WorldWideScience

Sample records for sustainable chemical synthesis

  1. Flow Chemistry for Designing Sustainable Chemical Synthesis (journal article)

    Science.gov (United States)

    An efficiently designed continuous flow chemical process can lead to significant advantages in developing a sustainable chemical synthesis or process. These advantages are the direct result of being able to impart a higher degree of control on several key reactor and reaction par...

  2. Sustainability in the Design, Synthesis and Analysis of Chemical Engineering Processes 1st edition (Preface)

    Science.gov (United States)

    This book preface explains the needs found by the book editors for assembling the state of the art of technical and scientific knowledge relevant to chemical engineering, sustainability, and sustainable uses of wastes and materials management, and to do so in an accessible and c...

  3. Systematic methods for synthesis and design of sustainable chemical and biochemical processes

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    Chemical and biochemical process design consists of designing the process that can sustainably manufacture an identified chemical product through a chemical or biochemical route. The chemical product tree is potentially very large; starting from a set of basic raw materials (such as petroleum...... and related industries and their development is principally based on experiment-based trial and error approaches. At the lower-middle end, the chemical products usually from the oil, petrochemical and chemical industries and use of model based tools in their development is quite common. Using raw materials...

  4. Sustainability Assessment of Chemical Processes: Evaluation of Three Synthesis Routes of DMC

    Directory of Open Access Journals (Sweden)

    Paula Saavalainen

    2015-01-01

    Full Text Available This paper suggested multicriteria based evaluation tool to assess the sustainability of three different reaction routes to dimethyl carbonate: direct synthesis from carbon dioxide and methanol, transesterification of methanol and propylene carbonate, and oxidative carbonylation of methanol. The first two routes are CO2-based and in a research and development phase, whereas the last one is a commercial process. The set of environmental, social, and economic indicators selected were renewability of feedstock, energy intensity, waste generation, CO2 balance, yield, feedstock price, process costs, health and safety issues of feedstock, process conditions, and innovation potential. The performance in these indicators was evaluated with the normalized scores from 0 to +1; 0 for detrimental and 1 for favorable impacts. The assessment showed that the transesterification route had the best potential toward sustainability, although there is still much development needed to improve yield. Further, the assessment gave clear understanding of the main benefits of each reaction route, as well as the major challenges to sustainability, which can further aid in orienting development efforts to key issues that need improvement. Finally, it was concluded that a multicriteria analysis such as the one presented in this paper was a viable method to be used in the process design stage.

  5. Sustainable Process Synthesis-Intensification

    DEFF Research Database (Denmark)

    Babi, Deenesh Kavi

    in order to generate new and/or existing unit operations that are configured into flowsheet alternatives inclusive of hybrid/intensified unit operations. The flowsheet alternatives that satisfy the performance criteria and design targets, give innovative and more sustainable, non-trade off flowsheet...... materials (feedstock) and the use of sustainable technologies or processes which directly impacts and improves sustainability/LCA factors. Process intensification is a concept by which processes, whether conceptual or existing, can be designed or redesigned to achieve more efficient and sustainable designs....... Therefore sustainable process design can be achieved by performing process syn-thesis and process intensification together. The main contribution of this work is the development of a systematic computer-aided multi-scale, multi-level framework for performing process synthesis-intensification that aims...

  6. Sustainable Process Synthesis-Intensification

    DEFF Research Database (Denmark)

    Babi, Deenesh Kavi; Holtbruegge, Johannes; Lutze, Philip

    2014-01-01

    Sustainable process design can be achieved by performing process synthesis and process intensification together. This approach first defines a design target through a sustainability analysis and then finds design alternatives that match the target through process intensification. A systematic......, multi-stage framework for process synthesis- intensification that identifies more sustainable process designs has been developed. At stages 1-2, the working scale is at the level of unit operations, where a base case design is identified and analyzed with respect to sustainability metrics. At stages 3...... concepts and the framework are presented together with the results from a case study highlighting the application of the framework to the sustainable design of a production process for dimethyl carbonate....

  7. Green Chemistry for Chemical Synthesis

    National Research Council Canada - National Science Library

    Chao-Jun Li; Barry M. Trost

    2008-01-01

    Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize...

  8. Sustainability in Chemical Engineering Curriculum

    Science.gov (United States)

    Glassey, Jarka; Haile, Sue

    2012-01-01

    Purpose: The purpose of this paper is to describe a concentrated strategy to embed sustainability teaching into a (chemical) engineering undergraduate curriculum throughout the whole programme. Innovative teaching approaches in subject-specific context are described and their efficiency investigated. Design/methodology/approach: The activities in…

  9. Textiles and clothing sustainability sustainable textile chemical processes

    CERN Document Server

    2017-01-01

    This book highlights the challenges in sustainable wet processing of textiles, natural dyes, enzymatic textiles and sustainable textile finishes. Textile industry is known for its chemical processing issues and many NGO’s are behind the textile sector to streamline its chemical processing, which is the black face of clothing and fashion sector. Sustainable textile chemical processes are crucial for attaining sustainability in the clothing sector. Seven comprehensive chapters are aimed to highlight these issues in the book.

  10. Green chemistry for chemical synthesis

    Science.gov (United States)

    Li, Chao-Jun; Trost, Barry M.

    2008-01-01

    Green chemistry for chemical synthesis addresses our future challenges in working with chemical processes and products by inventing novel reactions that can maximize the desired products and minimize by-products, designing new synthetic schemes and apparati that can simplify operations in chemical productions, and seeking greener solvents that are inherently environmentally and ecologically benign. PMID:18768813

  11. Solid phase protein chemical synthesis.

    Science.gov (United States)

    Raibaut, Laurent; El Mahdi, Ouafâa; Melnyk, Oleg

    2015-01-01

    The chemical synthesis of peptides or small proteins is often an important step in many research projects and has stimulated the development of numerous chemical methodologies. The aim of this review is to give a substantial overview of the solid phase methods developed for the production or purification of polypeptides. The solid phase peptide synthesis (SPPS) technique has facilitated considerably the access to short peptides (peptides have stimulated the development of solid phase covalent or non-covalent capture purification methods. The power of the native chemical ligation (NCL) reaction for protein synthesis in aqueous solution has also been adapted to the solid phase by the combination of novel linker technologies, cysteine protection strategies and thioester or N,S-acyl shift thioester surrogate chemistries. This review details pioneering studies and the most recent publications related to the solid phase chemical synthesis of large peptides and proteins.

  12. Chemical Synthesis of Antimicrobial Peptides.

    Science.gov (United States)

    Münzker, Lena; Oddo, Alberto; Hansen, Paul R

    2017-01-01

    Solid-phase peptide synthesis (SPPS) is the method of choice for chemical synthesis of peptides. In this nonspecialist review, we describe commonly used resins, linkers, protecting groups, and coupling reagents in 9-fluorenylmethyloxycarbonyl (Fmoc) SPPS. Finally, a detailed protocol for manual Fmoc SPPS is presented.

  13. Chemical synthesis on SU-8

    DEFF Research Database (Denmark)

    Qvortrup, Katrine; Taveras, Kennedy; Thastrup, Ole

    2011-01-01

    In this paper we describe a highly effective surface modification of SU-8 microparticles, the attachment of appropriate linkers for solid-supported synthesis, and the successful chemical modification of these particles via controlled multi-step organic synthesis leading to molecules attached...

  14. Computer-Aided Sustainable Process Synthesis-Design and Analysis

    DEFF Research Database (Denmark)

    Kumar Tula, Anjan

    Process synthesis involves the investigation of chemical reactions needed to produce the desired product, selection of the separation techniques needed for downstream processing, as well as taking decisions on sequencing the involved separation operations. For an effective, efficient and flexible...... focuses on the development and application of a computer-aided framework for sustainable synthesis-design and analysis of process flowsheets by generating feasible alternatives covering the entire search space and includes analysis tools for sustainability, LCA and economics. The synthesis method is based...... on group contribution and a hybrid approach, where chemical process flowsheets are synthesized in the same way as atoms or groups of atoms are synthesized to form molecules in computer aided molecular design (CAMD) techniques. The building blocks in flowsheet synthesis problem are called as process...

  15. Sustainable DME synthesis-design with CO2 utilization

    DEFF Research Database (Denmark)

    Prasertsri, Weeranut; Frauzem, Rebecca; Suriyapraphadilok, Uthaiporn

    2016-01-01

    valuable chemical that can be produced via thermochemical CO2 conversion reactions. The aim of this study is to identify the most promising processing route for sustainable production of DME in terms of CO2 emission, economic indicators and sustainable indicators. The three processing routes are generated......: (A) dry reforming step, methanol synthesis step, and methanol dehydration step; (B) CO2 hydrogenation step followed by methanol dehydration step; and (C) dry reforming step followed by direct DME synthesis step. Starting with a base-case design, the process flow sheets for the three routes...

  16. Isolation, characterization and chemical synthesis

    African Journals Online (AJOL)

    The new toxin consists of 26 amino-acid residues and contains three disulfide bonds. The amino-acid sequence was determined by Edman analysis as CKGKGSOCSOTMYNCCRTGCLSGKCT where O = 4-trans-L-hydroxyproline. The sequence of new toxin was further verified by chemical synthesis and coelution studies ...

  17. Sustainable DME synthesis-design with CO2 utilization

    DEFF Research Database (Denmark)

    Prasertsri, Weeranut; Frauzem, Rebecca; Suriyapraphadilok, Uthaiporn

    Minimizing CO2 emission, while achieving economic feasibility in CO2 utilization for producing valuable chemicals is a challenging problem, as reported in recent studies.Due to its high Cetane number, clean-burning, and non-toxic, DME is a promising fuel alternative, and therefore, potentially...... valuable chemical that can be produced via thermochemical CO2 conversion reactions. The aim of this study is to identify the most promising processing route for sustainable production of DME in terms of CO2 emission, economic indicators and sustainable indicators. The three processing routes are generated......: (A) dry reforming step, methanol synthesis step, and methanoldehydration step; (B) CO2 hydrogenation step followed by methanol dehydration step;and (C) dry reforming step followed by direct DME synthesis step. Starting with a base-case design, the process flow sheets for the three routes are studied...

  18. Chemical Safety for Sustainability: Research Action Plan

    Science.gov (United States)

    The Strategic Research Action Plan for EPA’s Chemical Safety for Sustainability research program presents the purpose, design and themes of the Agency’s research efforts to ensure safety in the design, manufacture and use of existing and future chemicals.

  19. Development of Green and Sustainable Chemical Reactions

    DEFF Research Database (Denmark)

    Taarning, Esben

    Abstract This thesis entitled Development of Green and Sustainable Chemical Reactions is divided into six chapters involving topics and projects related to green and sustainable chemistry. The chapters can be read independently, however a few concepts and some background information is introduced...... in chapter one and two which can be helpful to know when reading the subsequent chapters. The first chapter is an introduction into the fundamentals of green and sustainable chemistry. The second chapter gives an overview of some of the most promising methods to produce value added chemicals from biomass...... and only leads to small amounts of waste formation due to the all-catalytic nature of the procedure. This chapter involves the use of transition metal catalysis as well as classic organic chemistry. In chapter four, supported gold nanoparticles are used as catalysts for the aerobic oxidation of primary...

  20. Standardized chemical synthesis of Pseudomonas aeruginosa pyocyanin

    Directory of Open Access Journals (Sweden)

    Rajkumar Cheluvappa

    2014-01-01

    As we have extracted pyocyanin both from P. aeruginosa cultures, and via chemical synthesis; we know the procedural and product-quality differences. We endorse the relative ease, safety, and convenience of using the chemical synthesis described here. Crucially, our “naturally endotoxin-free” pyocyanin can be extracted easily without using infectious bacteria.

  1. Synthesis and Design of a Sustainable CO2 Utilization Network

    DEFF Research Database (Denmark)

    Frauzem, Rebecca; Gani, Rafiqul

    In response to increasing regulations and concern about the impact of greenhouse gases on the environment, carbon dioxide (CO2) emissions are targeted for reduction. One method is the conversion of CO2 to useful compounds via chemical reactions. However, conversion is still in its infancy...... processing block. CO2 conversion processes show promise as an additional method for the sustainable reduction of CO2 emissions....... a superstructure-based approach a network of utilization alternatives is created linking CO2 and other raw materials with various products using processing blocks. This will then be optimized and verified for sustainability. Detailed design has also been performed for a case study on the methanol synthesis...

  2. Greener and Sustainable Trends in Synthesis of Organics and ...

    Science.gov (United States)

    Trends in greener and sustainable process development during the past 25 years are abridged involving the use of alternate energy inputs (mechanochemistry, ultrasound- or microwave irradiation), photochemistry, and greener reaction media as applied to synthesis of organics and nanomaterials. In the organic synthesis arena, examples comprise assembly of heterocyclic compounds, coupling and a variety of other name reactions catalyzed by basic water or recyclable magnetic nanocatalysts. Generation of nanoparticles benefits from the biomimetic approaches where vitamins, sugars, and plant polyphenols, including agricultural waste residues, can serve as reducing and capping agents. Metal nanocatalysts (Pd, Au, Ag, Ni, Ru, Ce, Cu, etc.) immobilized on biodegradable supports such as cellulose and chitosan, or on recyclable magnetic ferrites via ligands, namely dopamine or glutathione, are receiving special attention. These strategic approaches attempt to address most of the Green Chemistry Principles while producing functional chemicals with utmost level of waste minimization. Feature article for celebration of 25 years of Green Chemistry on invitation from American Chemical Society (ACS) journal, ACS Sustainable Chemistry & Engineering.

  3. Chemical Synthesis of Copper Nanoparticles

    OpenAIRE

    Hamid Reza Ghorbani

    2014-01-01

    Metal nanoparticles have attracted considerable interest particularly because of the size dependence of physical and chemical properties and its enormous technological potential. Among different metal nanoparticles, copper nanoparticles have attracted great attention because copper is one of the most key metals in new technology. Chemical methods are used to synthesize copper nanoparticles and among them chemical reduction is the most frequently applied method for the preparation of stable, c...

  4. Sustainable three-component synthesis of isothioureas from isocyanides, thiosulfonates, and amines.

    Science.gov (United States)

    Mampuys, Pieter; Zhu, Yanping; Vlaar, Tjøstil; Ruijter, Eelco; Orru, Romano V A; Maes, Bert U W

    2014-11-17

    Multiple applications of isothioureas as fine chemicals (or their precursors) are known, but a general sustainable method for their synthesis was hitherto unavailable. We report a novel general approach towards S-alkyl and S-aryl isothioureas through a copper(I)-catalyzed three-component reaction between amines, isocyanides, and thiosulfonates. The formal synthesis of a superpotent sweetener further illustrates the applicability of our method. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Green Toxicology: a strategy for sustainable chemical and material development.

    Science.gov (United States)

    Crawford, Sarah E; Hartung, Thomas; Hollert, Henner; Mathes, Björn; van Ravenzwaay, Bennard; Steger-Hartmann, Thomas; Studer, Christoph; Krug, Harald F

    2017-01-01

    Green Toxicology refers to the application of predictive toxicology in the sustainable development and production of new less harmful materials and chemicals, subsequently reducing waste and exposure. Built upon the foundation of "Green Chemistry" and "Green Engineering", "Green Toxicology" aims to shape future manufacturing processes and safe synthesis of chemicals in terms of environmental and human health impacts. Being an integral part of Green Chemistry, the principles of Green Toxicology amplify the role of health-related aspects for the benefit of consumers and the environment, in addition to being economical for manufacturing companies. Due to the costly development and preparation of new materials and chemicals for market entry, it is no longer practical to ignore the safety and environmental status of new products during product development stages. However, this is only possible if toxicologists and chemists work together early on in the development of materials and chemicals to utilize safe design strategies and innovative in vitro and in silico tools. This paper discusses some of the most relevant aspects, advances and limitations of the emergence of Green Toxicology from the perspective of different industry and research groups. The integration of new testing methods and strategies in product development, testing and regulation stages are presented with examples of the application of in silico, omics and in vitro methods. Other tools for Green Toxicology, including the reduction of animal testing, alternative test methods, and read-across approaches are also discussed.

  6. Design and chemical synthesis of eukaryotic chromosomes.

    Science.gov (United States)

    Xie, Ze-Xiong; Liu, Duo; Li, Bing-Zhi; Zhao, Meng; Zeng, Bo-Xuan; Wu, Yi; Shen, Yue; Lin, Tao; Yang, Ping; Dai, Junbiao; Cai, Yizhi; Yang, Huanming; Yuan, Ying-Jin

    2017-11-27

    Following the discovery of the DNA double helix structure and the advancement of genome sequencing, we have entered a promising stage with regard to genome writing. Recently, a milestone breakthrough was achieved in the chemical synthesis of designer yeast chromosomes. Here, we review the systematic approaches to the de novo synthesis of designer eukaryotic chromosomes, with an emphasis on technologies and methodologies that enable design, building, testing and debugging. The achievement of chemically synthesized genomes with customized genetic features offers an opportunity to rebuild genome organization, remold biological functions and promote life evolution, which will be of great benefit for application in medicine and industrial manufacturing.

  7. Chemical leasing in the context of sustainable chemistry.

    Science.gov (United States)

    Moser, Frank; Karavezyris, Vassilios; Blum, Christopher

    2015-05-01

    Chemical leasing is a new and innovative approach of selling chemicals. It aims at reducing the risks emanating from hazardous substances and ensuring long-term economic success within a global system of producing and using chemicals. This paper explores how, through chemical leasing, the consumption of chemicals, energy, resources and the generation of related wastes can be reduced. It also analyses the substitution of hazardous chemicals as a tool to protect environmental, health and safety and hence ensure compliance with sustainability criteria. For this, we are proposing an evaluation methodology that seeks to provide an answer to the following research questions: (1) Does the application of chemical leasing promote sustainability in comparison to an existing chemicals production and management system? 2. If various chemical leasing project types are envisaged, which is the most promising in terms of sustainability? The proposed methodology includes a number of basic goals and sub-goals to assess the sustainability for eight different chemical leasing case studies that have been implemented both at the local and the national levels. The assessment is limited to the relative assessment of specific case studies and allows the comparisons of different projects in terms of their relative contribution to sustainable chemistry. The findings of our assessment demonstrate that chemical leasing can be regarded as promoting sustainable chemistry in five case studies with certainty. However, on the grounds of our assessment, we cannot conclude with certainty that chemical leasing has equivalent contribution to sustainable chemistry in respect of three further case studies.

  8. A sustainable process for gram-scale synthesis of stereoselective ...

    Indian Academy of Sciences (India)

    RAJAN ABRAHAM

    2018-02-07

    Feb 7, 2018 ... Abstract. We have developed a new, simple and sustainable process for stereoselective synthesis of aryl substituted (E)-2-thiocyanatoacrylic acids by nucleophilic substitution and Knoevenagel condensation involving chloroacetic acid, ammonium thiocyanate and aromatic aldehydes at room temperature.

  9. Greener and Sustainable Trends in Synthesis of Organics and Nanomaterials

    Science.gov (United States)

    Trends in greener and sustainable process development during the past 25 years are abridged involving the use of alternate energy inputs (mechanochemistry, ultrasound- or microwave irradiation), photochemistry, and greener reaction media as applied to synthesis of organics and na...

  10. The Making of Sustainable Urban Development: A Synthesis Framework

    Directory of Open Access Journals (Sweden)

    Hui-Ting Tang

    2016-05-01

    Full Text Available In a time of rapid climate change and environmental degradation, planning and building an ecologically sustainable environment have become imperative. In particular, urban settlements, as a densely populated built environment, are the center of attention. This study aims to build a clear and concise synthesis of sustainable urban development not only to serve as an essential reference for decision and policy makers, but also encourage more strategically organized sustainability efforts. The extensive similarities between environmental planning and a policy-making/decision-making/problem-solving process will be carefully examined to confirm the fundamental need to build a synthesis. Major global urban sustainability rankings/standards will be presented, discussed, and integrated to produce a holistic synthesis with ten themes and three dimensions. The study will assemble disparate information across time, space, and disciplines to guide and to facilitate sustainable urban development in which both environmental concerns and human wellbeing are addressed.

  11. Chemical Safety for Sustainability Research Action Plan 2012-2016

    Science.gov (United States)

    EPA’s Chemical Safety for Sustainability (CSS) research program presents the purpose, design and themes of the Agency’s CSS research efforts to ensure safety in the design, manufacture and use of existing and future chemicals

  12. Hydroxyapatite, a biomaterial: Its chemical synthesis ...

    Indian Academy of Sciences (India)

    Hydroxyapatite, a biomaterial: Its chemical synthesis, characterization and study of biocompatibility prepared from shell of garden snail,. Helix aspersa. ANJUVAN SINGH. Department of Biotechnology and Biosciences, Lovely Professional University, Phagwara 144 411, India. MS received 10 February 2010; revised 20 July ...

  13. Speciality chemicals from synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Lin, J.J.; Knifton, J.F. (Shell Development Company, Houston, TX (USA))

    1992-04-01

    Texaco has undertaken research to investigate the use of carbon monoxide and hydrogen as building blocks for the manufacture of amidocarbonylation products. The amidocarbonylation reaction offers a convenient method to construct two functionalities - amido and carboxylate - simultaneously. Texaco has extended this chemistry to make a variety of speciality chemicals by tailoring cobalt catalysts. Products which have been made including: surface active agents such as the C{sub 14} - C{sub 16} alkyl amidoacids; surfactants; intermediates for sweeteners like aspartame; food additives like glutamic acid; and chelating agents such as polyamidoacids. 20 refs., 10 figs., 1 tab.

  14. Alternative Fuels and Chemicals From Synthesis Gas

    Energy Technology Data Exchange (ETDEWEB)

    none

    1998-07-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  15. Alternative fuels and chemicals from synthesis gas

    Energy Technology Data Exchange (ETDEWEB)

    Unknown

    1998-08-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  16. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    Energy Technology Data Exchange (ETDEWEB)

    Unknown

    1999-01-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  17. Chemical synthesis using synthetic biology.

