of the existing isoconversional and model-fitting methods.

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Taghavizadeh Yazdi, Mohammad Ehsan, Simin Nazarnezhad, Seyed Hadi Mousavi, Mohammad Sadegh Amiri, Majid Darroudi, Francesco Baino, and Saeid Kargozar. "Gum Tragacanth (GT): A Versatile Biocompatible Material beyond Borders." Molecules 26, no. 6 (March 10, 2021): 1510. http://dx.doi.org/10.3390/molecules26061510.

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The use of naturally occurring materials in biomedicine has been increasingly attracting the researchers’ interest and, in this regard, gum tragacanth (GT) is recently showing great promise as a therapeutic substance in tissue engineering and regenerative medicine. As a polysaccharide, GT can be easily extracted from the stems and branches of various species of Astragalus. This anionic polymer is known to be a biodegradable, non-allergenic, non-toxic, and non-carcinogenic material. The stability against microbial, heat and acid degradation has made GT an attractive material not only in industrial settings (e.g., food packaging) but also in biomedical approaches (e.g., drug delivery). Over time, GT has been shown to be a useful reagent in the formation and stabilization of metal nanoparticles in the context of green chemistry. With the advent of tissue engineering, GT has also been utilized for the fabrication of three-dimensional (3D) scaffolds applied for both hard and soft tissue healing strategies. However, more research is needed for defining GT applicability in the future of biomedical engineering. On this object, the present review aims to provide a state-of-the-art overview of GT in biomedicine and tries to open new horizons in the field based on its inherent characteristics.

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Vanderkooi, Garret. "Crystal structure refinement using analytical derivatives of the energy function: application to 1,2-dilauroyl-DL-phosphatidylethanolamine." Journal of Physical Chemistry 94, no. 10 (May 1990): 4366–72. http://dx.doi.org/10.1021/j100373a091.

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Wee, Sung Sool, Seungmoak Kim, Mu Shik Jhon, and Harold A. Scheraga. "Analytical intermolecular potential functions from ab initio SCF calculations for hydration of methylamine and methylammonium ion." Journal of Physical Chemistry 94, no. 4 (February 1990): 1656–60. http://dx.doi.org/10.1021/j100367a079.

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Sadykov, R. A., and L. R. Sadikova. "ANALYTICAL AND APPROXIMATE METHODS OF TRANSFER CALCULATION BASED ON THE RECEDING FRONT MODEL." Drying Technology 16, no. 8 (January 1998): 1609–25. http://dx.doi.org/10.1080/07373939808917482.

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Williams, Peter A. "Preface." Pure and Applied Chemistry 83, no. 5 (January 1, 2011): iv. http://dx.doi.org/10.1351/pac20118305iv.

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<div>The 14th International Symposium on Solubility Phenomena and Related Equilibrium Processes (ISSP-14) was held at the Montanuniversität, Leoben, Austria, on 25-30 July 2010, co-chaired by Profs. Helmut Antrekowitsch and Heinz Gamsjäger. As part of the scientific program, a workshop on chemical modeling including kinetic effects was held over several days. The Symposium attracted scientists from all continents, save South America. Speakers at the Symposium covered an astonishing range of topics concerned with solubility phenomena in their widest sense. Oral presentations spanned the fields of analytical chemistry, physical chemistry, and modeling of aqueous and nonaqueous solutions, supersaturation, environmental chemistry, ecotoxicology, ionic liquids, solid solutions and phase relationships, and metallurgy. Aside from oral presentations, two lively poster sessions attracted some 43 presentations, also ranging across the above-mentioned topics.<br /><br />This volume of <I>Pure and Applied Chemistry</i> presents papers based on eight of the key lectures and one of the invited oral presentations at the Symposium. Subjects include the applications, experimental data and theory of the chemistry of salts in aqueous solutions, computational thermochemistry, impurities and calcium sulfate hydrates in hydrometallurgical processes, kinetics of diffusive phase transformations, environmental remediation, free energy minimization methods, supersaturation and phase transformations, and melt corrosion of refractories. These papers offer a glimpse of current research activity in diverse practical and applied aspects of solution chemistry and provide an up-to-date commentary on them.<br /><br />The Organizing Committee is delighted that these papers have been gathered together in one volume and thanks the International Union of Pure and Applied Chemistry for its continuing support in bringing the above-mentioned topics to the attention of the wider scientific community.<br /><br /><b>Peter A. Williams</b><br />Conference Editor<br /><br /></div>

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Wang, Wen-Bin, Jang-Yuan Li, and Qi-Jun Wu. "The Design of a Chemical Virtual Instrument Based on LabVIEW for Determining Temperatures and Pressures." Journal of Automated Methods and Management in Chemistry 2007 (2007): 1–7. http://dx.doi.org/10.1155/2007/68143.

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A LabVIEW-based self-constructed chemical virtual instrument (VI) has been developed for determining temperatures and pressures. It can be put together easily and quickly by selecting hardware modules, such as the PCI-DAQ card or serial port method, different kinds of sensors, signal-conditioning circuits or finished chemical instruments, and software modules such as data acquisition, saving, proceeding. The VI system provides individual and extremely flexible solutions for automatic measurements in physical chemistry research.

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Zhang, Kaiqiang, and Na Jia. "Analytical alpha functions in bulk phase and nanopores." Journal of Supercritical Fluids 147 (May 2019): 102–6. http://dx.doi.org/10.1016/j.supflu.2019.02.003.

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