Institute Of Chemistry Research Articles

Green and sustainable metrics: Charting the course for green-by-design small molecule API synthesis

Sustainable small molecule Active Pharmaceutical Ingredient (API) manufacturing starts at the onset of route development by employing a Green-by-Design strategy. Reliable metrics are imperative for setting targets and measuring process improvements throughout the development cycle. This article reviews some of the many tools and methods established to analyze and assess the greenness and sustainability of a process, each of which highlights different aspects of process efficiency, waste formation or overall environmental impact reduction. Most calculations, such as process mass intensity (PMI), are mass-based and do not consider the types of raw materials used. In contrast, a full life cycle assessment (LCA) offers detailed information about the “cradle to grave” environmental impact of a manufacturing route and its specific resources, but the high data requirements and long timelines are not conducive for multiple processes or repeated assessments during process optimization. To address these challenges, we introduce a Streamlined PMI-LCA Tool, developed in collaboration with the ACS Green Chemistry Institute Pharmaceutical Roundtable (ACS GCIPR), that combines PMI with a “cradle to gate” approach to include the environmental footprint of the synthesis’ raw materials. The frequent re-evaluation of a process continuously highlights areas for improvement and guides the prioritization of process development activities to effectively and rapidly achieve a Green-by-Design commercial synthetic route. The utility of this approach to Green-by-Design is demonstrated with the reduction of PMI for MK-7264 from 366 to 88 over the course of process development.

40 лет Институту химии и химической технологии СО РАН

Information on the organization and activities of the Institute of Chemistry and Chemical Technology of the Krasnoyarsk Scientific Center of the Siberian Branch of the Russian Academy of Sciences is presented. Its scientific directions are highlighted, the results of fundamental scientific and applied research, participation in the creation of technologies for deep processing of mineral and organic resources of Siberia, hydrocarbons and biomass, organization of the development of the scientific potential of the region, international cooperation are noted.

DEVELOPMENT OF RESEARCH OF CHEMISTRY OF COORDINATION COMPOUNDS IN V.I. VERNADSKY INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY NAS OF UKRAINE: FROM THE 30'S TWENTIETH CENTURY(part1)

The review considers the main stages of development of the chemistry of coordination compounds at the Institute of General and Inorganic Chemistry. VI Vernadsky National Academy of Sciences of Ukraine on the occasion of the 90th anniversary of its founding. An overview of complex compounds of p, d, f-me­tals with different classes of ligands (inorganic and organic), features of their synthesis, study of the structure and properties of the obtained compounds, contains current material on the use of synthesized complexes to create functional materials for different purposes. Me­thods of synthesis have been developed, do­zens of new coordination compounds with derivatives of hydrazones, amines, azomethanes, and thiosemicarbazones have been synthesized and isolated in the individual state. Their composition, structure and physicochemical pro­perties are determined. The general regularities that take place in the process of comple­xation of metals with ligands, as well as factors influencing the composition, structure and physico­chemical properties of the obtained coordination compounds are established.
 For the long history of the Institute has accumulated a huge amount of material on the problems of modern coordination chemistry. Significant research in this area belongs to Ukrainian scientists who have worked long and fruitfully at the Institute: A.K. Babko, K.B. Yatsimirsky, Ya.A. Fialkov, I.A. Sheka, S.V. Volkov, N.A. Kostromina, and who created scientific schools, known not only in Ukraine but also abroad. To date, the attention of scientists of the Institute has shifted from classical monomeric to bigeteronuclear, polynuclear, multiligand complexes, which is primarily due to intensive research of new functional materials: optical and magnetic, biologically active substances, as well as effective adsorbents, chemical sensors, catalysts, catalysts, catalysts and biochemical processes.

Peculiarities of ionic mobility and superionic conductivity in Thallium(I) Fluoroantimonates(III). A review

The present analytical review has been revised according to the results of studies on the nature of ionic mobility and conductivity in complex antimony(III) fluorides with thallium cations. The studies have been carried out at the Institute of Chemistry of the Far Eastern Branch of the Russian Academy of Sciences. The relationship between the NMR data, ionic mobility, and conductivity of the compounds has been determined. The suggested mechanisms of the appearance of ionic mobility in the studied antimony fluorides have been investigated, and the factors determining their conductivity have been analyzed. The possibility of using antimony(III) fluorides with thallium(I) cations as functional materials has been discussed.