    Science.gov (United States)

    Carothers, James M; Goler, Jonathan A; Keasling, Jay D

    2009-08-01

    An immense array of naturally occurring biological systems have evolved that convert simple substrates into the products that cells need for growth and persistence. Through the careful application of metabolic engineering and synthetic biology, this biotransformation potential can be harnessed to produce chemicals that address unmet clinical and industrial needs. Developing the capacity to utilize biology to perform chemistry is a matter of increasing control over both the function of synthetic biological systems and the engineering of those systems. Recent efforts have improved general techniques and yielded successes in the use of synthetic biology for the production of drugs, bulk chemicals, and fuels in microbial platform hosts. Synthetic promoter systems and novel RNA-based, or riboregulator, mechanisms give more control over gene expression. Improved methods for isolating, engineering, and evolving enzymes give more control over substrate and product specificity and better catalysis inside the cell. New computational tools and methods for high-throughput system assembly and analysis may lead to more rapid forward engineering. We highlight research that reduces reliance upon natural biological components and point to future work that may enable more rational design and assembly of synthetic biological systems for synthetic chemistry.

  18. Synthesis and Design of Biorefinery Processing Networks with Uncertainty and Sustainability analysis

    DEFF Research Database (Denmark)

    Cheali, Peam; Gernaey, Krist; Sin, Gürkan

    Chemical industries usually rely on fossil based feedstock, which is a limited resource. In view of increasing energy demands and the negative environmental and climate effects related to the use of fossil based fuels, this motivates the development of new and more sustainable technologies...... solution obtained after the MINLP by using an in-house software (SustainPRO) that employs ICHEME sustainability metrics. Secondly, the sustainability analysis was included proactively as part of the MINLP optimization problem that is performed to find the optimal processing path with respect to multi-criteria...... assessment including technical, economics and sustainability. The expanded database and superstructure with uncertainty and sustainability analysis form a powerful process synthesis toolbox to be used in design of future biorefineries with multi-criteria evaluation (technical and economic feasibility...

  19. Sustainable Production of Bio-Based Chemicals by Extremophiles

    NARCIS (Netherlands)

    Bosma, E.F.; Oost, van der J.; Vos, de W.M.; Kranenburg, van R.

    2013-01-01

    To improve microbial fermentation as an efficient way to sustainably produce green chemicals from renewable resources, novel production organisms are being explored. Extremophiles, in general, and moderate thermophiles in particular, offer important advantages over well-known mesophilic

  20. Sustainable Ammonia Synthesis – Exploring the scientific challenges associated with discovering alternative, sustainable processes for ammonia production

    Energy Technology Data Exchange (ETDEWEB)

    Nørskov, Jens [Stanford Univ., CA (United States); ; SLAC National Accelerator Lab., Menlo Park, CA (United States); Chen, Jingguang [Columbia Univ., New York, NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States); Miranda, Raul [Dept. of Energy (DOE), Washington DC (United States). Office of Science; Fitzsimmons, Tim [Dept. of Energy (DOE), Washington DC (United States). Office of Science; Stack, Robert [Dept. of Energy (DOE), Washington DC (United States). Office of Science

    2016-02-18

    Ammonia (NH3) is essential to all life on our planet. Until about 100 years ago, NH3 produced by reduction of dinitrogen (N2) in air came almost exclusively from bacteria containing the enzyme nitrogenase.. DOE convened a roundtable of experts on February 18, 2016. Participants in the Roundtable discussions concluded that the scientific basis for sustainable processes for ammonia synthesis is currently lacking, and it needs to be enhanced substantially before it can form the foundation for alternative processes. The Roundtable Panel identified an overarching grand challenge and several additional scientific grand challenges and research opportunities: -Discovery of active, selective, scalable, long-lived catalysts for sustainable ammonia synthesis. -Development of relatively low pressure (<10 atm) and relatively low temperature (<200 C) thermal processes. -Integration of knowledge from nature (enzyme catalysis), molecular/homogeneous and heterogeneous catalysis. -Development of electrochemical and photochemical routes for N2 reduction based on proton and electron transfer -Development of biochemical routes to N2 reduction -Development of chemical looping (solar thermochemical) approaches -Identification of descriptors of catalytic activity using a combination of theory and experiments -Characterization of surface adsorbates and catalyst structures (chemical, physical and electronic) under conditions relevant to ammonia synthesis.

  1. Mapping student thinking in chemical synthesis

    Science.gov (United States)

    Weinrich, Melissa

    In order to support the development of learning progressions about central ideas and practices in different disciplines, we need detailed analyses of the implicit assumptions and reasoning strategies that guide students' thinking at different educational levels. In the particular case of chemistry, understanding how new chemical substances are produced (chemical synthesis) is of critical importance. Thus, we have used a qualitative research approach based on individual interviews with first semester general chemistry students (n = 16), second semester organic chemistry students (n = 15), advanced undergraduates (n = 9), first year graduate students (n = 15), and PhD candidates (n = 16) to better characterize diverse students' underlying cognitive elements (conceptual modes and modes of reasoning) when thinking about chemical synthesis. Our results reveal a great variability in the cognitive resources and strategies used by students with different levels of training in the discipline to make decisions, particularly at intermediate levels of expertise. The specific nature of the task had a strong influence on the conceptual sophistication and mode of reasoning that students exhibited. Nevertheless, our data analysis has allowed us to identify common modes of reasoning and assumptions that seem to guide students' thinking at different educational levels. Our results should facilitate the development of learning progressions that help improve chemistry instruction, curriculum, and assessment.

  2. Methods and tools for sustainable chemical process design

    DEFF Research Database (Denmark)

    Loureiro da Costa Lira Gargalo, Carina; Chairakwongsa, Siwanat; Quaglia, Alberto

    2015-01-01

    As the pressure on chemical and biochemical processes to achieve a more sustainable performance increases, the need to define a systematic and holistic way to accomplish this is becoming more urgent. In this chapter, a multilevel computer-aided framework for systematic design of more sustainable...... chemical processes is presented. The framework allows the use of appropriate computer-aided methods and tools in a hierarchical manner according to a developed work flow for a multilevel criteria analysis that helps generate competing and more sustainable process design options. The application...

  3. An eco-sustainable green approach for the synthesis of ...

    Indian Academy of Sciences (India)

    sustainable green approach for the synthesis of propargylamines using LiOTf as a reusable catalyst under solvent-free condition. Someshwar D Dindulkar Baek Kwan Kwon Taek Lim Yeon Tae Jeong. Volume 125 Issue 1 January 2013 pp 101- ...

  4. An eco-sustainable green approach for the synthesis of ...

    Indian Academy of Sciences (India)

    An eco-sustainable green approach for the synthesis of propargylamines using LiOTf as a reusable catalyst under solvent-free condition. SOMESHWAR D DINDULKAR, BAEK KWAN, KWON TAEK LIM and YEON TAE JEONG. ∗. Department of Image Science and Engineering, Pukyong National University, Busan 608-739,.

  5. Sustainable Chemical Supply and Logistics Chains: The Path forward

    NARCIS (Netherlands)

    Browitt, P.; Andreesen, F.; Ploos van Amstel, W.; Schroeter, I.; Gasparic, C.

    2013-01-01

    Today, supply chain managers across the global chemical industry, while operating in a very difficult economic environment, need to respond to important sustainability challenges in the supply chain. Chemical production is shifting faster than expected from Europe to Asia, while shale gas is

  6. An Integrated, Multi-Stage, Multi-Scale Framework for Achieving Sustainable Process Synthesis-Intensification-Control

    DEFF Research Database (Denmark)

    Babi, Deenesh Kavi; Kumar Tula, Anjan; Mansouri, Seyed Soheil

    a major role because it provides the opportunity to perform the same tasks in a more sustainable way, new/novel unit operations can be generated (Lutze et al, 2013) and more sustainable processes can be designed (Babi et al., 2014). An integrated, multi-stage, multi-scale, computer-aided framework has...... is analysed using economic and sustainability analyses in order to identify process limitations (hot-spots) that are translated into intensification design targets. In stage 3, an integrated task-phenomena-based synthesis-intensification method is embedded and applied (Babi et al., 2015) that consists......The chemical and biochemical industry needs major reductions in energy consumption, waste generation, etc., in order to remain competitive through the design and operation of more sustainable chemical and biochemical processes. These required reductions can be addressed through process synthesis...

  7. Application of mechano-chemical synthesis for protective coating on ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 30; Issue 2. Application of mechano-chemical synthesis for protective coating on steel grinding media prior to ball milling of copper. Indranil Lahiri K Balasubramanian. Mechno-chemical Synthesis Volume 30 Issue 2 April 2007 pp 157-161 ...

  8. Silicon carbonitride nanolayers - Synthesis and chemical characterization

    Energy Technology Data Exchange (ETDEWEB)

    Hoffmann, P.S., E-mail: dg7j@ca.tu-darmstadt.de [Technische Universitaet Darmstadt, Materials Science, Petersenstr. 23, 64287 Darmstadt (Germany); Fainer, N.I. [Nikolaev Institute of Inorganic Chemistry, SB RAS, Acad. Lavrentjev Pr. 3, Novosibirsk 630090 (Russian Federation); Baake, O. [Technische Universitaet Darmstadt, Materials Science, Petersenstr. 23, 64287 Darmstadt (Germany); Kosinova, M.L.; Rumyantsev, Y.M.; Trunova, V.A. [Nikolaev Institute of Inorganic Chemistry, SB RAS, Acad. Lavrentjev Pr. 3, Novosibirsk 630090 (Russian Federation); Klein, A. [Technische Universitaet Darmstadt, Materials Science, Petersenstr. 23, 64287 Darmstadt (Germany); Pollakowski, B.; Beckhoff, B. [Physikalisch-Technische Bundesanstalt, Abbestr. 2-12, 10587 Berlin (Germany); Ensinger, W. [Technische Universitaet Darmstadt, Materials Science, Petersenstr. 23, 64287 Darmstadt (Germany)

    2012-07-01

    SiC{sub x}N{sub y} thin films were produced by plasma-enhanced chemical vapor deposition and characterized by ellipsometry, Fourier transform infrared and Raman spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, as well as, by near-edge X-ray absorption fine structure measurements in total-reflection X-ray fluorescence geometry. The temperature of synthesis was varied between 100 Degree-Sign C and 800 Degree-Sign C, the precursors hexamethyldisilazane or hexamethylcyclotrisilazane were used with an addition of N{sub 2}, He, and NH{sub 3}, respectively. The composition of the products was determined to be constant in Si with about 20 at.%, whereas the sum of C and N results in 80 at.% (each varying between 20 and 60 at.%). Consequently, it can be stated, that in the produced silicon carbonitride a network of Si is built with Si-C-Si, Si-C-C-Si, and Si-N-Si bridges. The comparison of the chemical composition and of the physical properties shows for the samples produced with He or N{sub 2}, respectively (without NH{sub 3}) that the refractive index and the absorption coefficient are increasing with an increasing content of carbon in the final formula SiC{sub 4-n}N{sub n} (with n = 1, 2, or 3). - Highlights: Black-Right-Pointing-Pointer Silicon carbonitride nanolayers were produced by chemical vapor deposition. Black-Right-Pointing-Pointer The chemical bonds Si-C, Si-N, and C-C were identified. Black-Right-Pointing-Pointer The tetragonal structure contains cross-linking Si-C-Si, Si-N-Si, and Si-C-C-Si. Black-Right-Pointing-Pointer The elemental composition can be given as SiC{sub 4-n}N{sub n} (n = 1, 2, 3)

  9. Earthworm Is a Versatile and Sustainable Biocatalyst for Organic Synthesis

    Science.gov (United States)

    Guan, Zhi; Chen, Yan-Li; Yuan, Yi; Song, Jian; Yang, Da-Cheng; Xue, Yang; He, Yan-Hong

    2014-01-01

    A crude extract of earthworms was used as an eco-friendly, environmentally benign, and easily accessible biocatalyst for various organic synthesis including the asymmetric direct aldol and Mannich reactions, Henry and Biginelli reactions, direct three-component aza-Diels-Alder reactions for the synthesis of isoquinuclidines, and domino reactions for the synthesis of coumarins. Most of these reactions have never before seen in nature, and moderate to good enantioselectivities in aldol and Mannich reactions were obtained with this earthworm catalyst. The products can be obtained in preparatively useful yields, and the procedure does not require any additional cofactors or special equipment. This work provides an example of a practical way to use sustainable catalysts from nature. PMID:25148527

  10. Recent Developments in Chemical Synthesis with Biocatalysts in Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Mahesh K. Potdar

    2015-09-01

    Full Text Available Over the past decade, a variety of ionic liquids have emerged as greener solvents for use in the chemical manufacturing industries. Their unique properties have attracted the interest of chemists worldwide to employ them as replacement for conventional solvents in a diverse range of chemical transformations including biotransformations. Biocatalysts are often regarded as green catalysts compared to conventional chemical catalysts in organic synthesis owing to their properties of low toxicity, biodegradability, excellent selectivity and good catalytic performance under mild reaction conditions. Similarly, a selected number of specific ionic liquids can be considered as greener solvents superior to organic solvents owing to their negligible vapor pressure, low flammability, low toxicity and ability to dissolve a wide range of organic and biological substances, including proteins. A combination of biocatalysts and ionic liquids thus appears to be a logical and promising opportunity for industrial use as an alternative to conventional organic chemistry processes employing organic solvents. This article provides an overview of recent developments in this field with special emphasis on the application of more sustainable enzyme-catalyzed reactions and separation processes employing ionic liquids, driven by advances in fundamental knowledge, process optimization and industrial deployment.

  11. Sustainability of biofuels and renewable chemicals production from biomass.

    Science.gov (United States)

    Kircher, Manfred

    2015-12-01

    In the sectors of biofuel and renewable chemicals the big feedstock demand asks, first, to expand the spectrum of carbon sources beyond primary biomass, second, to establish circular processing chains and, third, to prioritize product sectors exclusively depending on carbon: chemicals and heavy-duty fuels. Large-volume production lines will reduce greenhouse gas (GHG) emission significantly but also low-volume chemicals are indispensable in building 'low-carbon' industries. The foreseeable feedstock change initiates innovation, securing societal wealth in the industrialized world and creating employment in regions producing biomass. When raising the investments in rerouting to sustainable biofuel and chemicals today competitiveness with fossil-based fuel and chemicals is a strong issue. Many countries adopted comprehensive bioeconomy strategies to tackle this challenge. These public actions are mostly biased to biofuel but should give well-balanced attention to renewable chemicals as well. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Require safer substitutes and solutions: making the substitution principle the cornerstone of sustainable chemical policies.

    Science.gov (United States)

    Thorpe, Beverley; Rossi, Mark

    2007-01-01

    Currently, chemical regulations in the United States do not prioritize the production and use of inherently safe chemicals. At present, when regulations get passed to target a chemical for control, safer substitutes are not the goal nor are there specific guidelines or tools used to achieve Green Chemistry, Clean Production, or sustainable product design. In most cases, the replacement is often just as hazardous or simply a reduction of the quantity or concentration of the toxic substance that has been targeted. In contrast, by placing the Substitution Principle at the heart of new chemical policies and regulations, hazardous chemicals would be replaced with less hazardous alternatives or preferably alternatives for which no hazards can be identified. This would hasten the uptake of Green Chemistry, or environmentally benign chemical synthesis. Substituting hazardous chemicals goes beyond finding a drop-in chemical alternative and can include systems, materials or process changes. Regulatory drivers include a clear timeline for phase out of priority chemicals based on their inherent hazard, mandatory substitution planning for hazardous chemicals, financial and technical support for companies to find safer materials, and increased funding for green chemistry development and uptake by companies.

  13. Multi-scale modeling for sustainable chemical production

    DEFF Research Database (Denmark)

    Zhuang, Kai; Bakshi, Bhavik R.; Herrgard, Markus

    2013-01-01

    associated with the development and implementation of a su stainable biochemical industry. The temporal and spatial scales of modeling approaches for sustainable chemical production vary greatly, ranging from metabolic models that aid the design of fermentative microbial strains to material and monetary flow......, chemical industry, economy, and ecosystem. In addition, we propose a multi-scale approach for integrating the existing models into a cohesive framework. The major benefit of this proposed framework is that the design and decision-making at each scale can be informed, guided, and constrained by simulations...... and predictions at every other scale. In addition, the development of this multi-scale framework would promote cohesive collaborations across multiple traditionally disconnected modeling disciplines to achieve sustainable chemical production....

  14. Artificial photosynthesis for sustainable fuel and chemical production.

    Science.gov (United States)

    Kim, Dohyung; Sakimoto, Kelsey K; Hong, Dachao; Yang, Peidong

    2015-03-09

    The apparent incongruity between the increasing consumption of fuels and chemicals and the finite amount of resources has led us to seek means to maintain the sustainability of our society. Artificial photosynthesis, which utilizes sunlight to create high-value chemicals from abundant resources, is considered as the most promising and viable method. This Minireview describes the progress and challenges in the field of artificial photosynthesis in terms of its key components: developments in photoelectrochemical water splitting and recent progress in electrochemical CO2 reduction. Advances in catalysis, concerning the use of renewable hydrogen as a feedstock for major chemical production, are outlined to shed light on the ultimate role of artificial photosynthesis in achieving sustainable chemistry. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. ZEBRAFISH AS AN IN VIVO MODEL FOR SUSTAINABLE CHEMICAL DESIGN.

    Science.gov (United States)

    Noyes, Pamela D; Garcia, Gloria R; Tanguay, Robert L

    2016-12-21

    Heightened public awareness about the many thousands of chemicals in use and present as persistent contaminants in the environment has increased the demand for safer chemicals and more rigorous toxicity testing. There is a growing recognition that the use of traditional test models and empirical approaches is impractical for screening for toxicity the many thousands of chemicals in the environment and the hundreds of new chemistries introduced each year. These realities coupled with the green chemistry movement have prompted efforts to implement more predictive-based approaches to evaluate chemical toxicity early in product development. While used for many years in environmental toxicology and biomedicine, zebrafish use has accelerated more recently in genetic toxicology, high throughput screening (HTS), and behavioral testing. This review describes major advances in these testing methods that have positioned the zebrafish as a highly applicable model in chemical safety evaluations and sustainable chemistry efforts. Many toxic responses have been shown to be shared among fish and mammals owing to their generally well-conserved development, cellular networks, and organ systems. These shared responses have been observed for chemicals that impair endocrine functioning, development, and reproduction, as well as those that elicit cardiotoxicity and carcinogenicity, among other diseases. HTS technologies with zebrafish enable screening large chemical libraries for bioactivity that provide opportunities for testing early in product development. A compelling attribute of the zebrafish centers on being able to characterize toxicity mechanisms across multiple levels of biological organization from the genome to receptor interactions and cellular processes leading to phenotypic changes such as developmental malformations. Finally, there is a growing recognition of the links between human and wildlife health and the need for approaches that allow for assessment of real world

  16. Recent Progress in Chemical and Chemoenzymatic Synthesis of Carbohydrates

    Science.gov (United States)

    Muthana, Saddam; Cao, Hongzhi; Chen, Xi

    2011-01-01

    Summary The important roles that carbohydrates play in biological processes and their potential application in diagnosis, therapeutics, and vaccine development have made them attractive synthetic targets. Despite ongoing challenges, tremendous progresses have been made in recent years for the synthesis of carbohydrates. The chemical glycosylation methods have become more sophisticated and the synthesis of oligosaccharides has become more predictable. Simplified one-pot glycosylation strategy and automated synthesis are increasingly used to obtain biologically important glycans. On the other hand, chemoenzymatic synthesis continues to be a powerful alternative for obtaining complex carbohydrates. This review highlights recent progress in chemical and chemoenzymatic synthesis of carbohydrates with a particular focus on the methods developed for the synthesis of oligosaccharides, polysaccharides, glycolipids, and glycosylated natural products. PMID:19833544

  17. Multi-scale modeling for sustainable chemical production.

    Science.gov (United States)

    Zhuang, Kai; Bakshi, Bhavik R; Herrgård, Markus J

    2013-09-01

    With recent advances in metabolic engineering, it is now technically possible to produce a wide portfolio of existing petrochemical products from biomass feedstock. In recent years, a number of modeling approaches have been developed to support the engineering and decision-making processes associated with the development and implementation of a sustainable biochemical industry. The temporal and spatial scales of modeling approaches for sustainable chemical production vary greatly, ranging from metabolic models that aid the design of fermentative microbial strains to material and monetary flow models that explore the ecological impacts of all economic activities. Research efforts that attempt to connect the models at different scales have been limited. Here, we review a number of existing modeling approaches and their applications at the scales of metabolism, bioreactor, overall process, chemical industry, economy, and ecosystem. In addition, we propose a multi-scale approach for integrating the existing models into a cohesive framework. The major benefit of this proposed framework is that the design and decision-making at each scale can be informed, guided, and constrained by simulations and predictions at every other scale. In addition, the development of this multi-scale framework would promote cohesive collaborations across multiple traditionally disconnected modeling disciplines to achieve sustainable chemical production. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Design, synthesis and physico-chemical investigation of a dinuclear ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 113; Issue 4. Design, synthesis and physico-chemical investigation of a dinuclear zinc(II) complex with a novel 'end-off' compartmental ligand. Anil D Naik Vidyanand K Revankar. Inorganic Volume 113 Issue 4 August 2001 pp 285-290 ...

  19. Electrocarboxylation: towards sustainable and efficient synthesis of valuable carboxylic acids

    Directory of Open Access Journals (Sweden)

    Roman Matthessen

    2014-10-01

    Full Text Available The near-unlimited availability of CO2 has stimulated a growing research effort in creating value-added products from this greenhouse gas. This paper presents the trends on the most important methods used in the electrochemical synthesis of carboxylic acids from carbon dioxide. An overview is given of different substrate groups which form carboxylic acids upon CO2 fixation, including mechanistic considerations. While most work focuses on the electrocarboxylation of substrates with sacrificial anodes, this review considers the possibilities and challenges of implementing other synthetic methodologies. In view of potential industrial application, the choice of reactor setup, electrode type and reaction pathway has a large influence on the sustainability and efficiency of the process.

  20. Postligation-desulfurization: a general approach for chemical protein synthesis.

    Science.gov (United States)

    Ma, Jimei; Zeng, Jing; Wan, Qian

    2015-01-01

    Native chemical ligation, involving regioselective and chemoselective coupling of two unprotected peptide segments, enabled the synthesis of polypeptide with more than 200 amino acids. However, cysteine was indispensable in this synthetic technique in its initial format, which limited its further application. Thus, considerable effort has been put into breaking the restriction of cysteine-containing ligation. As a consequence, postligation-desulfurization, concerning thiol-mediated ligation followed by desulfurization, was developed. This review describes the development and recent progress on the chemical synthesis of peptides and proteins encompassing postligation-desulfurization at alanine, valine, lysine, threonine, leucine, proline, arginine, aspartic acid, glutamate, phenylalanine, glutamine, and tryptophan.

  1. Greening the Processes of Metal-Organic Framework Synthesis and their Use in Sustainable Catalysis.

    Science.gov (United States)

    Chen, Junying; Shen, Kui; Li, Yingwei

    2017-08-24

    Given the shortage of sustainable resources and the increasingly serious environmental issues in recent decades, the demand for clean technologies and sustainable feedstocks is of great interest to researchers worldwide. With regard to the fields of energy saving and environmental remediation, the key point is the development of efficient catalysts, not only in terms of facile synthesis methods, but also the benign utilization of such catalysts. This work reviews the use of metal-organic frameworks (MOFs) and MOF-based materials in these fields. The definition of MOFs and MOF-based materials will be primarily introduced followed by a brief description of the characterization and stability of MOF-related materials under the applied conditions. The greening of MOF synthesis processes will then be discussed and catalogued by benign solvents and conditions and green precursors of MOFs. Furthermore, their suitable application in sustainable catalysis will be summarized, focusing on several typical atom-economic reactions, such as the direct introduction of H 2 or O 2 and C-C bond formation. Approaches towards reducing CO 2 emission by MOF-based catalysts will be described with special emphasis on CO 2 fixation and CO 2 reduction. In addition, driven by the explosive growth of energy consumption in the last century, much research has gone into biomass, which represents a renewable alternative to fossil fuels and a sustainable carbon feedstock for chemical production. The advanced progress of biomass-related transformations is also illustrated herein. Fundamental insights into the nature of MOF-based materials as constitutionally easily recoverable heterogeneous catalysts and as supports for various active sites is thoroughly discussed. Finally, challenges facing the development of this field and the outlook for future research are presented. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Ion-exchange membranes in chemical synthesis – a review

    Directory of Open Access Journals (Sweden)

    Jaroszek Hanna

    2016-01-01

    Full Text Available The applicability of ion-exchange membranes (IEMs in chemical synthesis was discussed based on the existing literature. At first, a brief description of properties and structures of commercially available ion-exchange membranes was provided. Then, the IEM-based synthesis methods reported in the literature were summarized, and areas of their application were discussed. The methods in question, namely: membrane electrolysis, electro-electrodialysis, electrodialysis metathesis, ion-substitution electrodialysis and electrodialysis with bipolar membrane, were found to be applicable for a number of organic and inorganic syntheses and acid/base production or recovery processes, which can be conducted in aqueous and non-aqueous solvents. The number and the quality of the scientific reports found indicate a great potential for IEMs in chemical synthesis.

  3. Why microfluidics? Merits and trends in chemical synthesis.

    Science.gov (United States)

    Liu, Yong; Jiang, Xingyu

    2017-11-21

    The intrinsic limitations of conventional batch synthesis have hindered its applications in both solving classical problems and exploiting new frontiers. Microfluidic technology offers a new platform for chemical synthesis toward either molecules or materials, which has promoted the progress of diverse fields such as organic chemistry, materials science, and biomedicine. In this review, we focus on the improved performance of microreactors in handling various situations, and outline the trend of microfluidic synthesis (microsynthesis, μSyn) from simple microreactors to integrated microsystems. Examples of synthesizing both chemical compounds and micro/nanomaterials show the flexible applications of this approach. We aim to provide strategic guidance for the rational design, fabrication, and integration of microdevices for synthetic use. We critically evaluate the existing challenges and future opportunities associated with this burgeoning field.

  4. Synthesis, quantum chemical computations and x-ray ...

    African Journals Online (AJOL)

    Benyza N

    2017-05-01

    May 1, 2017 ... Journal of Fundamental and Applied Sciences is licensed under a Creative Commons Attribution-NonCommercial 4.0. International License. Libraries Resource Directory. We are listed under Research Associations category. SYNTHESIS, QUANTUM CHEMICAL COMPUTATIONS AND X-RAY.

  5. Synthesis, quantum chemical computations and x-ray ...

    African Journals Online (AJOL)

    Benyza N

    2017-05-01

    May 1, 2017 ... The ligand oxime, C7H9N5O2, was Synthesis and characterises with different characterization methods such ... e.g. preparation of nickel (II) dimethylglyoximato and recognition of the chelate five-membered ... quantuim chemical computations of the geometrical parameters of our compound and compared ...

  6. DNA and RNA induced enantioselectivity in chemical synthesis

    NARCIS (Netherlands)

    Roelfes, Gerard

    One of the hallmarks of DNA and RNA structures is their elegant chirality. Using these chiral structures to induce enantioselectivity in chemical synthesis is as enticing as it is challenging. In recent years, three general approaches have been developed to achieve this, including chirality transfer

  7. Application of mechano-chemical synthesis for protective coating on ...

    Indian Academy of Sciences (India)

    TECS

    study that the change in reaction rate is controlled by strain accumulation in the material during mechanical alloying. In the present study, the feasibility of engineering the surfaces of the balls and vials has been explored using mechano-chemical synthesis. Specifically, a coating of Cu is produced on the balls and vials, ...

  8. Wet chemical synthesis of soluble gold nanogaps

    DEFF Research Database (Denmark)

    Jain, Titoo; Tang, Qingxin; Bjørnholm, Thomas

    2014-01-01

    in the nanogaps lets us spectroscopically characterize the molecules via surface-enhanced Raman scattering. We discuss the incorporation of oligopeptides functionalized with acetylene units having uniquely identifiable vibrational modes. This acetylene moiety allows chemical reactions to be performed in the gaps...... via click chemistry, and the oligopeptide linking platform opens for integration of larger biological components....

  9. Hydroxyapatite, a biomaterial: Its chemical synthesis ...

    Indian Academy of Sciences (India)

    The surface area and particle size of HAP powder prepared by chemical precipitation route, were also determined by BET and Malvern particle size analyser, respectively. The synthesized powder was soaked in stimulated body fluid (SBF) medium for various periods of time in order to evaluate its bioactivity. The changes of ...

  10. Synthesis, mechanical, thermal and chemical properties of ...

    Indian Academy of Sciences (India)

    Unknown

    Department of Chemistry, Manonmaniam Sundaranar University, Abishekapatti, Tirunelveli 627 012, India. MS received 28 August 2003; ... thanes were characterized with respect to their resistance to chemical reagents and mechanical properties such as tensile strength, ..... Recent advances (ed.) I S. Bhardwajj (New ...

  11. Sustainable Utility of Magnetically Recyclable Nano-Catalysts in Water: Applications in Organic Synthesis

    Directory of Open Access Journals (Sweden)

    Manoj B. Gawande

    2013-10-01

    Full Text Available Magnetically recyclable nano-catalysts and their use in aqueous media is a perfect combination for the development of greener sustainable methodologies in organic synthesis. It is well established that magnetically separable nano-catalysts avoid waste of catalysts or reagents and it is possible to recover >95% of catalysts, which is again recyclable for subsequent use. Water is the ideal medium to perform the chemical reactions with magnetically recyclable nano-catalysts, as this combination adds tremendous value to the overall benign reaction process development. In this review, we highlight recent developments inthe use of water and magnetically recyclable nano-catalysts (W-MRNs for a variety of organic reactions namely hydrogenation, condensation, oxidation, and Suzuki–Miyaura cross-coupling reactions, among others.

  12. Controlled Chemical Synthesis in CVD Graphene

    Science.gov (United States)

    Liu, Hongtao; Liu, Yunqi

    2017-04-01

    Due to the unique properties of graphene, single layer, bilayer or even few layer graphene peeled off from bulk graphite cannot meet the need of practical applications. Large size graphene with quality comparable to mechanically exfoliated graphene has been synthesized by chemical vapor deposition (CVD). The main development and the key issues in controllable chemical vapor deposition of graphene has been briefly discussed in this chapter. Various strategies for graphene layer number and stacking control, large size single crystal graphene domains on copper, graphene direct growth on dielectric substrates, and doping of graphene have been demonstrated. The methods summarized here will provide guidance on how to synthesize other two-dimensional materials beyond graphene.

  13. Synthesis of Ethyl Salicylate Using Household Chemicals

    Science.gov (United States)

    Solomon, Sally; Hur, Chinhyu; Lee, Alan; Smith, Kurt

    1996-02-01

    Ethyl salicylate is synthesized, isolated, and characterized in a three-step process using simple equipment and household chemicals. First, acetylsalicylic acid is extracted from aspirin tablets with isopropyl alcohol, then hydrolyzed to salicylic acid with muriatic acid, and finally, the salicylic acid is esterified using ethanol and a boric acid catalyst. The experiment can be directed towards high school or university level students who have sufficient background in organic chemistry to recognize the structures and reactions that are involved.

  14. Chemical Synthesis of PEDOT–Au Nanocomposite

    Directory of Open Access Journals (Sweden)

    Selvaganesh S

    2007-01-01

    Full Text Available AbstractIn this work, gold-incorporated polyethylenedioxythiophene nanocomposite material has been synthesized chemically, employing reverse emulsion polymerization method. Infrared and Raman spectroscopic studies revealed that the polymerization of ethylenedioxythiophene leads to the formation of polymer polyethylenedioxythiophene incorporating gold nanoparticles. Scanning electron microscope studies showed the formation of polymer nanorods of 50–100 nm diameter and the X-ray diffraction analysis clearly indicates the presence of gold nanoparticles of 50 nm in size.

  15. The effect of chemical additives on the synthesis of ethanol

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.

    1990-04-09

    The objective of this research is to elucidate the role of various chemical additives on ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used for this study will include S, P, Ag, Cu, Mn, and Na which have different electronegativities. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of experimental studies of NO adsorption, reaction probing, study state rate measurement, and transient kinetic study. A better understanding of the role of additive on the synthesis reaction may allow us to use chemical additives to manipulate the catalytic properties of Rh- and Ni-based catalysts for producing high yields of ethanol from syngas.

  16. Physical-chemical pretreatment as an option for increased sustainability of municipal wastewater treatment plants

    NARCIS (Netherlands)

    Mels, A.

    2001-01-01

    Keywords : municipal wastewater treatment, physical-chemical pretreatment, chemically enhanced primary treatment, organic polymers, environmental sustainability

    Most of the currently applied municipal wastewater treatment plants in The Netherlands are

  17. Anthropogenic chemical carbon cycle for a sustainable future.

    Science.gov (United States)

    Olah, George A; Prakash, G K Surya; Goeppert, Alain

    2011-08-24

    Nature's photosynthesis uses the sun's energy with chlorophyll in plants as a catalyst to recycle carbon dioxide and water into new plant life. Only given sufficient geological time, millions of years, can new fossil fuels be formed naturally. The burning of our diminishing fossil fuel reserves is accompanied by large anthropogenic CO(2) release, which is outpacing nature's CO(2) recycling capability, causing significant environmental harm. To supplement the natural carbon cycle, we have proposed and developed a feasible anthropogenic chemical recycling of carbon dioxide. Carbon dioxide is captured by absorption technologies from any natural or industrial source, from human activities, or even from the air itself. It can then be converted by feasible chemical transformations into fuels such as methanol, dimethyl ether, and varied products including synthetic hydrocarbons and even proteins for animal feed, thus supplementing our food chain. This concept of broad scope and framework is the basis of what we call the Methanol Economy. The needed renewable starting materials, water and CO(2), are available anywhere on Earth. The required energy for the synthetic carbon cycle can come from any alternative energy source such as solar, wind, geothermal, and even hopefully safe nuclear energy. The anthropogenic carbon dioxide cycle offers a way of assuring a sustainable future for humankind when fossil fuels become scarce. While biosources can play a limited role in supplementing future energy needs, they increasingly interfere with the essentials of the food chain. We have previously reviewed aspects of the chemical recycling of carbon dioxide to methanol and dimethyl ether. In the present Perspective, we extend the discussion of the innovative and feasible anthropogenic carbon cycle, which can be the basis of progressively liberating humankind from its dependence on diminishing fossil fuel reserves while also controlling harmful CO(2) emissions to the atmosphere. We also

  18. Self-sustained high-temperature reactions : Initiation, propagation and synthesis

    NARCIS (Netherlands)

    Martinez Pacheco, M.

    2007-01-01

    Self-Propagating High-Temperature Synthesis (SHS), also called combustion synthesis is an exothermic and self-sustained reaction between the constituents, which has assumed significance for the production of ceramics and ceramic-metallic materials (cermets), because it is a very rapid processing

  19. Sustainable catalysis challenges and practices for the pharmaceutical and fine chemical industries

    CERN Document Server

    Dunn, Peter J; Krische, Michael J; Williams, Michael T

    2013-01-01

    Opens the door to the sustainable production of pharmaceuticals and fine chemicals Driven by both public demand and government regulations, pharmaceutical and fine chemical manufacturers are increasingly seeking to replace stoichiometric reagents used in synthetic transformations with catalytic routes in order to develop greener, safer, and more cost-effective chemical processes. This book supports the discovery, development, and implementation of new catalytic methodologies on a process scale, opening the door to the sustainable production of pharmaceuticals and fine chemicals

  20. Total chemical synthesis of proteins without HPLC purification.

    Science.gov (United States)

    Loibl, S F; Harpaz, Z; Zitterbart, R; Seitz, O

    2016-11-01

    The total chemical synthesis of proteins is a tedious and time-consuming endeavour. The typical steps involve solid phase synthesis of peptide thioesters and cysteinyl peptides, native chemical ligation (NCL) in solution, desulfurization or removal of ligation auxiliaries in the case of extended NCL as well as many intermediary and final HPLC purification steps. With an aim to facilitate and improve the throughput of protein synthesis we developed the first method for the rapid chemical total on-resin synthesis of proteins that proceeds without a single HPLC-purification step. The method relies on the combination of three orthogonal protein tags that allow sequential immobilization (via the N-terminal and C-terminal ends), extended native chemical ligation and release reactions. The peptide fragments to be ligated are prepared by conventional solid phase synthesis and used as crude materials in the subsequent steps. An N-terminal His6 unit permits selective immobilization of the full length peptide thioester onto Ni-NTA agarose beads. The C-terminal peptide fragment carries a C-terminal peptide hydrazide and an N-terminal 2-mercapto-2-phenyl-ethyl ligation auxiliary, which serves as a reactivity tag for the full length peptide. As a result, only full length peptides, not truncation products, react in the subsequent on-bead extended NCL. After auxiliary removal the ligation product is liberated into solution upon treatment with mild acid, and is concomitantly captured by an aldehyde-modified resin. This step allows the removal of the most frequently observed by-product in NCL chemistry, i.e. the hydrolysed peptide thioester (which does not contain a C-terminal peptide hydrazide). Finally, the target protein is released with diluted hydrazine or acid. We applied the method in the synthesis of 46 to 126 amino acid long MUC1 proteins comprising 2-6 copies of a 20mer tandem repeat sequence. Only three days were required for the parallel synthesis of 9 MUC1 proteins

  1. The effect of chemical additives on the synthesis of ethanol

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.

    1990-11-01

    The objective of this research is to elucidate the role of additives on the ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used for this study will include S, P, Ag, Cu, Mn, and Na which have different electronegativities. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of experimental studies of NO adsorption, reaction probing, study state rate measurement, and transient kinetic study. A better understanding of the role of additive on the synthesis reaction may allow them to use chemical additives to manipulate the catalytic properties of Rh- and Ni-based catalysts for producing high yields of ethanol from syngas. 49 refs., 6 figs., 3 tabs.

  2. N-TiO: Chemical Synthesis and Photocatalysis

    Directory of Open Access Journals (Sweden)

    Matias Factorovich

    2011-01-01

    Full Text Available The chemical synthesis of nitrogen-doped titanium dioxide (N-TiO2 is explored in an attempt to understand the mechanisms of doping. Urea is used as precursor in a sol gel synthesis of N-TiO2. Chemical and structural changes during thermal treatment of the precursors were followed by several techniques. The effect of doping on band gap, morphology, and microstructure was also determined. The byproducts produced during firing correspond to those obtained during urea thermal decomposition. Polynitrogenated colored compounds produced at temperatures below 400°C may act as sensitizer. Incorporation of N in the TiO2 structure is possible at higher temperatures. Degradation experiments of salicylic acid under UVA and visible light (>400 nm in the presence of TiO2 or N-TiO2 indicate that doping decreases the activity under UVA light, while stable byproducts are produced under visible light.

  3. Sustainable Chemical Processes and Products. New Design Methodology and Design Tools

    NARCIS (Netherlands)

    Korevaar, G.

    2004-01-01

    The current chemical industry is not sustainable, which leads to the fact that innovation of chemical processes and products is too often hazardous for society in general and the environment in particular. It really is a challenge to implement sustainability considerations in the design activities

  4. Sustainable Catalytic Process for Synthesis of Triethyl Citrate Plasticizer over Phosphonated USY Zeolite

    Directory of Open Access Journals (Sweden)

    Kakasaheb Y. Nandiwaleand

    2016-10-01

    Full Text Available Fruits wastage is harmful to health and environment concerning spreading diseases and soil pollution, respectively. To avoid this issue, use of citrus fruit waste for the production of citric acid (CA is one of viable mean to obtain value added chemicals. Moreover, synthesis of triethyl citrate (TEC, a non-toxic plasticizer by esterification of CA with ethanol over heterogeneous catalyst would be renewable and sustainable catalytic process. In this context, parent Ultrastable Y (USY and different percentage phosphonated USY (P-USY zeolites were used for the synthesis of TEC in a closed batch reactor, for the first time. The synthesized catalysts were characterized by N2-adsorption desorption isotherm, powder X-ray diffraction (XRD and NH3 temperature programmed desorption (TPD. Effect of reaction conditions, such as the molar ratio of ethanol to CA (5:1 - 20:1, the catalyst to CA ratio (0.05 - 0.25 and reaction temperature (363-403 K, were studied in view to maximizing CA conversion and TEC yield. Phosphonated USY catalysts were found to be superior in activity (CA conversion and TEC yield than parent USY, which is attributed to the increased in total acidity with phosphonation. Among the studied catalysts, the P2USY (2% phosphorous loaded on USY was found to be an optimum catalyst with 99% CA conversion and 82% TEC yield, which is higher than the reported values. This study opens new avenues of research demonstrating principles of green chemistry such as easy separable and reusable catalyst, non-toxic product, bio-renewable synthetic route, milder operating parameters and waste minimization. Copyright © 2016 BCREC GROUP. All rights reserved Received: 12nd October 2015; Revised: 22nd December 2015; Accepted: 29th January 2016 How to Cite: Nandiwale, K.Y., Bokade, V.V. (2016. Sustainable Catalytic Process for Synthesis of Triethyl Citrate Plasticizer over Phosphonated USY Zeolite. Bulletin of Chemical Reaction Engineering & Catalysis, 11 (3: 292

  5. The substitution of hazardous chemicals in the international context - Opportunity for promoting sustainable chemistry

    OpenAIRE

    Weber, R.; Lissner, L.; Fantke, Peter

    2016-01-01

    While a wide range of sustainable/green chemicals for various applications is available, often only certain types of hazardous or unsustainably produced chemicals are continued to be used out of different reasons (“lock-in problem”)1,2. One challenge is that policy makers and industries in particular in developing and transition countries do not know about more sustainable and green alternatives for a chemical in a particular application. Methodologies and tools are, hence, needed for the com...

  6. Synthesis of methods to assess farms' sustainability | Mhamdi ...

    African Journals Online (AJOL)

    Sustainability became a central exit in the agricultural sector, all for researchers, producers and decision makers. Sustainable agriculture is a mode which produces abundant food without exhausting the earth resources or polluting its environment. It is also the agriculture of the statutory values, one whose success is not ...

  7. Development of Chemical Process Design and Control for Sustainability

    Directory of Open Access Journals (Sweden)

    Shuyun Li

    2016-07-01

    Full Text Available This contribution describes a novel process systems engineering framework that couples advanced control with sustainability evaluation for the optimization of process operations to minimize environmental impacts associated with products, materials and energy. The implemented control strategy combines a biologically-inspired method with optimal control concepts for finding more sustainable operating trajectories. The sustainability assessment of process operating points is carried out by using the U.S. EPA’s Gauging Reaction Effectiveness for the ENvironmental Sustainability of Chemistries with a multi-Objective Process Evaluator (GREENSCOPE tool that provides scores for the selected indicators in the economic, material efficiency, environmental and energy areas. The indicator scores describe process performance on a sustainability measurement scale, effectively determining which operating point is more sustainable if there are more than several steady states for one specific product manufacturing. Through comparisons between a representative benchmark and the optimal steady states obtained through the implementation of the proposed controller, a systematic decision can be made in terms of whether the implementation of the controller is moving the process towards a more sustainable operation. The effectiveness of the proposed framework is illustrated through a case study of a continuous fermentation process for fuel production, whose material and energy time variation models are characterized by multiple steady states and oscillatory conditions.