Leipzig, Berlin and Hannover: Three Stations of a Beneficial Cooperation

AbstractThis essay looks back at the three stations of Jürgen Caro's career, starting with his time as a diploma student of Chemistry (1974–1975) and PhD student in the NMR laboratory (1975–1977) at the University of Leipzig, followed by his stay in Berlin at the Central Institute of Physical Chemistry and, afterwards, the newly founded Institute of Applied Chemistry and, finally, his appointment as full professor for Physical Chemistry at the Hannover University. The focus is on some of the results of our collaboration, including the use of PFG NMR and microimaging for in‐situ observation of diffusion in nanoporous materials and the useful application of these findings in the production of high‐performance membranes. Reference is also given to joint activities in science organization such as in European research networks and the Diffusion Fundamentals conference series of the Saxon Academy of Sciences and Humanities.

Optimization of microclonal reproduction of potato wart cultivar-differentiators

Goal. To study the influence of ammonium salts of dihydropyrimidine to the formation of microtubers and the productivity of potato wart cultivator differentiators in vitro.
 Methods. The research was conducted in 2019—2020 in the Laboratory of Biotechnology for Agricultural Crops of Ukrainian Plant Quarantine Research Station Institute of Plant Protection of NAAS. Derivatives of ammonium salts of dihydropyrimidine were synthesized at the Department of Organic Chemistry Institute of Biology, Chemistry and Bioresources of Chernivtsi National University. The material for the research was potato wart cultivar-differentiators of different maturity groups Slovyanka (medium ripe), Chervona Ruta (medium late). The plants were grown on Murashige-Skuga nutrient medium with addition of ammonium salts of dihydropyrimidine at different concentrations (0.1; 0.2; 0.3 mg/l) in a cultivation room at 16-hour photoperiod with a light intensity of 2000—2500 lux, temperature 22—25°C and humidity of 60—80%.
 Results. It was determined that high morphometric parameters and intensity of tuber formation of different varieties of maturity Slavyanka and Chervona Ruta in vitro culture provides the addition to the nutrient medium of ammonium salts of dihydropyrimidine with a concentration of 0.3 mg/l: plant height was 4.6 and 4.1 cm compared with the control of 4.0 and 3.7 cm, respectively. The number of internodes in both varieties were 5.3 pieces (in control — 4.5 pcs.) and the optimal number of microtubers on the 60th day — 79.1 and 81.3%.
 Conclusions. The effect study of different concentrations of ammonium salts of dihydropyrimidine on the productivity of potatoes in vitro in different varieties of maturity Slavyanka and Chervona Ruta showed that the optimal performance provides cultivation at a concentration of ammonium salts of dihydropyrimidine 0.3 mg/l: weight of the average microtuber is 22 and 195.4 mg, the mass of microtubers per plant — 185.5 and 174.4 mg, the number of microtubers per plant — 1.01 and 0.87 pcs.

New award recognizes green chemistry advances from Asian CMOs

The ACS Green Chemistry Institute (GCI) Pharmaceutical Roundtable has launched a new award to encourage the adoption of more sustainable practices and recognize achievements in green chemistry applications at contract manufacturing organizations (CMOs) in Asia, where most of the world’s active pharmaceutical ingredients (APIs) are being produced. The CMO Excellence in Green Chemistry Award will recognize greener advances in synthetic route development for starting materials, intermediates, or APIs, including reaction conditions and chemical or manufacturing technologies. In addition, the ACS GCI Pharmaceutical Roundtable is seeking nominations for the Peter J. Dunn Award for Green Chemistry and Engineering Impact in the Pharmaceutical Industry. Applicants for both awards are being accepted through Dec. 31. A representative from the winning company or team for each award will be invited to present their innovations at the 26th Annual Green Chemistry and Engineering Conference in Reston, Virginia, June 6–8, where the awards will be given

Two new awards honor Nina McClelland

Two new awards are being launched in honor of the late Nina McClelland, one by the American Chemical Society Green Chemistry Institute (GCI) and one by the ACS Division of Business Development and Management (BMGT). McClelland was a former chair of the ACS Board of Directors and passed away in 2020. She was a long-time advocate for environmental standards and green chemistry and was instrumental in bringing the Green Chemistry Institute to the American Chemical Society in 2001. She later served on the institute’s governing board for many years. GCI’s Nina McClelland Memorial Award, made possible through a bequest from McClelland’s estate, will sponsor two postdoctoral scholars to travel and present their research at GCI’s Green Chemistry and Engineering Conference. Postdocs from anywhere in the world may apply for the $2,000 award. The deadline is Dec. 31. BMGT’s Dr. Nina I. McClelland Emerging Leader Award will recognize excellence in service

Making Sustainability Assessment Accessible: Tools Developed by the ACS Green Chemistry Institute Pharmaceutical Roundtable

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTMaking Sustainability Assessment Accessible: Tools Developed by the ACS Green Chemistry Institute Pharmaceutical RoundtableLouis J. DiorazioLouis J. DiorazioMore by Louis J. Diorazio, Paul RichardsonPaul RichardsonMore by Paul Richardsonhttps://orcid.org/0000-0002-3700-8749, Helen F. SneddonHelen F. SneddonMore by Helen F. Sneddon, Audrey MooresAudrey MooresMore by Audrey Mooreshttps://orcid.org/0000-0003-1259-913X, Christiana BriddellChristiana BriddellMore by Christiana Briddell, and Isamir MartinezIsamir MartinezMore by Isamir MartinezCite this: ACS Sustainable Chem. Eng. 2021, 9, 50, 16862–16864Publication Date (Web):December 20, 2021Publication History Received11 November 2021Published online20 December 2021Published inissue 20 December 2021https://doi.org/10.1021/acssuschemeng.1c07651Copyright © Published 2021 by American Chemical SocietyRIGHTS & PERMISSIONSArticle Views997Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (570 KB) Get e-AlertsSUBJECTS:Reagents,Green chemistry,Chemical engineering and industrial chemistry,Solvents,Pharmaceuticals Get e-Alerts

Manufacturing mass intensity: 15 ​Years of Process Mass Intensity and development of the metric into plant cleaning and beyond

The American Chemical Society Green Chemistry Institute (ACS GCI) Pharmaceutical Roundtable is committed to continue to expand and identify elements of small-molecule active pharmaceutical ingredient (API) manufacturing that should be quantified to drive towards more sustainable practices. Process mass intensity (PMI) has been used for over 15 years to evaluate and benchmark progress towards more sustainable manufacturing and quantifies process input mass (e.g. solvent, water, reagents) per mass of output produced. This manuscript introduces Manufacturing Mass Intensity (MMI), a metric that builds upon and expands the scope to account for other raw materials required for API manufacturing. Examples are included to illustrate how quantification of these additional resource requirements will drive more sustainable practices.

TWO-PARAMETRIC BEAM MODEL FOR DOSIMETRY OF THE PROCESS OF ELECTRON IRRADIATION OF MATERIALS WITH LOW DENSITY AND ATOMIC NUMBER

The work is devoted to studying the possibility of using a two-parametric model of an electron beam to describe the depth distributions of the electron dose in materials with a low density and an effective atomic number. In this model, the parameters are determined by fitting the semi-empirical model (PFSEM-method) to the results of meas-urements of the depth-dose distribution in a dosimetric wedge. The depth-dose distributions in a birchwood wedge were measured at the Institute of Nuclear Chemistry and Technology in Warsaw, Poland. The parameters of the electron beam incident on the wedge were determined by the PFSEM method. The Monte Carlo simulations of the depth-dose distribution in the wedge for the process of electron irradiation, the characteristics of which are deter-mined by the PFSEM method, have been carried out. It is shown that there is a satisfactory agreement between the measurement results and the Monte Carlo simulation of the depth-dose distribution. The advantages of describing depth-dose distributions in a wedge based on a two-parametric model of an electron beam in comparison with tradi-tional methods of polynomial approximation of measurement results are discussed.