  8. A sustainable biotechnological process for the efficient synthesis of kojibiose

    OpenAIRE

    Díez-Municio, M.; Montilla, Antonia; Moreno, F. Javier; Herrero, Miguel

    2014-01-01

    This work reports the optimization of a cost-effective and scalable process for the enzymatic synthesis of kojibiose (2-O-α-d-glucopyranosyl-α- d-glucose) from readily available and low-cost substrates such as sucrose and lactose. This biotechnological process is based on the dextransucrase-catalysed initial synthesis of a galactosyl-derivative of kojibiose (4-O-β-d- galactopyranosyl-kojibiose) followed by the removal of residual monosaccharides using a Saccharomyces cerevisiae yeast treatmen...

  9. Indicators and Metrics for Evaluating the Sustainability of Chemical Processes

    Science.gov (United States)

    A metric-based method, called GREENSCOPE, has been developed for evaluating process sustainability. Using lab-scale information and engineering assumptions the method evaluates full-scale epresentations of processes in environmental, efficiency, energy and economic areas. The m...

  10. Bio-based chemicals - green, but also sustainable?

    DEFF Research Database (Denmark)

    Ögmundarson, Ólafur; Herrgard, Markus; Förster, Jochen

    by exclusively looking at reduced global warming impacts related to avoiding oil refining and related greenhouse gas emissions. However, there is big variation of which impacts are assessed and which life cycle stages are included between existing published studies focusing on assessing environmental...... production, the US Department of Energy proposed in 2004 a list of 12 building block chemicals which can either be converged through biological or chemical conversions. Moving toward more bio-based chemicals, the chemical industry does not only claim to reduce climate change impacts, but also......For almost two decades, the chemical industry has put great effort into developing bio-chemicals,among others to fight global warming caused by greenhouse gas emissions, one of the biggest threats that are faced by our society today. To facilitate a growing and versatile bio-based chemical...

  11. Microbial synthesis of medium-chain chemicals from renewables.

    Science.gov (United States)

    Sarria, Stephen; Kruyer, Nicholas S; Peralta-Yahya, Pamela

    2017-12-01

    Linear, medium-chain (C8-C12) hydrocarbons are important components of fuels as well as commodity and specialty chemicals. As industrial microbes do not contain pathways to produce medium-chain chemicals, approaches such as overexpression of endogenous enzymes or deletion of competing pathways are not available to the metabolic engineer; instead, fatty acid synthesis and reversed β-oxidation are manipulated to synthesize medium-chain chemical precursors. Even so, chain lengths remain difficult to control, which means that purification must be used to obtain the desired products, titers of which are typically low and rarely exceed milligrams per liter. By engineering the substrate specificity and activity of the pathway enzymes that generate the fatty acyl intermediates and chain-tailoring enzymes, researchers can boost the type and yield of medium-chain chemicals. Development of technologies to both manipulate chain-tailoring enzymes and to assay for products promises to enable the generation of g/L yields of medium-chain chemicals.

  12. Chemical Synthesis and Electrochemical Characterization of Nanoporous Gold films

    DEFF Research Database (Denmark)

    Christiansen, Mikkel U-B; Seselj, Nedjeljko; Engelbrekt, Christian

    Nanoporous gold (NPG) is conventionally made via dealloying methods1. We present an alternative method for bottom-up chemical synthesis of nanoporous gold film (cNPGF), with properties resembling those of dealloyed NPG. The developed procedure is simple and only benign chemicals are used....... Chloroauric acid is reduced to nanoparticles (NPs) by 2-(N-morpholino)ethanesulfonate, acting also as a protecting agent for the NPs and as a pH buffer, while potassium chloride is used to control ionic strength. The film formation is controlled by parameters such as temperature, ionic strength...... and protonation of the buffer. Therefore, it is possible to influence the trapping of nanoparticles at the air-liquid interface, yielding porous thin film structures, Figure 1A. The produced cNPGFs have been investigated by atomic force microscopy (AFM), transmission electron microscopy (TEM) and cyclic...

  13. Method for innovative synthesis-design of chemical process flowsheets

    DEFF Research Database (Denmark)

    Kumar Tula, Anjan; Gani, Rafiqul

    is available, rigorous simulation is performed to validate the synthesis-design. Note that since the flowsheet is synthesized and the operations in the flowsheet designed to match a set of design targets, there are no iterations involved as the final flowsheet is among the best, if not the best. In this paper...... of chemical processes, where, chemical process flowsheets could be synthesized in the same way as atoms or groups of atoms are synthesized to form molecules in computer aided molecular design (CAMD) techniques [4]. That, from a library of building blocks (functional process-groups) and a set of rules to join...... and selected for further analysis. In the next stage, the design parameters for the operations of the flowsheet are established through reverse engineering approaches based on driving forces available for each operation. In the final stage, when all the necessary information for a rigorous process simulation...

  14. Using Green Chemistry and Engineering Principles to Design, Assess, and Retrofit Chemical Processes for Sustainability

    Science.gov (United States)

    The concepts of green chemistry and engineering (GC&E) have been promoted as an effective qualitative framework for developing more sustainable chemical syntheses, processes, and material management techniques. This has been demonstrated by many theoretical and practical cases. I...

  15. Sustainable chemical processing and energy-carbon dioxide management: review of challenges and opportunities

    DEFF Research Database (Denmark)

    Frauzem, Rebecca; Vooradi, Ramsagar; Bertran, Maria-Ona

    2017-01-01

    of sustainable chemical processing in the utilization of biomass-based energy-chemicals production, carbon-capture and utilization with zero or negative CO2-emission to produce value added chemicals as well as retrofit design of energy intensive chemical processes with significant reduction of energy consumption...... are presented. These examples highlight issues of energy sustainable design, energy-CO2 neutral design, energy-retrofit design,and energy-process intensification. Finally, some perspectives on the status and future directions of carbon dioxide management are given....

  16. The evolving role of chemical synthesis in antibacterial drug discovery.

    Science.gov (United States)

    Wright, Peter M; Seiple, Ian B; Myers, Andrew G

    2014-08-18

    The discovery and implementation of antibiotics in the early twentieth century transformed human health and wellbeing. Chemical synthesis enabled the development of the first antibacterial substances, organoarsenicals and sulfa drugs, but these were soon outshone by a host of more powerful and vastly more complex antibiotics from nature: penicillin, streptomycin, tetracycline, and erythromycin, among others. These primary defences are now significantly less effective as an unavoidable consequence of rapid evolution of resistance within pathogenic bacteria, made worse by widespread misuse of antibiotics. For decades medicinal chemists replenished the arsenal of antibiotics by semisynthetic and to a lesser degree fully synthetic routes, but economic factors have led to a subsidence of this effort, which places society on the precipice of a disaster. We believe that the strategic application of modern chemical synthesis to antibacterial drug discovery must play a critical role if a crisis of global proportions is to be averted. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Sustainability Indicators for Chemical Processes: III. Biodiesel Case Study

    Science.gov (United States)

    The chemical industry is one of the most important business sectors, not only economically, but also societally; as it allows humanity to attain higher standards and quality of life. Simultaneously, chemical products and processes can be the origin of potential human health and ...

  18. Speurwerkprogramma 2015-2018, Theme Sustainable Chemical Industry, Program 2015

    NARCIS (Netherlands)

    Berkel, A.I. van

    2014-01-01

    This report describes the context, ambition, content and governance of the TNO program for the chemical industry for the period 2015 – 2018. That program is the successor of the first TNO innovation program that was specifically established for the chemical industry. TNO started the program

  19. Bridging gaps in discovery and development: chemical and biological sciences for affordable health, wellness and sustainability.

    Science.gov (United States)

    Chauhan, Prem Man Singh

    2011-05-01

    To commemorate 2011 as the International Year of Chemistry, the Indian Society of Chemists and Biologists organized its 15th International Conference on 'Bridging Gaps in Discovery and Development: Chemical and Biological Sciences for Affordable Health, Wellness and Sustainability' at Hotel Grand Bhagwati, in association with Saurashtra University, Rajkot, India. Anamik Shah, President of the Indian Society of Chemists and Biologists, was organizing secretary of the conference. Nicole Moreau, President of the International Union of Pure and Applied Chemistry and Secretary General of the Comité National de la Chimie, National Centre for Scientific Research France, was chief guest of the function. The four-day scientific program included 52 plenary lectures, 24 invited lectures by eminent scientists in the field and 12 oral presentations. A total of 317 posters were presented by young scientists and PhD students in three different poster sessions. Approximately 750 delegates from India, the USA, UK, France, Switzerland, Germany, Austria, Belgium, Sweden, Japan and other countries attended the conference. The majority of the speakers gave presentations related to their current projects and areas of interest and many of the talks covered synthesis, structure-activity relationships, current trends in medicinal chemistry and drug research.

  20. Sustainable Chemical Process Development through an Integrated Framework

    DEFF Research Database (Denmark)

    Papadakis, Emmanouil; Kumar Tula, Anjan; Anantpinijwatna, Amata

    2016-01-01

    This paper describes the development and the application of a general integrated framework based on systematic model-based methods and computer-aided tools with the objective to achieve more sustainable process designs and to improve the process understanding. The developed framework can be appli...

  1. Microbial chemical factories: recent advances in pathway engineering for synthesis of value added chemicals.

    Science.gov (United States)

    Dhamankar, Himanshu; Prather, Kristala L J

    2011-08-01

    The dwindling nature of petroleum and other fossil reserves has provided impetus towards microbial synthesis of fuels and value added chemicals from biomass-derived sugars as a renewable resource. Microbes have naturally evolved enzymes and pathways that can convert biomass into hundreds of unique chemical structures, a property that can be effectively exploited for their engineering into Microbial Chemical Factories (MCFs). De novo pathway engineering facilitates expansion of the repertoire of microbially synthesized compounds beyond natural products. In this review, we visit some recent successes in such novel pathway engineering and optimization, with particular emphasis on the selection and engineering of pathway enzymes and balancing of their accessory cofactors. Copyright © 2011 Elsevier Ltd. All rights reserved.

  2. Systematic methods and tools for design of sustainable chemical processes for CO2 utilization

    DEFF Research Database (Denmark)

    Kongpanna, Pichayapan; Babi, Deenesh K.; Pavarajarn, Varong

    2016-01-01

    A systematic computer-aided framework for sustainable process design is presented together with its application to the synthesis and generation of processing networks for dimethyl carbonate (DMC) production with CO2 utilization. The framework integrated with various methods, tools, algorithms...... and databases is based on a combined process synthesis-design-intensification method. The method consists of three stages. The synthesis-stage involves superstructure based optimization to identify promising networks that convert a given set of raw materials to a desired set of products. The design......-stage involves selection and analysis of the identified networks as a base case design in terms of operational feasibility, economics, life cycle assessment factors and sustainability measures, which are employed to establish targets for improvement in the next-stage. The innovation-stage involves generation...

  3. Contributions of Education for Sustainable Development (ESD) to Quality Education: A Synthesis of Research

    Science.gov (United States)

    Laurie, Robert; Nonoyama-Tarumi, Yuko; Mckeown, Rosalyn; Hopkins, Charles

    2016-01-01

    This research is a synthesis of studies carried out in 18 countries to identify contributions of education for sustainable development (ESD) to quality education. Five common questions were used for the interviews in each country to solicit education leaders and practitioners' views on the outcome and implementation of ESD. The analysis revealed…

  4. A review of engineering aspects of intensification of chemical synthesis using ultrasound.

    Science.gov (United States)

    Sancheti, Sonam V; Gogate, Parag R

    2017-05-01

    Cavitation generated using ultrasound can enhance the rates of several chemical reactions giving better selectivity based on the physical and chemical effects. The present review focuses on overview of the different reactions that can be intensified using ultrasound followed by the discussion on the chemical kinetics for ultrasound assisted reactions, engineering aspects related to reactor designs and effect of operating parameters on the degree of intensification obtained for chemical synthesis. The cavitational effects in terms of magnitudes of collapse temperatures and collapse pressure, number of free radicals generated and extent of turbulence are strongly dependent on the operating parameters such as ultrasonic power, frequency, duty cycle, temperature as well as physicochemical parameters of liquid medium which controls the inception of cavitation. Guidelines have been presented for the optimum selection based on the critical analysis of the existing literature so that maximum process intensification benefits can be obtained. Different reactor designs have also been analyzed with guidelines for efficient scale up of the sonochemical reactor, which would be dependent on the type of reaction, controlling mechanism of reaction, catalyst and activation energy requirements. Overall, it has been established that sonochemistry offers considerable potential for green and sustainable processing and efficient scale up procedures are required so as to harness the effects at actual commercial level. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Sustainability assessment of novel chemical processes at early stage: application to biobased processes

    NARCIS (Netherlands)

    Patel, A.D.; Meesters, K.P.H.; Uil, den H.; Jong, de E.; Blok, K.; Patel, M.K.

    2012-01-01

    Chemical conversions have been a cornerstone of industrial revolution and societal progress. Continuing this progress in a resource constrained world poses a critical challenge which demands the development of innovative chemical processes to meet our energy and material needs in a sustainable way.

  6. The effect of chemical additives on the synthesis of ethanol

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.

    1989-02-04

    The objective of this research is to elucidate the role of various chemical additives on ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used will include S, P, Ag, Cu, Mn, and Na. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of studies including temperature programmed desorption, infrared study of NO adsorption, reactive probing, steady state rate measurement, and transient kinetic study. A better understanding of the role of additive may allow us to use chemical additives to manipulate the catalytic properties of Rh- and Ni-based catalysts for producing high yields of ethanol from syngas. CO insertion is known to be a key step to the formation of acetaldehyde and ethanol from CO hydrogenation over Rh catalysts. Ethylene hydroformylation has often served as a probe to determine CO insertion capabilities of Rh catalysts. The mechanism of CO insertion in ethylene hydroformylation over Rh/SiO{sub 2} was investigated.

  7. Using Chemical Synthesis To Study and Apply Protein Glycosylation.

    Science.gov (United States)

    Chaffey, Patrick K; Guan, Xiaoyang; Li, Yaohao; Tan, Zhongping

    2018-01-16

    Protein glycosylation is one of the most common post-translational modifications and can influence many properties of proteins. Abnormal protein glycosylation can lead to protein malfunction and serious disease. While appreciation of glycosylation's importance is growing in the scientific community, especially in recent years, a lack of homogeneous glycoproteins with well-defined glycan structures has made it difficult to understand the correlation between the structure of glycoproteins and their properties at a quantitative level. This has been a significant limitation on rational applications of glycosylation and on optimizing glycoprotein properties. Through the extraordinary efforts of chemists, it is now feasible to use chemical synthesis to produce collections of homogeneous glycoforms with systematic variations in amino acid sequence, glycosidic linkage, anomeric configuration, and glycan structure. Such a technical advance has greatly facilitated the study and application of protein glycosylation. This Perspective highlights some representative work in this research area, with the goal of inspiring and encouraging more scientists to pursue the glycosciences.

  8. Modifier effects on chemical reduction synthesis of nanostructured copper

    Science.gov (United States)

    Cheng, Xiaonong; Zhang, Xifeng; Yin, Hengbo; Wang, Aili; Xu, Yiqing

    2006-12-01

    Size-controlled chemical reduction synthesis of nanostructured Cu was studied in the presence of a single modifier such as polyethylene glycols, sodium dodecyl benzene sulfonate, sodium dodecyl sulfate or a mixture of two different types of modifiers. The Cu nanoparticles were characterized by powder X-ray diffraction, transmission electron microscopy, selected area electron diffraction and Fourier transform infrared spectroscopy. The average particle size and particle size distribution of the nanostructured Cu depend upon the type of modifiers and the modifier effect follows the order: PEG-2000 > SDBS > PEG-600 > SDS > PEG-6000. The experimental results indicate that due to the existence of a synergistic action, a mixture of two types of modifiers has a significant effect on the particle size and the size distribution of Cu nanoparticles.

  9. Modifier effects on chemical reduction synthesis of nanostructured copper

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Xiaonong [School of Material Science and Engineering, Jiangsu University, Zhenjiang 212013 (China); Zhang Xifeng [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China)]. E-mail: zhangxf_chzh@163.com; Yin Hengbo [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Wang Aili [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China); Xu Yiqing [School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013 (China)

    2006-12-30

    Size-controlled chemical reduction synthesis of nanostructured Cu was studied in the presence of a single modifier such as polyethylene glycols, sodium dodecyl benzene sulfonate, sodium dodecyl sulfate or a mixture of two different types of modifiers. The Cu nanoparticles were characterized by powder X-ray diffraction, transmission electron microscopy, selected area electron diffraction and Fourier transform infrared spectroscopy. The average particle size and particle size distribution of the nanostructured Cu depend upon the type of modifiers and the modifier effect follows the order: PEG-2000 > SDBS > PEG-600 > SDS > PEG-6000. The experimental results indicate that due to the existence of a synergistic action, a mixture of two types of modifiers has a significant effect on the particle size and the size distribution of Cu nanoparticles.

  10. Plasma-Chemical Synthesis of Nanosized Powders-Nitrides, Carbides, Oxides, Carbon Nanotubes and Fullerenes

    Science.gov (United States)

    Katerina, Zaharieva; Gheorghi, Vissokov; Janis, Grabis; Slavcho, Rakovsky

    2012-11-01

    In this article the plasma-chemical synthesis of nanosized powders (nitrides, carbides, oxides, carbon nanotubes and fullerenes) is reviewed. Nanosized powders - nitrides, carbides, oxides, carbon nanotubes and fullerenes have been successfully produced using different techniques, technological apparatuses and conditions for their plasma-chemical synthesis.

  11. Chemical Precipitation Synthesis and Thermoelectric Properties of Copper Sulfide

    Science.gov (United States)

    Wu, Sixin; Jiang, Jing; Liang, Yinglin; Yang, Ping; Niu, Yi; Chen, Yide; Xia, Junfeng; Wang, Chao

    2017-04-01

    Earth-abundant copper sulfide compounds have been intensively studied as potential thermoelectric materials due to their high dimensionless figure of merit ZT values. They have a unique phonon-liquid electron-crystal model that helps to achieve high thermoelectric performance. Many methods, such as melting and ball-milling, have been adopted to synthesize this copper sulfide compound, but they both use expensive starting materials with high purity. Here, we develop a simple chemical precipitation approach to synthesize copper sulfide materials through low-cost analytically pure compounds as the starting materials. A high ZT value of 0.93 at 800 K was obtained from the samples annealed at 1273 K. Its power factor is around 8.0 μW cm-1 K-2 that is comparable to the highest record reported by traditional methods. But, the synthesis here has been greatly simplified with reduced cost, which will be of great benefit to the potential mass production of thermoelectric devices. Furthermore, this method can be applied to the synthesis of other sulfur compound thermoelectric materials.

  12. Bioinspired chemical synthesis of monomeric and dimeric stephacidin A congeners

    Science.gov (United States)

    Mukai, Ken; de Sant'ana, Danilo Pereira; Hirooka, Yasuo; Mercado-Marin, Eduardo V.; Stephens, David E.; Kou, Kevin G. M.; Richter, Sven C.; Kelley, Naomi; Sarpong, Richmond

    2018-01-01

    Stephacidin A and its congeners are a collection of secondary metabolites that possess intriguing structural motifs. They stem from unusual biosynthetic sequences that lead to the incorporation of a prenyl or reverse-prenyl group into a bicyclo[2.2.2]diazaoctane framework, a chromene unit or the vestige thereof. To complement biosynthetic studies, which normally play a significant role in unveiling the biosynthetic pathways of natural products, here we demonstrate that chemical synthesis can provide important insights into biosynthesis. We identify a short total synthesis of congeners in the reverse-prenylated indole alkaloid family related to stephacidin A by taking advantage of a direct indole C6 halogenation of the related ketopremalbrancheamide. This novel strategic approach has now made possible the syntheses of several natural products, including malbrancheamides B and C, notoamides F, I and R, aspergamide B, and waikialoid A, which is a heterodimer of avrainvillamide and aspergamide B. Our approach to the preparation of these prenylated and reverse-prenylated indole alkaloids is bioinspired, and may also inform the as-yet undetermined biosynthesis of several congeners.

  13. Soft chemical synthesis of silicon nanosheets and their applications

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, Hideyuki; Ikuno, Takashi [Toyota Central R& D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192 (Japan)

    2016-12-15

    Two-dimensional silicon nanomaterials are expected to show different properties from those of bulk silicon materials by virtue of surface functionalization and quantum size effects. Since facile fabrication processes of large area silicon nanosheets (SiNSs) are required for practical applications, a development of soft chemical synthesis route without using conventional vacuum processes is a challenging issue. We have recently succeeded to prepare SiNSs with sub-nanometer thicknesses by exfoliating layered silicon compounds, and they are found to be composed of crystalline single-atom-thick silicon layers. In this review, we present the synthesis and modification methods of SiNSs. These SiNSs have atomically flat and smooth surfaces due to dense coverage of organic moieties, and they are easily self-assembled in a concentrated state to form a regularly stacked structure. We have also characterized the electron transport properties and the electronic structures of SiNSs. Finally, the potential applications of these SiNSs and organic modified SiNSs are also reviewed.

  14. An optimized chemical synthesis of human relaxin-2.

    Science.gov (United States)

    Barlos, Kostas K; Gatos, Dimitrios; Vasileiou, Zoe; Barlos, Kleomenis

    2010-04-01

    Human gene 2 relaxin (RLX) is a member of the insulin superfamily and is a multi-functional factor playing a vital role in pregnancy, aging, fibrosis, cardioprotection, vasodilation, inflammation, and angiogenesis. RLX is currently applied in clinical trials to cure among others acute heart failure, fibrosis, and preeclampsia. The synthesis of RLX by chemical methods is difficult because of the insolubility of its B-chain and the required laborious and low yielding site-directed combination of its A (RLXA) and B (RLXB) chains. We report here that oxidation of the Met(25) residue of RLXB improves its solubility, allowing its effective solid-phase synthesis and application in random interchain combination reactions with RLXA. Linear Met(O)(25)-RLX B-chain (RLXBO) reacts with a mixture of isomers of bicyclic A-chain (bcRLXA) giving exclusively the native interchain combination. Applying this method Met(O)(25)-RLX (RLXO) was obtained in 62% yield and was easily converted to RLX in 78% yield, by reduction with ammonium iodide. Copyright (c) 2010 European Peptide Society and John Wiley & Sons, Ltd.