Novel versatile synthesis method for amides, carbamates and ureas employing a Grignard base, an amine and an ester

Methods for the synthesis of amides are extremely important given huge prevalence of this functional group in biological systems, as well as in the pharmaceutical industry. The ACS Green Chemistry Institute Pharmaceutical Roundtable have identified the amide bond formation as one of the most important reactions used in industry for which better reagents are required. We have developed a mild method using simple esters and amines with a Grignard reagent to synthesise, amides, carbamates and ureas (symmetrical and unsymmetrical). The method is significant in its simplicity, wide scope and the molecules that can be accessed.

Newly elected Chinese Academy of Sciences academicians in chemistry division in 2021

Newly elected Chinese Academy of Sciences academicians in chemistry division in 2021

The Scientific and Managerial Ideas of Academician Gheorghe Duca Are Realized Successfully Because These Are Based on Knowledge

On March 3-4, 2022, the Society of Chemistry of the Republic of Moldova, the Institute of Chemistry, the Faculty of Chemistry and Chemical Technology of the State University of Moldova intends to organize the VII International Conference EEC-2022, dedicated to the 70th anniversary from the birthday of the illustrious scientist Gheorghe Duca. The current jubilee is an occasion to pay a beautiful homage and gratitude to this tireless researcher and organizer of science, whose activity is a worthy example to follow of serving the nation and the land.

Long-term stability of Cd(0001) single crystal | ionic liquid interface – The effect of I− addition

• The interface between Cd(0001) and EMImBF 4 mixtures with EMImI was investigated. • Studied interface was unstable in long-scale time conditions. • The addition of I − contributed to the corrosion of the Cd(0001) surface. • Institute of Chemistry, University of Tartu, Ravila 14A, 50,411 Tartu, Estonia. In this study, the capacitive behaviour and stability of the interface between Cd(0001) electrode and 1-ethyl-3-methylimidazolium tetrafluoroborate (EMImBF 4 ) mixtures with 0 wt%, 5 wt%, or 10 wt% 1-ethyl-3-methylimidazolium iodide (EMImI) addition have been investigated by using electrochemical impedance spectroscopy, cyclic voltammetry, and scanning tunnelling microscopy. It is shown that the reversible adsorption of I − ion significantly increased the capacitance in comparison with EMImBF 4 . Concurrently, the addition of I − ion contributed to the corrosion of the Cd(0001) surface, which was shown by the increase of capacitance and surface roughness over 72 h after electrochemical polishing.

Influence of composition species of green manure crops on soil fertility

The selection of green manure crops for the zones with insufficient and unstable moisture is an urgent issue of agriculture. The purpose of the work is to establish the influence of the species composition of green manure on soil fertility. The research on southern low-humus chernozem was conducted in FSBI “Research institute of agricultural chemistry” in 2016-2019. The climate of the area is continental, semi-arid. The average annual air temperature is 10.8°C, the amount of precipitation is 428 mm. Conducting the experiment, statistical processing of data was performed according to B.A. Dospekhov. Layout of the variants - systematic, repetition is three times. The area of the plots is 720 m2. The subject of the research is agrocenoses of green manure crops. The object of the study is the soil fertility change processes. Agrocenoses of winter rye and triticale, melilot and sainfoin ensured the highest dry matter yield (6-6.3 t/ha). The maximum entry of organic matter into the soil occurred when using agrocenoses of winter rye - 5.88 t/ha and triticale - 5.72 t/ha. Mixture of crops on the entry of organic matter into the soil was inferior to rye and triticale, but outperformed vetch by 17.9%. The greatest amount of nitrogen was contained in the biomass of melilot and Sainfoin - 156 and 142 kg/ha, and in the mixture of winter crops - 108 kg/ha of nitrogen. The mixture combined the positive properties of its constituent crops: high and stable yield of dry and organic matter, nitrogen, phosphorus and potassium. Due to mineralization of the organic matter of green manure crops, there was an increase in nitrate nitrogen in the arable horizon from 1.0-2.4 to 12.0-22.8 mg/kg of soil.