  15. Effect of Microwave Radiation on Enzymatic and Chemical Peptide Bond Synthesis on Solid Phase

    Directory of Open Access Journals (Sweden)

    Alessandra Basso

    2009-01-01

    Full Text Available Peptide bond synthesis was performed on PEGA beads under microwave radiations. Classical chemical coupling as well as thermolysin catalyzed synthesis was studied, and the effect of microwave radiations on reaction kinetics, beads' integrity, and enzyme activity was assessed. Results demonstrate that microwave radiations can be profitably exploited to improve reaction kinetics in solid phase peptide synthesis when both chemical and biocatalytic strategies are used.

  16. Green strength sustainability: a case study of chemical engineering students

    OpenAIRE

    Avsec, Stanislav; Kaučič, Branko

    2015-01-01

    Green chemistry is a relatively new area of science and technology aimed at improving chemical processes and thereby avoiding negative impacts on human health, safety, and the environment (EHS). It is based on careful selection of raw materials for the production of various products, excluding the use of hazardous substances. The field of green chemistry has received much attention from the scientific and industrial communities in almost every highly industrialized nation. It i...

  17. Chemical engineering challenges and investment opportunities in sustainable energy.

    Science.gov (United States)

    Heller, Adam

    2008-01-01

    The chemical and energy industries are transforming as they adjust to the new era of high-priced petroleum and severe global warming. As a result of the transformation, engineering challenges and investment opportunities abound. Rapid evolution and fast growth are expected in cathode and anode materials as well as polymeric electrolytes for vehicular batteries and in high-performance polymer-ceramic composites for wind turbines, fuel-efficient aircraft, and lighter and safer cars. Unique process-engineering opportunities exist in sand-oil, coal, and possibly also shale liquefaction to produce transportation fuel; and also in genetic engineering of photosynthesizing plants and other organisms for their processing into high-performance biodegradable polymers and high-value-added environmentally friendly chemicals. Also, research on the feasibility of mitigation of global warming through enhancement of CO(2) uptake by the southern oceans by fertilization with trace amounts of iron is progressing. Because chemical engineers are uniquely well trained in mathematical modeling of mass transport, flow, and mixing, and also in cost analysis, they are likely to join the oceanographers and marine biologists in this important endeavor.

  18. [Sustainable production of bulk chemicals by application of "white biotechnology"].

    Science.gov (United States)

    Patel, M K; Dornburg, V; Hermann, B G; Shen, Li; van Overbeek, Leo

    2008-12-01

    Practically all organic chemicals and plastics are nowadays produced from crude oil and natural gas. However, it is possible to produce a wide range of bulk chemicals from renewable resources by application of biotechnology. This paper focuses on White Biotechnology, which makes use of bacteria (or yeasts) or enzymes for the conversion of the fermentable sugar to the target product. It is shown that White Biotechnology offers substantial savings of non-renewable energy use and greenhouse gas emissions for nearly all of the products studied. Under favorable boundary conditions up to two thirds (67%) of the current non-renewable energy use for the production of the selected chemicals can be saved by 2050 if substantial technological progress is made and if the use of lignocellulosic feedstocks is successfully developed. The analysis for Europe (E.U. 25 countries) shows that land requirements related to White Biotechnology chemicals are not likely to become a critical issue in the next few decades, especially considering the large unused and underutilized resources in Eastern Europe. Substantial macroeconomic savings can be achieved under favourable boundary conditions. In principle, natural bacteria and enzymes can be used for White Biotechnology but, according to many experts in the fields, Genetically Modified Organisms (GMO) will be necessary in order to achieve the high yields, concentrations and productivities that are required to reach economic viability. Safe containment and inactivation of GMOs after release is very important because not all possible implications caused by the interaction of recombinant genes with other populations can be foreseen. If adequate precautionary measures are taken, the risks related to the use of genetically modified organisms in White Biotechnology are manageable. We conclude that the core requirements to be fulfilled in order to make clear steps towards a bio-based chemical industry are substantial technological progress in the

  19. Chemical precursors to zinc sulfide: ZnS whisker synthesis

    Science.gov (United States)

    Guiton, T. A.; Czekaj, C. L.; Rau, M. S.; Geoffroy, G. L.; Pantano, C. G.

    1988-07-01

    Currently, Chemical Vapor Deposition (CVD) derived zinc sulfide is one of the most widely used infrared optical window materials. Unfortunately, for numerous applications it does not possess optimum mechanical properties. To fabricate infrared transmitting ZnS/ZnS composites requires the development of high aspect ratio, micron sized ZnS whiskers. Although larger ZnS single crystals and whiskers have been made by a variety of high temperature routes, alternative routes have been sought for greater ZnS whisker morphology control. Low temperature organometallic routes are attractive for this purpose. The precursor compound used in this study is the known pentameric species (EtZn(SBut))5. One of the most successful routes involves the reaction of (EtZn(SBU sup t))5 with hydrogen sulfide at ambient or sub-ambient temperature to yield a precipitate which is subsequently heated under flowing H2S at 500 C to yield a mixture of sub-micron particles and single-crystal ZnS whiskers. Transmission electron micrographs of the (EtZn(SBU sup t))5 products indicate that the ZnS morphology is critically dependent on the rate of H2S reaction. Corresponding X-ray/electron diffraction, electron microscopy, elemental analysis, NMR and infrared spectroscopies have been conducted. A summary of the chemical methods, product characterization results, and proposed synthesis mechanisms are presented.

  20. A computer-aided software-tool for sustainable process synthesis-intensification

    DEFF Research Database (Denmark)

    Kumar Tula, Anjan; Babi, Deenesh K.; Bottlaender, Jack

    2017-01-01

    and determine within the design space, the more sustainable processes. In this paper, an integrated computer-aided software-tool that searches the design space for hybrid/intensified more sustainable process options is presented. Embedded within the software architecture are process synthesis......Currently, the process industry is moving towards the design of innovative, more sustainable processes that show improvements in both economic and environmental factors. The design space of unit operations that can be combined to generate process flowsheet alternatives considering known unit...... constraints while also matching the design targets, they are therefore more sustainable than the base case. The application of the software-tool to the production of biodiesel is presented, highlighting the main features of the computer-aided, multi-stage, multi-scale methods that are able to determine more...

  1. Sustainable and Continuous Synthesis of Enantiopure l-Amino Acids by Using a Versatile Immobilised Multienzyme System.

    Science.gov (United States)

    Velasco-Lozano, Susana; da Silva, Eunice S; Llop, Jordi; López-Gallego, Fernando

    2017-10-09

    The enzymatic synthesis of α-amino acids is a sustainable and efficient alternative to chemical processes, through which achieving enantiopure products is difficult. To more address this synthesis efficiently, a hierarchical architecture that irreversibly co-immobilises an amino acid dehydrogenase with polyethyleneimine on porous agarose beads has been designed and fabricated. The cationic polymer acts as an irreversible anchoring layer for the formate dehydrogenase. In this architecture, the two enzymes and polymer colocalise across the whole microstructure of the porous carrier. This multifunctional heterogeneous biocatalyst was kinetically characterised and applied to the enantioselective synthesis of a variety of canonical and noncanonical α-amino acids in both discontinuous (batch) and continuous modes. The co-immobilised bienzymatic system conserves more than 50 % of its initial effectiveness after five batch cycles and 8 days of continuous operation. Additionally, the environmental impact of this process has been semiquantitatively calculated and compared with the state of the art. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. The substitution of hazardous chemicals in the international context - Opportunity for promoting sustainable chemistry

    DEFF Research Database (Denmark)

    Weber, R.; Lissner, L.; Fantke, Peter

    and phase-out of hazardous chemicals, such as persistent organic pollutants (POPs), on international level like under the Stockholm Convention, might provide one promising mechanism to mainstream more sustainable and greener chemicals and other alternative solutions aiming at eliminating or at least......-Phase-Out a publication has been developed compiling information on POPs-phase out and alternatives. In the conclusions and recommendation of this document “Sustainable and Green Chemistry” is highlighted as a guiding principle for alternatives assessment. This could be an entry point of Sustainable Chemistry...... in the alternatives assessment process on international level. The POPs phase out document links also to the web-platform SUBSPORT (www.subsport.eu) which has been developed in the frame of an EU project for safer alternatives to toxic chemicals. In this presentation the Stockholm Convention alternatives assessment...

  3. Sustainable Strategy Utilizing Biomass: Visible-Light-Mediated Synthesis of gamma-Valerolactone

    Science.gov (United States)

    A novel sustainable approach to valued g-valerolactone was investigated.This approach exploits the visible-light-mediated conversion of biomass-derived levulinic acid by using a bimetallic catalyst on a graphitic carbon nitride, AgPd@g-C3N4.This dataset is associated with the following publication:Verma, S., R.B.N. Baig, M. Nadagouda , and R. Varma. Sustainable Strategy Utilizing Biomass: Visible-Light-Mediated Synthesis of γ-Valerolactone. ChemCatChem. Wiley-VCH, WEINHEIM, GERMANY, 8(4): 872, (2016).

  4. Bio-electrochemical synthesis of commodity chemicals by autotrophic acetogens utilizing CO2 for environmental remediation.

    Science.gov (United States)

    Jabeen, Gugan; Farooq, Robina

    2016-09-01

    Bio-electrochemical synthesis (BES) is a technique in which electro-autotrophic bacteria such as Clostridium ljungdahlii utilize electric currents as an electron source from the cathode to reduce CO2 to extracellular, multicarbon, exquisite products through autotrophic conversion. The BES of volatile fatty acids and alcohols directly from CO2 is a sustainable alternative for non-renewable, petroleum-based polymer production. This conversion of CO2 implies reduction of greenhouse gas emissions. The synthesis of heptanoic acid, heptanol, hexanoic acid and hexanol, for the first time, by Clostridium ljungdahlii was a remarkable achievement of BES. In our study, these microorganisms were cultivated on the cathode of a bio-electrochemical cell at -400 mV by a DC power supply at 37 degree Centrigrade, pH 6.8, and was studied for both batch and continuous systems. Pre-enrichment of bio-cathode enhanced the electroactivity of cells and resulted in maximizing extracellular products in less time. The main aim of the research was to investigate the impact of low-cost substrate CO2, and the longer cathode recovery range was due to bacterial reduction of CO2 to multicarbon chemical commodities with electrons driven from the cathode. Reactor design was simplified for cost-effectiveness and to enhance energy efficiencies. The Columbic recovery of ethanoic acid, ethanol, ethyl butyrate, hexanoic acid, heptanoic acid and hexanol being in excess of 80 percent proved that BES was a remarkable technology.

  5. Getting the chemicals right: addressing inorganics in sustainability assessments of technologies

    DEFF Research Database (Denmark)

    Müller, Nienke; Fantke, Peter

    A main goal of sustainability research is to enable a technological development in industry and elsewhere that ensures that what is produced and how it is produced today does not harm the quality of human or environmental health for present and future generations. As part of current environmental...... sustainability assessments, the toxicity potential of several thousand organic chemicals is included in characterization models within life cycle impact assessment (LCIA). However, many economic production processes involve the use of inorganic chemicals to a large extent, while the related pressure on human...

  6. Hydrogen Peroxide: A Key Chemical for Today's Sustainable Development.

    Science.gov (United States)

    Ciriminna, Rosaria; Albanese, Lorenzo; Meneguzzo, Francesco; Pagliaro, Mario

    2016-12-20

    The global utilization of hydrogen peroxide, a green oxidant that decomposes in water and oxygen, has gone from 0.5 million tonnes per year three decades ago to 4.5 million tonnes per year in 2014, and is still climbing. With the aim of expanding the utilization of this eminent green chemical across different industrial and civil sectors, the production and use of hydrogen peroxide as a green industrial oxidant is reviewed herein to provide an overview of the explosive growth of its industrial use over the last three decades and of the state of the art in its industrial manufacture, with important details of what determines the viability of the direct production from oxygen and hydrogen compared with the traditional auto-oxidation process. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Organic waste as a sustainable feedstock for platform chemicals

    Science.gov (United States)

    Martinez-Hernandez, E.; Abeln, F.; Raikova, S.; Donnelly, J.; Arnot, T. C.; Allen, M. J.; Hong, D. D.; Chuck, C. J.

    2017-01-01

    Biorefineries have been established since the 1980s for biofuel production, and there has been a switch lately from first to second generation feedstocks in order to avoid the food versus fuel dilemma. To a lesser extent, many opportunities have been investigated for producing chemicals from biomass using by-products of the present biorefineries, simple waste streams. Current facilities apply intensive pre-treatments to deal with single substrate types such as carbohydrates. However, most organic streams such as municipal solid waste or algal blooms present a high complexity and variable mixture of molecules, which makes specific compound production and separation difficult. Here we focus on flexible anaerobic fermentation and hydrothermal processes that can treat complex biomass as a whole to obtain a range of products within an integrated biorefinery concept. PMID:28654113

  8. Synthesis and Characterization of Chemically Etched Nanostructured Silicon

    KAUST Repository

    Mughal, Asad Jahangir

    2012-05-01

    Silicon is an essential element in today’s modern world. Nanostructured Si is a more recently studied variant, which has currently garnered much attention. When its spatial dimensions are confined below a certain limit, its optical properties change dramatically. It transforms from an indirect bandgap material that does not absorb or emit light efficiently into one which can emit visible light at room temperatures. Although much work has been conducted in understanding the properties of nanostructured Si, in particular porous Si surfaces, a clear understanding of the origin of photoluminescence has not yet been produced. Typical synthesis approaches used to produce nanostructured Si, in particular porous Si and nanocrystalline Si have involved complex preparations used at high temperatures, pressures, or currents. The purpose of this thesis is to develop an easier synthesis approach to produce nanostructured Si as well as arrive at a clearer understanding of the origin of photoluminescence in these systems. We used a simple chemical etching technique followed by sonication to produce nanostructured Si suspensions. The etching process involved producing pores on the surface of a Si substrate in a solution containing hydrofluoric acid and an oxidant. Nanocrystalline Si as well as nanoscale amorphous porous Si suspensions were successfully synthesized using this process. We probed into the phase, composition, and origin of photoluminescence in these materials, through the use of several characterization techniques. TEM and SEM were used to determine morphology and phase. FT-IR and XPS were employed to study chemical compositions, and steady state and time resolved optical spectroscopy techniques were applied to resolve their photoluminescent properties. Our work has revealed that the type of oxidant utilized during etching had a significant impact on the final product. When using nitric acid as the oxidant, we formed nanocrystalline Si suspensions composed of

  9. Size-controlled synthesis of transition metal nanoparticles through chemical and photo-chemical routes

    Science.gov (United States)

    Tangeysh, Behzad

    The central objective of this work is developing convenient general procedures for controlling the formation and stabilization of nanoscale transition metal particles. Contemporary interest in developing alternative synthetic approaches for producing nanoparticles arises in large part from expanding applications of the nanomaterials in areas such as catalysis, electronics and medicine. This research focuses on advancing the existing nanoparticle synthetic routes by using a new class of polymer colloid materials as a chemical approach, and the laser irradiation of metal salt solution as a photo-chemical method to attain size and shape selectivity. Controlled synthesis of small metal nanoparticles with sizes ranging from 1 to 5nm is still a continuing challenge in nanomaterial synthesis. This research utilizes a new class of polymer colloid materials as nano-reactors and protective agents for controlling the formation of small transition metal nanoparticles. The polymer colloid particles were formed from cross-linking of dinegatively charged metal precursors with partially protonated poly dimethylaminoethylmethacrylate (PDMAEMA). Incorporation of [PtCl6]2- species into the colloidal particles prior to the chemical reduction was effectively employed as a new strategy for synthesis of unusually small platinum nanoparticles with narrow size distributions (1.12 +/-0.25nm). To explore the generality of this approach, in a series of proof-of-concept studies, this method was successfully employed for the synthesis of small palladium (1.4 +/-0.2nm) and copper nanoparticles (1.5 +/-0.6nm). The polymer colloid materials developed in this research are pH responsive, and are designed to self-assemble and/or disassemble by varying the levels of protonation of the polymer chains. This unique feature was used to tune the size of palladium nanoparticles in a small range from 1nm to 5nm. The procedure presented in this work is a new convenient room temperature route for synthesis of

  10. The effect of chemical additives on the synthesis of ethanol

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.; Pien, S.I.

    1991-06-01

    The objective of this research is to elucidate the role of various chemical additives on ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used for this study will include S, P, Ag, Cu, Mn, and Na which have different electronegativeities. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of experimental studies of NO adsorption, reactive probing, steady state rate measurement, and transient kinetic study. CO insertion is known to be a key step to the formation of acetaldehyde and ethanol from CO hydrogenation. Reaction of ethylene with syngas is used as a probe to determine CO insertion capabilities of metal catalysts. During the sixth quarter of the project, the mechanism of CO insertion on Ni/SiO{sub 2} was investigated by in-situ infrared spectroscopy. Ni/SiO{sub 2}, a methanation catalyst, has been shown to exhibit CO insertion activity. In situ infrared studies of CO/H{sub 2} and C{sub 2}H{sub 4}/CO/H{sub 2} reactions show that the carbonylation of Ni/SiO{sub 2} to Ni(CO){sub 4} leads to an inhibition of methanation in CO hydrogenation but an enhancement of formation of propionaldehyde in C{sub 2}H{sub 4}/CO/H{sub 2} reaction. The results suggest that the sites for propionaldehyde formation is different from those for methanation.

  11. 3D printing of versatile reactionware for chemical synthesis.

    Science.gov (United States)

    Kitson, Philip J; Glatzel, Stefan; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei; Cronin, Leroy

    2016-05-01

    In recent decades, 3D printing (also known as additive manufacturing) techniques have moved beyond their traditional applications in the fields of industrial manufacturing and prototyping to increasingly find roles in scientific research contexts, such as synthetic chemistry. We present a general approach for the production of bespoke chemical reactors, termed reactionware, using two different approaches to extrusion-based 3D printing. This protocol describes the printing of an inert polypropylene (PP) architecture with the concurrent printing of soft material catalyst composites, using two different 3D printer setups. The steps of the PROCEDURE describe the design and preparation of a 3D digital model of the desired reactionware device and the preparation of this model for use with fused deposition modeling (FDM) type 3D printers. The protocol then further describes the preparation of composite catalyst-silicone materials for incorporation into the 3D-printed device and the steps required to fabricate a reactionware device. This combined approach allows versatility in the design and use of reactionware based on the specific needs of the experimental user. To illustrate this, we present a detailed procedure for the production of one such reactionware device that will result in the production of a sealed reactor capable of effecting a multistep organic synthesis. Depending on the design time of the 3D model, and including time for curing and drying of materials, this procedure can be completed in ∼3 d.

  12. Autocatalytic sets and chemical organizations: modeling self-sustaining reaction networks at the origin of life

    Science.gov (United States)

    Hordijk, Wim; Steel, Mike; Dittrich, Peter

    2018-01-01

    Two related but somewhat different approaches have been proposed to formalize the notion of a self-sustaining chemical reaction network. One is the notion of collectively autocatalytic sets, formalized as RAF theory, and the other is chemical organization theory. Both formalisms have been argued to be relevant to the origin of life. RAF sets and chemical organizations are defined differently, but previously some relationships between the two have been shown. Here, we refine and explore these connections in more detail. In particular, we show that so-called closed RAFs are chemical organizations, but that the converse is not necessarily true. We then introduce and apply a procedure to show how chemical organizations can be used to find all closed RAFs within any chemical reaction system. We end with a discussion of why and how closed RAFs could be important in the context of the origin and early evolution of life.

  13. DEVELOPMENT OF ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    Energy Technology Data Exchange (ETDEWEB)

    Peter J. Tijrn

    2003-05-31

    This Final Report for Cooperative Agreement No. DE-FC22-95PC93052, the ''Development of Alternative Fuels and Chemicals from Synthesis Gas,'' was prepared by Air Products and Chemicals, Inc. (Air Products), and covers activities from 29 December 1994 through 31 July 2002. The overall objectives of this program were to investigate potential technologies for the conversion of synthesis gas (syngas), a mixture primarily of hydrogen (H{sub 2}) and carbon monoxide (CO), to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at the LaPorte, Texas Alternative Fuels Development Unit (AFDU). Laboratory work was performed by Air Products and a variety of subcontractors, and focused on the study of the kinetics of production of methanol and dimethyl ether (DME) from syngas, the production of DME using the Liquid Phase Dimethyl Ether (LPDME{trademark}) Process, the conversion of DME to fuels and chemicals, and the production of other higher value products from syngas. Four operating campaigns were performed at the AFDU during the performance period. Tests of the Liquid Phase Methanol (LPMEOH{trademark}) Process and the LPDME{trademark} Process were made to confirm results from the laboratory program and to allow for the study of the hydrodynamics of the slurry bubble column reactor (SBCR) at a significant engineering scale. Two campaigns demonstrated the conversion of syngas to hydrocarbon products via the slurry-phase Fischer-Tropsch (F-T) process. Other topics that were studied within this program include the economics of production of methyl tert-butyl ether (MTBE), the identification of trace components in coal-derived syngas and the means to economically remove these species, and the study of systems for separation of wax from catalyst in the F-T process. The work performed under this Cooperative Agreement has continued to promote the development of technologies that use clean syngas produced

  14. Integrating Sustainable Development in Chemical Engineering Education: The Application of an Environmental Management System

    Science.gov (United States)

    Montanes, M. T.; Palomares, A. E.; Sanchez-Tovar, R.

    2012-01-01

    The principles of sustainable development have been integrated in chemical engineering education by means of an environmental management system. These principles have been introduced in the teaching laboratories where students perform their practical classes. In this paper, the implementation of the environmental management system, the problems…

  15. Biomass as a Sustainable Energy Source: An Illustration of Chemical Engineering Thermodynamic Concepts

    Science.gov (United States)

    Mohan, Marguerite A.; May, Nicole; Assaf-Anid, Nada M.; Castaldi, Marco J.

    2006-01-01

    The ever-increasing global demand for energy has sparked renewed interest within the engineering community in the study of sustainable alternative energy sources. This paper discusses a power generation system which uses biomass as "fuel" to illustrate the concepts taught to students taking a graduate level chemical engineering process…

  16. A systems engineering approach to manage the complexity in sustainable chemical product-process design

    DEFF Research Database (Denmark)

    Gani, Rafiqul

    This paper provides a perspective on model-data based solution approaches for chemical product-process design, which consists of finding the identity of the candidate chemical product, designing the process that can sustainably manufacture it and verifying the performance of the product during...... application. The chemical product tree is potentially very large and a wide range of options exist for selecting the product to make, the raw material to use as well as the processing route to employ. It is shown that systematic computer-aided methods and tools integrated within a model-data based design...

  17. Chemical solution synthesis and properties of nanoscale ferroelectrics, single phase and composite multiferroics

    OpenAIRE

    Hardy, An; Van Bael, Marlies K.

    2015-01-01

    Chemical solution syntheses are frequently used for the synthesis of many kinds of metal oxides. The cited advantages include the compositional flexibility, high phase purity at relatively low temperatures, low equipment and operation cost and for some cases, the compatibility with roll-to-roll processing. Here, we focus on solution based synthesis of nanoscale BaTiO3 besides multiferroics. First, the size limit for tetragonal BaTiO3 particles from solvothermal synthesis is investigated...

  18. “Miswak” Based Green Synthesis of Silver Nanoparticles: Evaluation and Comparison of Their Microbicidal Activities with the Chemical Synthesis

    OpenAIRE

    Mohammed Rafi Shaik; Albalawi, Ghadeer H.; Shams Tabrez Khan; Merajuddin Khan; Syed Farooq Adil; Mufsir Kuniyil; Abdulrahman Al-Warthan; Mohammed Rafiq H. Siddiqui; Alkhathlan, Hamad Z.; Mujeeb Khan

    2016-01-01

    Microbicidal potential of silver nanoparticles (Ag-NPs) can be drastically improved by improving their solubility or wettability in the aqueous medium. In the present study, we report the synthesis of both green and chemical synthesis of Ag-NPs, and evaluate the effect of the dispersion qualities of as-prepared Ag-NPs from both methods on their antimicrobial activities. The green synthesis of Ag-NPs is carried out by using an aqueous solution of readily available Salvadora persica L. root ext...

  19. Not Just Lumber—Using Wood in the Sustainable Future of Materials, Chemicals, and Fuels

    Science.gov (United States)

    Jakes, Joseph E.; Arzola, Xavier; Bergman, Rick; Ciesielski, Peter; Hunt, Christopher G.; Rahbar, Nima; Tshabalala, Mandla; Wiedenhoeft, Alex C.; Zelinka, Samuel L.

    2016-09-01

    Forest-derived biomaterials can play an integral role in a sustainable and renewable future. Research across a range of disciplines is required to develop the knowledge necessary to overcome the challenges of incorporating more renewable forest resources in materials, chemicals, and fuels. We focus on wood specifically because in our view, better characterization of wood as a raw material and as a feedstock will lead to its increased utilization. We first give an overview of wood structure and chemical composition and then highlight current topics in forest products research, including (1) industrial chemicals, biofuels, and energy from woody materials; (2) wood-based activated carbon and carbon nanostructures; (3) development of improved wood protection treatments; (4) massive timber construction; (5) wood as a bioinspiring material; and (6) atomic simulations of wood polymers. We conclude with a discussion of the sustainability of wood as a renewable forest resource.

  20. Not Just Lumber—Using Wood in the Sustainable Future of Materials, Chemicals, and Fuels

    Energy Technology Data Exchange (ETDEWEB)

    Jakes, Joseph E.; Arzola, Xavier; Bergman, Rick; Ciesielski, Peter; Hunt, Christopher G.; Rahbar, Nima; Tshabalala, Mandla; Wiedenhoeft, Alex C.; Zelinka, Samuel L.

    2016-07-21

    Forest-derived biomaterials can play an integral role in a sustainable and renewable future. Research across a range of disciplines is required to develop the knowledge necessary to overcome the challenges of incorporating more renewable forest resources in materials, chemicals, and fuels. We focus on wood specifically because in our view, better characterization of wood as a raw material and as a feedstock will lead to its increased utilization. We first give an overview of wood structure and chemical composition and then highlight current topics in forest products research, including (1) industrial chemicals, biofuels, and energy from woody materials; (2) wood-based activated carbon and carbon nanostructures; (3) development of improved wood protection treatments; (4) massive timber construction; (5) wood as a bioinspiring material; and (6) atomic simulations of wood polymers. We conclude with a discussion of the sustainability of wood as a renewable forest resource.

  1. Chemical synthesis and modification of target phases of chalcogenide nanomaterials

    Science.gov (United States)

    Sines, Ian T.

    Inorganic nanoparticles have been at the forefront of materials research in recent years due to their utility in modern technological processes. Chalcogenide nanomaterials are of particular interest because of their wide range of desirable properties for semiconductors, magnetic devices, and energy industries. Primary factors that dictate the properties of the material are the elemental composition, crystal structure, stoichiometry, crystallite size, and particle morphology. One of the most common approaches to synthesize these materials is through solution mediated routes. This approach offers unique advantages in controlling the morphology and particle size that other methods lack. This dissertation describes our recent work on exploiting solution chemical routes to control the crystal structure and composition of chalcogenide nanomaterials. We will start by discussing solution chemistry routes to synthesize non-equilibrium phases of chaclogenide nanomaterials. By using low-temperature bottom-up techniques it is possible to trap kinetically stable phases that cannot be accessed using traditional high-temperature techniques. We used solution chemistry to synthesize and characterize, for the first time, wurtzite-type MnSe. Wurtzite-type MnSe is the end-member of the highly investigated ZnxMn1-xSe solid solution, a classic magnetic semiconductor system. We will then discuss PbO-type FeS, another non-equilibrium phase that is isostructural with the superconducting phase of FeSe. We synthesized phase-pure PbO-type FeS using a low-temperature solvothermal route. We will then discuss the post-synthetic modification of chalcogenides nanomaterials. By exploiting the solubility of Se and S in tri-n-octylphosphine we can selectively extract the chalcogen from preformed chalcogenide nanomaterials. This gives chemists a technique for purification and phase-targeting of particular chalcogenide phases. This method can be modified to facilitate anion exchange. When Te is

  2. A review on the chemical synthesis of pyrophosphate bonds in bioactive nucleoside diphosphate analogs.

    Science.gov (United States)

    Xu, Zhihong

    2015-09-15

    Currently, there is an ongoing interest in the synthesis of nucleoside diphosphate analogs as important regulators in catabolism/anabolism, and their potential applications as mechanistic probes and chemical tools for bioassays. However, the pyrophosphate bond formation step remains as the bottleneck. In this Digest, the chemical synthesis of the pyrophosphate bonds of representative bioactive nucleoside diphosphate analogs, i.e. phosphorus-modified analogs, nucleoside cyclic diphosphates, and nucleoside diphosphate conjugates, will be described. Copyright © 2015 Elsevier Ltd. All rights reserved.

  3. Chemical protein synthesis: Inventing synthetic methods to decipher how proteins work.

    Science.gov (United States)

    Kent, Stephen

    2017-09-15

    Total chemical synthesis of proteins has been rendered practical by the chemical ligation principle: chemoselective condensation of unprotected peptide segments equipped with unique, mutually reactive functional groups, enabled by formation of a non-native replacement for the peptide bond. Ligation chemistries are briefly described, including native chemical ligation - thioester-mediated, amide-forming reaction at Xaa-Cys sites - and its extensions. Case studies from the author's own works are used to illustrate the utility and applications of chemical protein synthesis. Selected recent developments in the field are briefly discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Exploring experimental fitness landscapes for chemical synthesis and property optimization.

    Science.gov (United States)

    Tibbetts, Katharine Moore; Feng, Xiao-Jiang; Rabitz, Herschel

    2017-02-08

    Optimization is a central goal in the chemical sciences, encompassing diverse objectives including synthesis yield, catalytic activity of a material, and binding efficiency of a molecule to a target protein. Considering the enormous size of chemical space and the expected large numbers of experiments necessary to search through it in any particular application, optimization in chemistry is surprisingly efficient. This good fortune has recently been explained by analysis of the fitness landscape, i.e., the functional relationship between a target objective J (e.g., percent yield, catalytic activity) and a suitable set of variables (e.g., resources such as reactant concentrations and processing conditions). Mathematical analysis has demonstrated that, upon satisfaction of reasonable physical assumptions, the fitness landscape contains no local sub-optimal "traps" that preclude identification of the globally best value of J, in a development called the "OptiChem" theorem. One of the key assumptions behind the theorem is that sufficient resources are available to achieve the posed optimization goal. This work assesses the validity of this assumption underlying the OptiChem theorem through examination of experimental data from the recent literature. In order to explore fitness landscapes in high dimensions where the landscape cannot be visualized, a high dimensional model representation (HDMR) of experimental data is used to construct a model landscape amenable to topology assessment via gradient algorithm search. This method is shown to correctly capture the trap-free topology of a four-dimensional landscape where the objective is to optimize the composition of a solid state material (subject to an elemental mole-fraction constraint) for catalytic activity towards the oxygen evolution reaction. Analysis of a six-dimensional landscape for the objective of maximizing the photoluminescence of rare-earth solid state materials subject to two elemental mole

  5. Catalysis for biomass and CO2 use through solar energy: opening new scenarios for a sustainable and low-carbon chemical production.

    Science.gov (United States)

    Lanzafame, Paola; Centi, Gabriele; Perathoner, Siglinda

    2014-11-21

    The use of biomass, bio-waste and CO2 derived raw materials, the latter synthesized using H2 produced using renewable energy sources, opens new scenarios to develop a sustainable and low carbon chemical production, particularly in regions such as Europe lacking in other resources. This tutorial review discusses first this new scenario with the aim to point out, between the different possible options, those more relevant to enable this new future scenario for the chemical production, commenting in particular the different drivers (economic, technological and strategic, environmental and sustainability and socio-political) which guide the selection. The case of the use of non-fossil fuel based raw materials for the sustainable production of light olefins is discussed in more detail, but the production of other olefins and polyolefins, of drop-in intermediates and other platform molecules are also analysed. The final part discusses the role of catalysis in establishing this new scenario, summarizing the development of catalysts with respect to industrial targets, for (i) the production of light olefins by catalytic dehydration of ethanol and by CO2 conversion via FTO process, (ii) the catalytic synthesis of butadiene from ethanol, butanol and butanediols, and (iii) the catalytic synthesis of HMF and its conversion to 2,5-FDCA, adipic acid, caprolactam and 1,6-hexanediol.

  6. An Efficient, Green Chemical Synthesis of the Malaria Drug ...

    African Journals Online (AJOL)

    Purpose: To provide a robust, efficient synthesis of the malaria drug piperaquine for potential use in resource-poor settings. Methods: We used in-process analytical technologies (IPAT; HPLC) and a program of experiments to develop a synthesis of piperaquine that avoids the presence of a toxic impurity in the API and is ...

  7. A statistical view of protein chemical synthesis using NCL and extended methodologies.

    Science.gov (United States)

    Agouridas, Vangelis; El Mahdi, Ouafâa; Cargoët, Marine; Melnyk, Oleg

    2017-09-15

    Native chemical ligation and extended methodologies are the most popular chemoselective reactions for protein chemical synthesis. Their combination with desulfurization techniques can give access to small or challenging proteins that are exploited in a large variety of research areas. In this report, we have conducted a statistical review of their use for protein chemical synthesis in order to provide a flavor of the recent trends and identify the most popular chemical tools used by protein chemists. To this end, a protein chemical synthesis (PCS) database (http://pcs-db.fr) was created by collecting a set of relevant data from more than 450 publications covering the period 1994-2017. A preliminary account of what this database tells us is presented in this report. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Sustainable chemical processing and energy-carbon dioxide management: review of challenges and opportunities

    DEFF Research Database (Denmark)

    Vooradi, Ramsagar; Bertran, Maria-Ona; Frauzem, Rebecca

    2017-01-01

    This paper presents a brief review of the available energy sources for consumption, their effects in terms of CO2-emission and its management, and sustainable chemical processing where energy-consumption, CO2-emission, as well as economics and environmental impacts are considered. Not all availab...... are presented. These examples highlight issues of energy sustainable design, energy-CO2 neutral design, energy-retrofit design,and energy-process intensification. Finally, some perspectives on the status and future directions of carbon dioxide management are given....

  9. A process synthesis-intensification framework for the development of sustainable membrane-based operations

    DEFF Research Database (Denmark)

    Babi, Deenesh Kavi; Lutze, Philip; Woodley, John

    2014-01-01

    is synthesized through the sequencing of unit operations and subsequently analyzed for identifying process hot-spots using economic, life cycle and sustainability metrics. These hot-spots are limitations/bottlenecks associated with tasks that may be targeted for overall process improvement. At the second level...... (task-scale) a task-based synthesis method is applied where one or more tasks representing unit operations are identified and analyzed in terms of means-ends for generating intensified flowsheet alternatives. At the third level (phenomena-scale) a phenomena-based synthesis method is applied, where...... the involved phenomena in various tasks are identified, manipulated and recombined to generate new and/or existing unit operations configured into flowsheet alternatives that target the tasks associated with hot-spots. Every lower-scale or higher-level, generates more alternatives than their corresponding...

  10. Design, Synthesis and Characterization of Novel Graphene-Based Nanoarchitectures for Sustainability

    Science.gov (United States)

    Bay, Hamed Hosseini

    The unique structure and properties of graphene initiated broad fundamental and technological research in recent years, and highlighted graphene as an alternative for various applications such as energy storage and nanoelectronics. Chemical vapor deposition (CVD) of graphene on copper is believed to be the most promising method for large-scale synthesis of continuous sheets. The exceptional properties of graphene however, are governed by its microstructure. The size of graphene grains and the grain boundaries affect the carrier mobility. Therefore understanding the formation mechanism of graphene is critical to control the microstructure and physical properties. We implemented Fluorescence Quenching Microscopy (FQM) in conjunction with other methods to understand a trend which is pertinent in large-scale. In order to investigate the nucleation and growth mechanism of graphene on copper and its subsequent microstructure, effect of key parameters such as density of defects in copper foils and growth pressure in the CVD chamber have been altered. Results point out that microstructure of copper regulates the structure and properties of graphene and heat treatment and electropolishing of the foil substrates as well as controlling the saturation pressure of the carbon precursor yield to large graphene domains. Water decontamination and oil/water separation are principal motives in the surge to develop novel means for sustainability. In this prospect, supplying clean water for the ecosystems is as important as the recovery of the oil spills since the supplies are scarce. Inspired to design an engineering material which not only serves this purpose, but can also be altered for other applications to preserve natural resources, a facile template-free process is suggested to fabricate a superporous, superhydrophobic graphene-based sponge. Moreover, the process is designed to be inexpensive and scalable. The fabricated sponge can be used to clean up different types of oil

  11. Exposure to chemicals in food packaging as a sustainability trade-off in LCA

    DEFF Research Database (Denmark)

    Ernstoff, Alexi; Muncke, Jane; Trier, Xenia

    2016-01-01

    packaging in a life cycle impact assessment (LCIA) framework. To put exposure during use in a life cycle context we perform a screening-level LCA of several life cycle stages of high impact polystyrene packaging (HIPS), with a functional unit of containing and delivering one kilogram of yogurt......Hazardous chemicals in packaging, including ‘eco-friendly’ and recycled food packaging, can migrate into food and expose humans. LCA has been fundamental to indicate more ‘eco-friendly’ packages, but currently LCA does not consider exposure to chemical migrants and methods have not yet been...... developed. In this study we question if exposure to chemicals in food packaging should be considered as a sustainable design consideration, i.e. if this human health risk is relevant in a life cycle context. To answer this question, we focus on developing methods to quantify exposure to chemicals in food...

  12. Achieving More Sustainable Designs through a Process Synthesis-Intensification Framework

    DEFF Research Database (Denmark)

    Babi, Deenesh Kavi; Woodley, John; Gani, Rafiqul

    2014-01-01

    More sustainable process designs refer to design alternatives that correspond to lowervalues of a set of targeted performance criteria. In this paper, a multi-level frameworkfor process synthesis-intensification that leads to more sustainable process designs ispresented. At the highest level...... of aggregation, process flowsheets are synthesized interms of a sequence of unit operations that correspond to acceptable values for a set oftargeted performance criteria. This defines the upper-bound of the performance criteriaand the design is called the base-case design. At the next lower level, tasks...... representingunit operations are identified and analysedin terms of means-ends to find moreflowsheet alternatives that improve the base-case design and correspond to lower valuesof the set of targeted performance criteria. Atthe lowest level, phenomena employed toperform the specific tasks areidentified...

  13. A Combined Heuristic and Indicator-based Methodology for Design of Sustainable Chemical Process Plants

    DEFF Research Database (Denmark)

    Halim, Iskandar; Carvalho, Ana; Srinivasan, Rajagopalan

    2011-01-01

    The current emphasis on sustainable production has prompted chemical plants to minimize raw material and energy usage without compromising on economics. While computer tools are available to assistin sustainability assessment, their applications are constrained to a specific domain of the design......, and high-lights trade-offs between environmental and economic objectives. This is complemented by SustainPro which evaluates the alternatives and screens them in-depth through indicators for profit and energy, water, and raw material usage. This results in accurate identification of the root causes......, comprehensive generation of design alternatives, and effective reduction of the optimization search space. The frame-work is illustrated using anacetone process and a methanol and dimethyl ether production case study....

  14. ElectroChemical Arsenic Removal (ECAR) for Rural Bangladesh--Merging Technology with Sustainable Implementation

    Energy Technology Data Exchange (ETDEWEB)

    Addy, Susan E.A.; Gadgil, Ashok J.; Kowolik, Kristin; Kostecki, Robert

    2009-12-01

    Today, 35-77 million Bangladeshis drink arsenic-contaminated groundwater from shallow tube wells. Arsenic remediation efforts have focused on the development and dissemination of household filters that frequently fall into disuse due to the amount of attention and maintenance that they require. A community scale clean water center has many advantages over household filters and allows for both chemical and electricity-based technologies to be beneficial to rural areas. Full cost recovery would enable the treatment center to be sustainable over time. ElectroChemical Arsenic Remediation (ECAR) is compatible with community scale water treatment for rural Bangladesh. We demonstrate the ability of ECAR to reduce arsenic levels> 500 ppb to less than 10 ppb in synthetic and real Bangladesh groundwater samples and examine the influence of several operating parameters on arsenic removal effectiveness. Operating cost and waste estimates are provided. Policy implication recommendations that encourage sustainable community treatment centers are discussed.

  15. An efficient chemical synthesis of nicotinamide riboside (NAR) and analogues.

    Science.gov (United States)

    Tanimori, Shinji; Ohta, Takeshi; Kirihata, Mitsunori

    2002-04-22

    A simple and efficient synthesis of nicotinamide riboside (NAR) 1 and derivatives 4 and 5 via trimethylsilyl trifluoromethanesulfonate (TMSOTf)-mediated N-glycosilation followed by spontaneous deacetylation by treating with methanol is reported.

  16. Synthesis of New Vinyl Monomers for Chemical Agent Sensing Applications

    National Research Council Canada - National Science Library

    Hogen-Esch, Thieo

    2001-01-01

    The synthesis of styrene momomer p-vinylbenzoylacetophenone (monomer i) has been carried by the acetylation of 2- chloroethylbenzene and base elimination of the resulting 4-acetyl-2-chloroethylbenzene to give 4-acetylstyrene...

  17. A Method for Sustainable Carbon Dioxide Utilization Process Synthesis and Design

    DEFF Research Database (Denmark)

    Frauzem, Rebecca; Fjellerup, Kasper; Roh, Kosan

    As a result of increasing regulations and concern about the impact of greenhouse gases on the environment, carbon dioxide (CO2) emissions are a primary focus for reducing emissions and improving global sustainability. One method to achieve reduced emissions, is the conversion of CO2 to useful...... compounds via chemical reactions. However, conversion is still in its infancy and requires work for implementation at an industrial level. One aspect of this is the development of a methodology for the formulation and optimization of sustainable conversion processes. This methodology follows three stages...... also been performed for various case studies. These case studies include multiple pathways for the production of methanol and the production of dimethyl carbonate (DMC). From detailed design and analysis, CO2 conversion processes show promise as an additional method for the sustainable reduction of CO2...

  18. Hydrothermal Liquefaction Enhanced by Various Chemicals as a Means of Sustainable Dairy Manure Treatment

    Directory of Open Access Journals (Sweden)

    Junying Chen

    2018-01-01

    Full Text Available Because of the increase in concentrated animal feeding operations, there is a growing interest in sustainable manure management. In this study, hydrothermal liquefaction (HTL of dairy manure enhanced by various chemicals (NH3·H2O, H3PO4, and glycerol was proposed as a sustainable alternative for the dairy manure management. The applications of NH3·H2O and H3PO4 during HTL could significantly enhance the production of liquid chemicals. The addition of NH3·H2O or glycerol increased the amounts of non-polar toluene, xylene, and other benzene-contained compounds, while the use of H3PO4 produced high amounts of acids, pyridine, 3-methyl-pyridine, 2,6-dimethyl-pyrazine, 2-cyclopenten-1-ones, and phenols. The biochars produced via HTL showed a significant increase in the surface area/pore volume and relatively higher N, P, C, and other minerals, and may serve as a good soil amendment and nutrient source. The preliminary energy analyses showed that the energy consumption of this process might be reduced to 50% of the original energy content of the feedstock, and the energy payback period was about 3.5 years. Combining all advantages, HTL of dairy manure might increase the sustainability of the farming operation via producing energy products, fine chemicals, and biochars.