Indium Extraction from Sulfuric Acid Solutions in Systems with Poly(2-ethylhexyl)-phosphonitrile Acid

Indium (III) extraction with poly(2-ethylhexyl)phosphonitrile acid (P2EHPNA, HX), di-(2-ethylhexyl)phosphoric acid (D2EHPA), as well as their mixtures with trialkylbenzylammonium chloride (TABAC) from sulfuric acid and zinc sulfate solutions in kerosene was studied. It has been shown that in a wide range of acidity (0.5–2.5 M H2SO4), the extraction capacity of P2EHPNA is much higher than that of D2EHPA. A significant increase in the extraction ability is explained by the absence of cyclic dimerization, characteristic of D2EHPA. Indium extraction decreases with an increase in the acidity of the aqueous solution. It was assumed that indium is extracted into the organic phase by a cation exchange mechanism with the formation of complexes InX3(HX)3n–3 and InX3(HX)2n–3, where HX is the monomer group of the extractant, and n = 2÷4. The introduction of TABAC into the organic phase containing P2EHPNA and D2EHPA leads to a strong decrease in the extraction ability of the reagents. The isotherm with 0.3 mol/dm3 of P2EHFNA in kerosene has a steep character. This makes it possible to extract almost completely (> 99%) in 1–2 steps with indium content of 0.5 g/dm3 in the initial solution. Since the stripping of In with mineral acids from P2EHPNA is impossible, its stripping was carried out with alkaline solutions of a complexing agent (polyhydric alcohol – sorbitol). It was shown that the degree of stripping with sorbitol solutions (2.0 M NaOH + 2.0 M sorbitol) is about 100% already in 3 minutes of phase contact. It has also been shown that when P2EHPNA in kerosene is used, not only almost complete strippig of indium with sorbitol solutions takes place, but also its noticeable concentration in re-extracts in one step (~ 35 g/dm3). At the same time, the phase separation was fast and high quality. It is obvious that the extraction systems with P2EHPNA is of interest for indium extraction from various technological solutions. This work was conducted within the framework of the budget project 0287-2021-0014 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of SB RAS.

Critical comparison of INAA and ICP-MS applied in the characterization of purity of TRISO fuel and substrates to its production

Abstract The application of inductively coupled plasma mass spectrometry (ICP-MS), both in solution and laser ablation (LA) mode, and instrumental neutron activation analysis (INAA) in the nuclear material analysis are presented in this paper. The possibility of each technique for the chemical characterization of substances used during TRISO fuel production and its advantages and limitations are discussed based on the obtained results of the analysis of real materials used in TRISO fuel production in the Institute of Nuclear Chemistry and Technology. The paper also reports the application of INAA and LA-ICP-MS to the verification of the purity of the protective layers of pyrolytic carbon (PyC) and silicon carbide.

Межгосударственный трансфер технологий по мирному использованию атома в 1950-1960-е гг. (на материалах Физико-химического института им. Л. Я. Карпова)

The aim of the study is to determine the ways, methods and directions of interstate technology transfer in the field of research on the peaceful use of atomic energy in the USSR in the 1950-1960s. The article considers the process of scientists’ interstate interaction in the field of the peaceful use of the atom on the basis of documents of the Union Leading Research Institute of Physics and Chemistry named after L. Ya. Karpov subordinate to the USSR Ministry of Chemical Industry. The scientific originality of the research consists in an integrated approach to the analysis of the interaction of political, scientific-organizational, production-technological, social, economic factors that determined technological transfer in the conditions of “competitive coexistence” of the USSR with the western (capitalist) world in the 1950-1960s. As a result of the research, the ways and practical results of the interstate transfer of technologies in the field of research and development on the peaceful use of atomic energy in the USSR in the 1950-1960s have been identified.

Incorporating Sulfur Atoms into Palladium Catalysts by Reactive Metal–Support Interaction for Selective Hydrogenation

Incorporating Sulfur Atoms into Palladium Catalysts by Reactive Metal–Support Interaction for Selective Hydrogenation