  19. A new synthesis route for sustainable gold copper utilization in direct formic acid fuel cells

    OpenAIRE

    Oseghale, C.I.; Abdalla, A.H.; Posada, J.O.G.; Hall, P. J.

    2016-01-01

    In the efforts to develop a more sustainable energy mix there is an urgent need to develop new materials for environmentally friendly processes. Developing low metal loading anode catalyst with high electrocatalytic activity for liquid fuel cells remains a great challenge. Polyvinylpyrrolodoneprotected AuCu-C core-shell was fabricated by a facile one-pot modified chemical reduction method. The nanoparticles were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM),...

  20. Total synthesis approaches to natural product derivatives based on the combination of chemical synthesis and metabolic engineering.

    Science.gov (United States)

    Kirschning, Andreas; Taft, Florian; Knobloch, Tobias

    2007-10-21

    Secondary metabolites are an extremely diverse and important group of natural products with industrial and biomedical implications. Advances in metabolic engineering of both native and heterologous secondary metabolite producing organisms have allowed the directed synthesis of desired novel products by exploiting their biosynthetic potentials. Metabolic engineering utilises knowledge of cellular metabolism to alter biosynthetic pathways. An important technique that combines chemical synthesis with metabolic engineering is mutasynthesis (mutational biosynthesis; MBS), which advanced from precursor-directed biosynthesis (PDB). Both techniques are based on the cellular uptake of modified biosynthetic intermediates and their incorporation into complex secondary metabolites. Mutasynthesis utilises genetically engineered organisms in conjunction with feeding of chemically modified intermediates. From a synthetic chemist's point of view the concept of mutasynthesis is highly attractive, as the method combines chemical expertise with Nature's synthetic machinery and thus can be exploited to rapidly create small libraries of secondary metabolites. However, in each case, the method has to be critically compared with semi- and total synthesis in terms of practicability and efficiency. Recent developments in metabolic engineering promise to further broaden the scope of outsourcing chemically demanding steps to biological systems.

  1. Facile chemical synthesis and equilibrium unfolding properties of CopG

    OpenAIRE

    Wales, Thomas E.; Richardson, Jane S.; Fitzgerald, Michael C.

    2004-01-01

    The 45-amino acid polypeptide chain of the homodimeric transcriptional repressor, CopG, was chemically synthesized by stepwise solid phase peptide synthesis (SPPS) using a protocol based on Boc-chemistry. The product obtained from the synthesis was readily purified by reversed-phase HPLC to give a good overall yield (21% by weight). Moreover, the synthetic CopG constructs prepared in this work folded into three-dimensional structures similar to the wild-type protein prepared using conventiona...

  2. Molecular design, synthesis and evaluation of chemical biology tools

    NARCIS (Netherlands)

    Hoogenboom, Jorin

    2017-01-01

    Chapter 1 provides a perspective of synthetic organic chemistry as a discipline involved in the design, synthesis and evaluation of complex molecules. The reader is introduced with a brief history of synthetic organic chemistry, all the while dealing with different aspects of

  3. Chemical Synthesis of Complex Molecules Using Nanoparticle Catalysis

    OpenAIRE

    Cong, Huan; Porco, John A.

    2012-01-01

    Nanoparticle catalysis has emerged as an active topic in organic synthesis. Of particular interest is the development of enabling methodologies to efficiently assemble complex molecules using nanoparticle catalysis. This Viewpoint highlights recent developments and discusses future perspectives in this emerging field.

  4. Bio-electrochemical synthesis of commodity chemicals by ...

    Indian Academy of Sciences (India)

    Bio-electrochemical synthesis (BES) is a technique in which electro-autotrophic bacteria such as Clostridiumljungdahlii utilize electric currents as an electron source from the cathode to reduce CO_{2} to extracellular, multicarbon,exquisite products through autotrophic conversion. The BES of volatile fatty acids and alcohols ...

  5. An Efficient, Green Chemical Synthesis of the Malaria Drug ...

    African Journals Online (AJOL)

    Purpose: To provide a robust, efficient synthesis of the malaria drug piperaquine for potential use in resource-poor settings. Methods: We used .... South Africa is the only National Drug Regulatory. Agency in Sub-Saharan Africa currently ... achieve SRA status; and (3) to eliminate counterfeit and substandard medicines. We.

  6. Direct synthesis of nanocrystalline oxide powders by wet-chemical techniques

    Directory of Open Access Journals (Sweden)

    Vladimir V. Srdić

    2010-09-01

    Full Text Available In a recent period there is a great need for increasing the knowledge of tailoring the innovative procedures for the synthesis of electroceramic nanopowders and materials with improved quality for specific application. In order to produce electroceramics with desirable microstructure and properties, synthesis of stoichiometric, ultra-fine and agglomerate free powders with narrow size distributions is one of the most important steps. Within this scope, in the present paper we summarize our recent results on direct synthesis of some important perovskites and ferrites nanopowders by wet-chemical techniques.

  7. Studies on the synthesis of cerium activated yttrium aluminate phosphor by wet-chemical route

    Science.gov (United States)

    Popovici, Elisabeth-Jeanne; Stefan, Maria; Imre-Lucaci, Florica; Muresan, Laura; Bica, Ecaterina; Indrea, Emil; Barbu-Tudoran, Lucian

    2009-08-01

    The synthesis of cerium activated yttrium aluminum garnet Y 3Al5O12:Ce by the wet-chemical synthesis route is reported. Y-Ce-Al precursors were prepared using the reagent simultaneous addition technique SimAdd from Y-Al-Ce nitrate mixture and urea and subsequently transformed into phosphor samples. The influence of the thermal synthesis regime and flux on the phosphor quality was investigated in order to obtain Y 3Al5O12:Ce fine powders with pure cubic structure and quite good photoluminescent properties. Attempts has been made at establishing a correlation between luminescent properties and morpho-structural parameters of powders.

  8. Chemical Upcycling of Expired Drugs: Synthesis of Guaifenesin Acetonide

    Science.gov (United States)

    Barcena, Homar; Maziarz, Katarzyna

    2017-01-01

    In an effort to repurpose expired guaifenesin tablets, experiments devised for practical instruction are reported for the preparation and isolation of the guaifenesin acetonide using a microscale kit. The laboratory experiment successfully utilizes a waste chemical in lieu of a fine chemical to illustrate the principles behind protecting groups in…

  9. Implementing a Systematic Process for Rapidly Embedding Sustainability within Chemical Engineering Education: A Case Study of James Cook University, Australia

    Science.gov (United States)

    Sheehan, Madoc; Schneider, Phil; Desha, Cheryl

    2012-01-01

    Sustainability has emerged as a primary context for engineering education in the 21st Century, particularly the sub-discipline of chemical engineering. However, there is confusion over how to go about integrating sustainability knowledge and skills systemically within bachelor degrees. This paper addresses this challenge, using a case study of an…

  10. Chemical synthesis of a dual branched malto-decaose: A potential substrate for alpha-amylases

    DEFF Research Database (Denmark)

    Damager, Iben; Jensen, Morten; Olsen, Carl Erik

    2005-01-01

    A convergent block strategy for general use in efficient synthesis of complex alpha-(1 -> 4)- and alpha-(1 -> 6)-malto-oligosaccharides is demonstrated with the first chemical synthesis of a malto-oligosaccharide, the decasoccharide 6,6""-bis(alpha-maltosyl)-maltohexaose, with two branch points....... Using this chemically defined branched oligosaccharide as a substrate, the cleavage pattern of seven different alpha-amylases were investigated. alpha-Amylases from human saliva, porcine pancreas, barley alpha-amylose 2 and recombinant barley alpha-amylase 1 all hydrolysed the decasaccharide selectively...

  11. Recent Applications of Alkene Metathesis in Fine Chemical Synthesis

    Science.gov (United States)

    Bicchielli, Dario; Borguet, Yannick; Delaude, Lionel; Demonceau, Albert; Dragutan, Ileana; Dragutan, Valerian; Jossifov, Christo; Kalinova, Radostina; Nicks, François; Sauvage, Xavier

    During the last decade or so, the emergence of the metathesis reaction in organic synthesis has revolutionised the strategies used for the construction of complex molecular structures. Olefin metathesis is indeed particularly suited for the construction of small open-chain molecules and macrocycles using crossmetathesis and ring-closing metathesis, respectively. These reactions serve, inter alia, as key steps in the synthesis of various agrochemicals and pharmaceuticals such as macrocyclic peptides, cyclic sulfonamides, novel macrolides, or insect pheromones. The present chapter is aiming at illustrating the great synthetic potential of metathesis reactions. Shortcomings, such as the control of olefin geometry and the unpredictable effect of substituents on the reacting olefins, will also be addressed. Examples to be presented include epothilones, amphidinolides, spirofungin A, and archazolid. Synthetic approaches involving silicon-tethered ring-closing metathesis, relay ring-closing metathesis, sequential reactions, domino as well as tandem metathesis reactions will also be illustrated.

  12. Synthesis, quantum chemical computations and x-ray ...

    African Journals Online (AJOL)

    The ligand oxime, C7H9N5O2, was Synthesis and characterises with different characterization methods such as 1H NMR and FTIR spectroscopy. The complexation of this ligand with manganese (II) perchlorate yielded pink crystals of formula [Mn (C7H9N5O2)2]2+, 2[ClO4]-, which crystallized in the monoclinic space group ...

  13. Marine Natural Products: Synthesis, Niche Environments, and Chemical Probes

    OpenAIRE

    Sanchez, Laura Margaret

    2012-01-01

    This dissertation describes various aspects of marine natural product chemistry from compound discovery and elucidation to the development of lead scaffolds, and ultimately the use of natural products to probe biological questions. A wide range of techniques are utilized including solid phase peptide synthesis, novel mass spectrometry methods, and vertebrate microbiota to explore the secondary metabolic potential of intestinal flora. In addition to these techniques, various whole cell and bac...

  14. “Miswak” Based Green Synthesis of Silver Nanoparticles: Evaluation and Comparison of Their Microbicidal Activities with the Chemical Synthesis

    Directory of Open Access Journals (Sweden)

    Mohammed Rafi Shaik

    2016-11-01

    Full Text Available Microbicidal potential of silver nanoparticles (Ag-NPs can be drastically improved by improving their solubility or wettability in the aqueous medium. In the present study, we report the synthesis of both green and chemical synthesis of Ag-NPs, and evaluate the effect of the dispersion qualities of as-prepared Ag-NPs from both methods on their antimicrobial activities. The green synthesis of Ag-NPs is carried out by using an aqueous solution of readily available Salvadora persica L. root extract (RE as a bioreductant. The formation of highly crystalline Ag-NPs was established by various analytical and microscopic techniques. The rich phenolic contents of S. persica L. RE (Miswak not only promoted the reduction and formation of NPs but they also facilitated the stabilization of the Ag-NPs, which was established by Fourier transform infrared spectroscopy (FT-IR analysis. Furthermore, the influence of the volume of the RE on the size and the dispersion qualities of the NPs was also evaluated. It was revealed that with increasing the volume of RE the size of the NPs was deteriorated, whereas at lower concentrations of RE smaller size and less aggregated NPs were obtained. During this study, the antimicrobial activities of both chemically and green synthesized Ag-NPs, along with the aqueous RE of S. persica L., were evaluated against various microorganisms. It was observed that the green synthesized Ag-NPs exhibit comparable or slightly higher antibacterial activities than the chemically obtained Ag-NPs.

  15. "Miswak" Based Green Synthesis of Silver Nanoparticles: Evaluation and Comparison of Their Microbicidal Activities with the Chemical Synthesis.

    Science.gov (United States)

    Shaik, Mohammed Rafi; Albalawi, Ghadeer H; Khan, Shams Tabrez; Khan, Merajuddin; Adil, Syed Farooq; Kuniyil, Mufsir; Al-Warthan, Abdulrahman; Siddiqui, Mohammed Rafiq H; Alkhathlan, Hamad Z; Khan, Mujeeb

    2016-11-06

    Microbicidal potential of silver nanoparticles (Ag-NPs) can be drastically improved by improving their solubility or wettability in the aqueous medium. In the present study, we report the synthesis of both green and chemical synthesis of Ag-NPs, and evaluate the effect of the dispersion qualities of as-prepared Ag-NPs from both methods on their antimicrobial activities. The green synthesis of Ag-NPs is carried out by using an aqueous solution of readily available Salvadora persica L. root extract (RE) as a bioreductant. The formation of highly crystalline Ag-NPs was established by various analytical and microscopic techniques. The rich phenolic contents of S. persica L. RE (Miswak) not only promoted the reduction and formation of NPs but they also facilitated the stabilization of the Ag-NPs, which was established by Fourier transform infrared spectroscopy (FT-IR) analysis. Furthermore, the influence of the volume of the RE on the size and the dispersion qualities of the NPs was also evaluated. It was revealed that with increasing the volume of RE the size of the NPs was deteriorated, whereas at lower concentrations of RE smaller size and less aggregated NPs were obtained. During this study, the antimicrobial activities of both chemically and green synthesized Ag-NPs, along with the aqueous RE of S. persica L., were evaluated against various microorganisms. It was observed that the green synthesized Ag-NPs exhibit comparable or slightly higher antibacterial activities than the chemically obtained Ag-NPs.

  16. Upgrading of lignocellulosic biorefinery to value-added chemicals: Sustainability and economics of bioethanol-derivatives

    DEFF Research Database (Denmark)

    Cheali, Peam; Posada, John A.; Gernaey, Krist

    2015-01-01

    of operating profit for biorefineries producing bioethanol-derived chemicals (247 MM$/a and 241 MM$/a for diethyl ether and 1,3-butadiene, respectively). Second, the optimal designs for upgrading bioethanol (i.e. production of 1,3-butadiene and diethyl ether) performed also better with respect...... to sustainability compared with the petroleum-based processes. In both cases, the effects of the market price uncertainties were also analyzed by performing quantitative economic risk analysis and presented a significant risk of investment for a lignocellulosic biorefinery (12 MM$/a and 92 MM$/a for diethyl ether...

  17. Sustainable synthesis of silver nanoparticles using macroalgae Spirogyra varians and analysis of their antibacterial activity

    Directory of Open Access Journals (Sweden)

    Zeinab Salari

    2016-07-01

    Full Text Available In this research, silver nanoparticles (SNPs were synthesized through bio-reduction of silver ions using the Spirogyra varians. The procedure used is simple and sustainable making it suitable for economic production of SNPs. The structure and morphology of SNPs were characterized by UV–visible spectroscopy, X-ray diffraction (XRD pattern, scanning electron microscopy (SEM and Fourier Transform Infra-Red (FTIR. These nanoparticles indicated an absorption peak at 430 nm in the UV–visible spectrum. The crystallite average size was estimated about 17.6 nm and SEM image confirmed synthesis of relatively uniform nanoparticles. The antibacterial effect of SNPs was also tested on several micro-organisms by measuring the inhibition zone, MIC and MBC. The results confirmed that SNPs can act as a powerful antibacterial agent against various pathogenic bacteria.

  18. Towards "AlphaChem": Chemical Synthesis Planning with Tree Search and Deep Neural Network Policies

    OpenAIRE

    Segler, Marwin; Preuß, Mike; Waller, Mark P.

    2017-01-01

    Retrosynthesis is a technique to plan the chemical synthesis of organic molecules, for example drugs, agro- and fine chemicals. In retrosynthesis, a search tree is built by analysing molecules recursively and dissecting them into simpler molecular building blocks until one obtains a set of known building blocks. The search space is intractably large, and it is difficult to determine the value of retrosynthetic positions. Here, we propose to model retrosynthesis as a Markov Decision Process. I...

  19. Green chemical synthesis of silver nanomaterials with maltodextrin.

    Energy Technology Data Exchange (ETDEWEB)

    Tallant, David Robert; Lu, Ping; Lambert, Timothy N.; Bell, Nelson Simmons

    2010-11-01

    Silver nanomaterials have significant application resulting from their optical properties related to surface enhanced Raman spectroscopy, high electrical conductivity, and anti-microbial impact. A 'green chemistry' synthetic approach for silver nanomaterials minimizes the environmental impact of silver synthesis, as well as lowers the toxicity of the reactive agents. Biopolymers have long been used for stabilization of silver nanomaterials during synthesis, and include gum Arabic, heparin, and common starch. Maltodextrin is a processed derivative of starch with lower molecular weight and an increase in the number of reactive reducing aldehyde groups, and serves as a suitable single reactant for the formation of metallic silver. Silver nanomaterials can be formed under either a thermal route at neutral pH in water or by reaction at room temperature under more alkaline conditions. Deposited silver materials are formed on substrates from near neutral pH solutions at low temperatures near 50 C. Experimental conditions based on material concentrations, pH and reaction time are investigated for development of deposited films. Deposit morphology and optical properties are characterized using SEM and UV-vis techniques. Silver nanoparticles are generated under alkaline conditions by a dissolution-reduction method from precipitated silver (II) oxide. Synthesis conditions were explored for the rapid development of stable silver nanoparticle dispersions. UV-vis absorption spectra, powder X-ray diffraction (PXRD), dynamic light scattering (DLS), and transmission electron microscopy (TEM) techniques were used to characterize the nanoparticle formation kinetics and the influence of reaction conditions. The adsorbed content of the maltodextrin was characterized using thermogravimetric analysis (TGA).

  20. Trophic magnification of organic chemicals: A global synthesis

    Science.gov (United States)

    Walters, W. David; Jardine, T.D.; Cade, Brian S.; Kidd, K.A.; Muir, D.C.G.; Leipzig-Scott, Peter C.

    2016-01-01

    Production of organic chemicals (OCs) is increasing exponentially, and some OCs biomagnify through food webs to potentially toxic levels. Biomagnification under field conditions is best described by trophic magnification factors (TMFs; per trophic level change in log-concentration of a chemical) which have been measured for more than two decades. Syntheses of TMF behavior relative to chemical traits and ecosystem properties are lacking. We analyzed >1500 TMFs to identify OCs predisposed to biomagnify and to assess ecosystem vulnerability. The highest TMFs were for OCs that are slowly metabolized by animals (metabolic rate kM  0.2 day–1). This probabilistic model provides a new global tool for screening existing and new OCs for their biomagnification potential.

  1. Catalytic oxidation of biorefinery lignin to value-added chemicals to support sustainable biofuel production.

    Science.gov (United States)

    Ma, Ruoshui; Xu, Yan; Zhang, Xiao

    2015-01-01

    Transforming plant biomass to biofuel is one of the few solutions that can truly sustain mankind's long-term needs for liquid transportation fuel with minimized environmental impact. However, despite decades of effort, commercial development of biomass-to-biofuel conversion processes is still not an economically viable proposition. Identifying value-added co-products along with the production of biofuel provides a key solution to overcoming this economic barrier. Lignin is the second most abundant component next to cellulose in almost all plant biomass; the emerging biomass refinery industry will inevitably generate an enormous amount of lignin. Development of selective biorefinery lignin-to-bioproducts conversion processes will play a pivotal role in significantly improving the economic feasibility and sustainability of biofuel production from renewable biomass. The urgency and importance of this endeavor has been increasingly recognized in the last few years. This paper reviews state-of-the-art oxidative lignin depolymerization chemistries employed in the papermaking process and oxidative catalysts that can be applied to biorefinery lignin to produce platform chemicals including phenolic compounds, dicarboxylic acids, and quinones in high selectivity and yield. The potential synergies of integrating new catalysts with commercial delignification chemistries are discussed. We hope the information will build on the existing body of knowledge to provide new insights towards developing practical and commercially viable lignin conversion technologies, enabling sustainable biofuel production from lignocellulosic biomass to be competitive with fossil fuel. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. A wet-chemical approach to perovskite and fluorite-type nanoceramics: synthesis and processing

    NARCIS (Netherlands)

    Veldhuis, Sjoerd

    2015-01-01

    In thesis the low-temperature, wet-chemical approach to various functional inorganic oxide materials is described. The main focus of this research is to control the material’s synthesis from liquid precursor to metal oxide powder or thin film; while understanding its formation mechanism. In

  3. Interdisciplinary Learning for Chemical Engineering Students from Organic Chemistry Synthesis Lab to Reactor Design to Separation

    Science.gov (United States)

    Armstrong, Matt; Comitz, Richard L.; Biaglow, Andrew; Lachance, Russ; Sloop, Joseph

    2008-01-01

    A novel approach to the Chemical Engineering curriculum sequence of courses at West Point enabled our students to experience a much more realistic design process, which more closely replicated a real world scenario. Students conduct the synthesis in the organic chemistry lab, then conduct computer modeling of the reaction with ChemCad and…

  4. Modeling and Experimental Studies on Phase and Chemical Equilibria in High-Pressure Methanol Synthesis

    NARCIS (Netherlands)

    van Bennekom, Joost G.; Winkelman, Jozef G. M.; Venderbosch, Robertus H.; Nieland, Sebastiaan D. G. B.; Heeres, Hero J.

    2012-01-01

    A solution method was developed to calculate the simultaneous phase and chemical equilibria in high-pressure methanol synthesis (P = 20 MPa, 463

  5. Comparison between ZnO nanowires grown by chemical vapor deposition and hydrothermal synthesis

    Science.gov (United States)

    Podrezova, L. V.; Porro, S.; Cauda, V.; Fontana, M.; Cicero, G.

    2013-11-01

    Vertically aligned zinc oxide nanowires (NWs) were synthesized by two different techniques: chemical vapor deposition (CVD) and hydrothermal synthesis. To compare the effects of different growth conditions, both F-doped SnO2 (FTO) coated-glass and silicon wafers were used as substrates. Before NWs growth, all the substrates were covered with a ZnO seed layer film obtained with the same procedure, which acts as nucleation site for the subsequent growth of the nanowires both during CVD and hydrothermal synthesis. We studied the influence of the two synthesis techniques and the growth duration on the final morphology, orientation, and density of the ZnO NWs using electron microscopy and X-ray diffraction, while the NWs optical quality was addressed by UV-Vis spectroscopy. By discussing advantages and disadvantages of both synthesis methods, we finally show that the application purpose often drives the choice of the NWs growth process and the substrate to be used.

  6. Synthesis and chemical etching of Te/C nanocables

    Indian Academy of Sciences (India)

    adjusting time of chemical etching. These carbonaceous nano- tubes kept the lengths of the original Te/C nanocables and the sizes of the shell. Acknowledgement. The authors gratefully acknowledge the support of. Heilongjiang Higher Education Science and Technology. Innovation Team Construction Project. References.

  7. Influence of hydrogen on chemical vapour synthesis of different ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. The role of hydrogen in the catalytic chemical vapour deposition of carbon nanotubes using sputtered nickel thin film as a catalyst is explained in this work. The growth of different carbon nanostruc- tures with the variation in the precursor gas content was studied by keeping all other process parameters constant ...

  8. Synthesis and Physico-chemical studies of a new non ...

    Indian Academy of Sciences (India)

    Z Aloui1 V Ferretti2 S Abid1 M Rzaigui1 C Ben Nasr1. Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, Zarzouna 7021, Tunisie; Department of Chemical and Pharmaceutical Sciences and Center for Structural Diffractometry, via Fossato di Mortara 17, I-44121 Ferrara, Italy ...

  9. Multiphase microfluidics: from flow characteristics to chemical and materials synthesis.

    Science.gov (United States)

    Günther, Axel; Jensen, Klavs F

    2006-12-01

    We review transport characteristics of pressure-driven, multiphase flows through microchannel networks tens of nanometres to several hundred of micrometres wide with emphasis on conditions resulting in enhanced mixing and reduced axial dispersion. Dimensionless scaling parameters useful in characterizing multiphase flows are summarized along with experimental flow visualization techniques. Static and dynamic stability considerations are also included along with methods for stabilizing multiphase flows through surface modifications. Observed gas-liquid and immiscible liquid-liquid flows are summarized in terms of flow regime diagrams and the different flows are related to applications in chemistry and materials synthesis. Means to completely separate multiphase flows on the microscale and guidelines for design of scalable multiphase systems are also discussed.

  10. Synthesis and testing of hypergolic ionic liquids for chemical propulsion

    Science.gov (United States)

    Stovbun, S. V.; Shchegolikhin, A. N.; Usachev, S. V.; Khomik, S. V.; Medvedev, S. P.

    2017-06-01

    Synthesis of new highly energetic ionic liquids (ILs) is described, and their hypergolic ignition properties are tested. The synthesized ILs combine the advantages of conventional rocket propellants with the energy characteristics of acetylene derivatives. To this end, N-alkylated imidazoles (alkyl = ethyl, butyl) have been synthesized and alkylated with propargyl bromide. The desired ionic liquids have been produced by metathesis using Ag dicyanamide. Modified hypergolic drop tests with white fuming nitric acid have been performed for N-ethyl (IL-1) and N-butyl propargylimidazolium (IL-2) ionic liquids. In the modified drop tests, high-speed shadowgraph imaging is used to visualize the process, and the temperature rise due to ignition is monitored with a two-color photodetector. It is shown that the ignition delay is shorter for IL-1 as compared to IL-2. The ignition of IL-1 occurs in two stages, whereas the combustion of IL-2 proceeds smoothly without secondary flashes.

  11. Environmental Emissions from Chemical Etching Synthesis of Silicon Nanotube for Lithium Ion Battery Applications

    Directory of Open Access Journals (Sweden)

    Lulu Ma

    2018-02-01

    Full Text Available Silicon nanotubes (SiNTs have been researched as a promising anode material to replace graphite in next-generation lithium ion batteries. Chemical etching synthesis of SiNTs is a simple, controllable and scalable process for SiNT fabrication, but the environmental emissions are of grave concern. In this paper, the process emissions from chemical etching synthesis of SiNTs as anode for lithium ion batteries is studied through experimental techniques, considering the categories of aqueous wastes, gaseous emissions, aqueous nano-particle emissions, and gaseous aerosol emissions. The synthesized SiNTs are measured at 10 μm length and 1–2.2 μm diameter, and can maintain a specific capacity of over 800 mAh/g after 100 cycles in battery testing. In aqueous waste, the chemical compositions of all elements participating in the chemical etching are experimentally determined, with AgNO3 and Co(NO32 identified as the major pollutants. The only gaseous emission generated from the chemical etching synthesis process is H2, with 0.0088 ± 0.0002 mol H2 generated to produce 1.0 mg SiNTs. The aqueous nanoparticle sizes are found to be between 250 nm and 1540 nm. A large number of aerosol nanoparticle emissions of up to 2.96 × 107 particles/cm3 are detected through in situ experimental measurement.

  12. Procafd: Computer Aided Tool for Synthesis-Design & Analysis of Chemical Process Flowsheets

    DEFF Research Database (Denmark)

    Kumar Tula, Anjan; Eden, Mario R.; Gani, Rafiqul

    2015-01-01

    unit operations (reactor, distillation, flash, crystallization, etc.), bonds representing streams and/or recycles, rules for chemical feasibility also representing process flowsheet feasibility and sum of group contributions representing the performance of the flowsheet. In the next stage, the design......In practice, chemical process synthesis-design involves identification of the processing route to reach a desired product from a specified set of raw materials, design of the operations involved in the processing route, the calculations of utility requirements, the calculations of waste...... of mathematical programming techniques, (c) hybrid approach which combine two or more approaches. D’Anterroches [3] proposed a group contribution based hybrid approach to solve the synthesis-design problem where, chemical process flowsheets could be synthesized in the same way as atoms or groups of atoms...

  13. Microwave assisted synthesis of polymer via bioplatform chemical intermediate derived from Jatropha deoiled seed cake

    Directory of Open Access Journals (Sweden)

    B.S. Surendra

    2017-09-01

    Full Text Available We report on a two-step catalytic process, where deoiled seed cake as a feed was rapidly depolymerized and converted to a chemical intermediate under mild conditions, and a polymer compound was subsequently synthesized in the presence of an initiator under microwave irradiation. 5-Hydroxymethylfurfural (5-HMF is a significant chemical intermediate compound synthesized from a deoiled Jatropha seed cake under microwave irradiation in the presence of a heterogeneous acid activated Bentonite catalyst. This compound is suitable for the synthesis of polymers. Our study reveals that the synthesis process is an energy-efficient and cost-effective conversion of the deoiled seed cake into the polymer compound through the bioplatform chemical intermediate. The synthesized material was well characterized, confirming the formation and structures of the prepared catalysts.

  14. Chemical Synthesis and Characterization of an Equinatoxin II(1–85 Analogue

    Directory of Open Access Journals (Sweden)

    John A. Karas

    2017-03-01

    Full Text Available The chemical synthesis of an 85 residue analogue of the pore-forming protein, Equinatoxin II (EqtII, was achieved. Peptide precursors with over 40 residues were assembled by solid phase synthesis. The EqtII(1–46 fragment was modified to the reactive C-terminal thioester and native chemical ligation was performed with the A47C mutated EqtII(47–85 peptide to form the EqtII(1–85 analogue. Circular dichroism spectroscopy indicated that the N-terminal domain of EqtII(1–46 and EqtII(1–85 maintains predominantly an α-helical structure in solution and also in the presence of lipid micelles. This demonstrates the feasibility of assembling the full 179 residue protein EqtII via chemical means. Site-specific isotopic labels could be incorporated for structural studies in membranes by solid-state NMR spectroscopy.

  15. Possibilities for recovery and prospects of the Serbian chemical industry in the light of sustainable development

    Directory of Open Access Journals (Sweden)

    Đukić Petar M.

    2014-01-01

    such as food, construction, energy, and many others, from the medium technologies domain, as well as those from the high technologies domain, such as bio-medical, pharmaceutical or cosmetic technologies. In such manner, the participation of chemical industry in the re-industrialisation of Serbia should not be observed only as a contribution to the recovery of industry, but as a factor of sustainable development in all its components, economic, social and ecological.

  16. DESIGN, SYNTHESIS, AND APPLICATION OF THE TRIMETHOPRIM-BASED CHEMICAL TAG FOR LIVE CELL IMAGING

    Science.gov (United States)

    Jing, Chaoran; Cornish, Virginia W.

    2013-01-01

    Over the past decade chemical tags have been developed to complement the use of fluorescent proteins in live cell imaging. Chemical tags retain the specificity of protein labeling achieved with fluorescent proteins through genetic encoding, but provide smaller, more robust tags and modular use of organic fluorophores with high photon-output and tailored functionalities. The trimethoprim-based chemical tag (TMP-tag) was initially developed based on the high affinity interaction between E.coli dihydrofolatereductase and the antibiotic trimethoprim and subsequently rendered covalent and fluorogenic via proximity-induced protein labeling reactions. To date, the TMP-tag is one of the few chemical tags that enable intracellular protein labeling and high-resolution live cell imaging. Here we describe the general design, chemical synthesis, and application of TMP-tag for live cell imaging. Alternative protocols for synthesizing and using the covalent and the fluorogenic TMP-tags are also included. PMID:23839994

  17. Chemoenzymatic Synthesis and Chemical Recycling of Poly(ester-urethanes

    Directory of Open Access Journals (Sweden)

    Hiroto Hayashi

    2011-08-01

    Full Text Available Novel poly(ester-urethanes were prepared by a synthetic route using a lipase that avoids the use of hazardous diisocyanate. The urethane linkage was formed by the reaction of phenyl carbonate with amino acids and amino alcohols that produced urethane-containing diacids and hydroxy acids, respectively. The urethane diacid underwent polymerization with polyethylene glycol and a,w-alkanediols and also the urethane-containing hydroxy acid monomer was polymerized by the lipase to produce high-molecular-weight poly(ester-urethanes. The periodic introduction of ester linkages into the polyurethane chain by the lipase-catalyzed polymerization afforded chemically recyclable points. They were readily depolymerized in the presence of lipase into cyclic oligomers, which were readily repolymerized in the presence of the same enzyme. Due to the symmetrical structure of the polymers, poly(ester-urethanes synthesized in this study showed higher Tm, Young’s modulus and tensile strength values.

  18. Synthesis of mullite coatings by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Mulpuri, R.P.; Auger, M.; Sarin, V.K. [Boston Univ., MA (United States)

    1996-08-01

    Formation of mullite on ceramic substrates via chemical vapor deposition was investigated. Mullite is a solid solution of Al{sub 2}O{sub 3} and SiO{sub 2} with a composition of 3Al{sub 2}O{sub 3}{circ}2SiO{sub 2}. Thermodynamic calculations performed on the AlCl{sub 3}-SiCl{sub 4}-CO{sub 2}-H{sub 2} system were used to construct equilibrium CVD phase diagrams. With the aid of these diagrams and consideration of kinetic rate limiting factors, initial process parameters were determined. Through process optimization, crystalline CVD mullite coatings have been successfully grown on SiC and Si{sub 3}N{sub 4} substrates. Results from the thermodynamic analysis, process optimization, and effect of various process parameters on deposition rate and coating morphology are discussed.

  19. Use of Modern Chemical Protein Synthesis and Advanced Fluorescent Assay Techniques to Experimentally Validate the Functional Annotation of Microbial Genomes

    Energy Technology Data Exchange (ETDEWEB)

    Kent, Stephen [University of Chicago

    2012-07-20

    The objective of this research program was to prototype methods for the chemical synthesis of predicted protein molecules in annotated microbial genomes. High throughput chemical methods were to be used to make large numbers of predicted proteins and protein domains, based on microbial genome sequences. Microscale chemical synthesis methods for the parallel preparation of peptide-thioester building blocks were developed; these peptide segments are used for the parallel chemical synthesis of proteins and protein domains. Ultimately, it is envisaged that these synthetic molecules would be ‘printed’ in spatially addressable arrays. The unique ability of total synthesis to precision label protein molecules with dyes and with chemical or biochemical ‘tags’ can be used to facilitate novel assay technologies adapted from state-of-the art single molecule fluorescence detection techniques. In the future, in conjunction with modern laboratory automation this integrated set of techniques will enable high throughput experimental validation of the functional annotation of microbial genomes.

  20. Caffeic acid: potential applications in nanotechnology as a green reducing agent for sustainable synthesis of gold nanoparticles.

    Science.gov (United States)

    Seo, Yu Seon; Cha, Song-Hyun; Yoon, Hye-Ran; Kang, Young-Hwa; Park, Youmie

    2015-04-01

    The sustainable synthesis of gold nanoparticles from gold ions was conducted with caffeic acid as a green reducing agent. The formation of gold nanoparticles was confirmed by spectroscopic and microscopic methods. Spherical nanoparticles with an average diameter of 29.99 ± 7.43 nm were observed in high- resolution transmission electron microscopy and atomic force microscopy images. The newly prepared gold nanoparticles exhibited catalytic activity toward the reduction of 4-nitrophenol to 4-aminophenol in the presence of sodium borohydride. This system enables the preparation of green catalysts using plant natural products as reducing agents, which fulfills the growing need for sustainability initiatives.

  1. Measuring the Chemical Potential of the Martian Regolith to Generate and Sustain Life

    Science.gov (United States)

    Kounaves, S. P.; Buehler, M. G.; Kuhlman, K. R.

    1999-01-01

    A critical component for identifying chemical biosignatures is the ability to assess in-situ the potential of an aqueous geochemical environment to generate and sustain life. On Mars or other solar bodies, in-situ chemical characterization could provide evidence as to whether the chemical composition of the regolith or evaporites in suspected ancient water bodies have been biologically influenced or possess the chemical parameters within which life may have existed, or may still exist. A variety of analytical techniques have been proposed for use in detecting and identify signatures of past or present life. These techniques fall into two groups; visual observation with instruments such as cameras or optical/atomic-force microscopes; or elemental chemical analysis with such instruments as X-ray fluorescence (XRF) and diffraction (XRD), a-proton backscatter (APX), y-ray, Mossbauer, Raman, IR, UV/VIS spectroscopies, gas chromatography (GC), or mass spectrometry (MS). Direct observation of an identifiable lifeform by the first set of instruments in a single sample is highly unlikely, especially for extinct organisms or on the surface. The later instruments can provide vital data as to the elemental mineralogy and geological history of the planet, but are highly inadequate for understanding the chemistry of the planet in terms of indigenous life or interactions with human explorers. Techniques such as XRD, XRF, and APX, provide elemental composition at high limits of detection. Some of this data can be extrapolated or interpolated to provide chemical parameters such as oxidation state or composition. Gas chromatography (GC) without standards and non-specific detectors, has little chance of identifying a mixture of unknown components. Combined with GC or by itself, mass spectrometry (MS) can provide identification of compounds, but in both cases the sample must be appropriately prepared for accurate and reliable analysis. Life as we know it, and probably identify it as

  2. Synthesis and chemical modification of carbon nanostructures for materials applications

    Science.gov (United States)

    Higginbotham, Amanda Lynn

    This dissertation explores the structure, chemical reactivities, electromagnetic response, and materials properties of various carbon nanostructures, including single-walled carbon nanotubes (SWCNTs), multi-walled carbon nanotubes (MWCNTs), graphite, and graphene nanoribbons (GNRs). Efficient production and modification of these unique structures, each with their own distinct properties, will make them more accessible for applications in electronics, materials, and biology. A method is reported for controlling the permittivity from 1--1000 MHz of SWCNT-polymer composites (0.5 wt%) for radio frequency applications including passive RF antenna structures and EMI shielding. The magnitude of the real permittivity varied between 20 and 3.3, decreasing as higher fractions of functionalized-SWCNTs were added. The microwave absorbing properties and subsequent heating of carbon nanotubes were used to rapidly cure ceramic composites. With less than 1 wt% carbon nanotube additives and 30--40 W of directed microwave power (2.45 GHz), bulk composite samples reached temperatures above 500°C within 1 min. Graphite oxide (GO) polymer nanocomposites were developed at 1, 5, and 10 wt% for the purpose of evaluating the flammability reduction and materials properties of the resulting systems. Microscale oxygen consumption calorimetry revealed that addition of GO reduced the total heat release in all systems, and GO-polycarbonate composites demonstrated very fast self-extinguishing times in vertical open flame tests. A simple solution-based oxidative process using potassium permanganate in sulfuric acid was developed for producing nearly 100% yield of graphene nanoribbons (GNRs) by lengthwise cutting and unraveling of MWCNT sidewalls. Subsequent chemical reduction of the GNRs resulted in restoration of electrical conductivity. The GNR synthetic conditions were investigated in further depth, and an improved method which utilized a two-acid reaction medium was found to produce GNRs with

  3. Green Biodiesel Synthesis Using Waste Shells as Sustainable Catalysts with Camelina sativa Oil

    Directory of Open Access Journals (Sweden)

    Yelda Hangun-Balkir

    2016-01-01

    Full Text Available Waste utilization is an essential component of sustainable development and waste shells are rarely used to generate practical products and processes. Most waste shells are CaCO3 rich, which are converted to CaO once calcined and can be employed as inexpensive and green catalysts for the synthesis of biodiesel. Herein, we utilized lobster and eggshells as green catalysts for the transesterification of Camelina sativa oil as feedstock into biodiesel. Camelina sativa oil is an appealing crop option as feedstock for biodiesel production because it has high tolerance of cold weather, drought, and low-quality soils and contains approximately 40% oil content. The catalysts from waste shells were characterized by X-ray powder diffraction, Fourier Transform Infrared Spectroscopy, and Scanning Electron Microscope. The product, biodiesel, was studied by 1H NMR and FTIR spectroscopy. The effects of methanol to oil ratio, reaction time, reaction temperature, and catalyst concentration were investigated. Optimum biodiesel yields were attained at a 12 : 1 (alcohol : oil molar ratio with 1 wt.% heterogeneous catalysts in 3 hours at 65°C. The experimental results exhibited a first-order kinetics and rate constants and activation energy were calculated for the transesterification reaction at different temperatures. The fuel properties of the biodiesel produced from Camelina sativa oil and waste shells were compared with those of the petroleum-based diesel by using American Society for Testing and Materials (ASTM standards.

  4. Metabolic engineering of Escherichia coli: a sustainable industrial platform for bio-based chemical production.

    Science.gov (United States)

    Chen, Xianzhong; Zhou, Li; Tian, Kangming; Kumar, Ashwani; Singh, Suren; Prior, Bernard A; Wang, Zhengxiang

    2013-12-01

    In order to decrease carbon emissions and negative environmental impacts of various pollutants, more bulk and/or fine chemicals are produced by bioprocesses, replacing the traditional energy and fossil based intensive route. The Gram-negative rod-shaped bacterium, Escherichia coli has been studied extensively on a fundamental and applied level and has become a predominant host microorganism for industrial applications. Furthermore, metabolic engineering of E. coli for the enhanced biochemical production has been significantly promoted by the integrated use of recent developments in systems biology, synthetic biology and evolutionary engineering. In this review, we focus on recent efforts devoted to the use of genetically engineered E. coli as a sustainable platform for the production of industrially important biochemicals such as biofuels, organic acids, amino acids, sugar alcohols and biopolymers. In addition, representative secondary metabolites produced by E. coli will be systematically discussed and the successful strategies for strain improvements will be highlighted. Moreover, this review presents guidelines for future developments in the bio-based chemical production using E. coli as an industrial platform. Copyright © 2013 Elsevier Inc. All rights reserved.

  5. Alternate fuels and chemicals from synthesis gas: Vinyl acetate monomer. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Richard D. Colberg; Nick A. Collins; Edwin F. Holcombe; Gerald C. Tustin; Joseph R. Zoeller

    1999-01-01

    There has been a long-standing desire on the part of industry and the U.S. Department of Energy to replace the existing ethylene-based vinyl acetate monomer (VAM) process with an entirely synthesis gas-based process. Although there are a large number of process options for the conversion of synthesis gas to VAM, Eastman Chemical Company undertook an analytical approach, based on known chemical and economic principles, to reduce the potential candidate processes to a select group of eight processes. The critical technologies that would be required for these routes were: (1) the esterification of acetaldehyde (AcH) with ketene to generate VAM, (2) the hydrogenation of ketene to acetaldehyde, (3) the hydrogenation of acetic acid to acetaldehyde, and (4) the reductive carbonylation of methanol to acetaldehyde. This report describes the selection process for the candidate processes, the successful development of the key technologies, and the economic assessments for the preferred routes. In addition, improvements in the conversion of acetic anhydride and acetaldehyde to VAM are discussed. The conclusion from this study is that, with the technology developed in this study, VAM may be produced from synthesis gas, but the cost of production is about 15% higher than the conventional oxidative acetoxylation of ethylene, primarily due to higher capital associated with the synthesis gas-based processes.

  6. The 5th World Congress of chemical engineering: Technologies critical to a changing world. Volume I: Advanced fundamentals sustainable chemical engineering technology management and transfer international regulations

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-31

    Volume 1 of the proceedings from the 5th World Congress of Chemical Engineering covers four major topic areas: Advanced Fundamentals, Sustainable Chemical Engineering, Technology Management and Transfer, and International Regulations. Pertinent subtopics include: Instrumentation, Automation, and Process Control; Thermodynamics of Multiphase Solutions; Catalysis, Kinetics, and Reaction Engineering; Separations; Fluid Mechanics and Transport Phenomena; Fluid Mixing Technology; Global Environmental Problems; Super Efficient and Clean Production of Chemicals; Managing Research and Development; Information Technology; and Approaches for Solving the Environmental Challenge. 59 papers were selected from Volume 1 for the database.

  7. Wet chemical synthesis of zinc-iron oxide nanocomposite

    Science.gov (United States)

    Ito, Honami; Amagasa, Shota; Nishida, Naoki; Kobayashi, Yoshio; Yamada, Yasuhiro

    2017-11-01

    Zinc-iron oxide nanoparticles (ZnxFe3-xO4 and δ-ZnxFe1-xOOH) were successfully synthesized by room temperature chemical reaction of a solution containing ZnCl2 and FeCl2 in the presence of gelatin. The composition of products could be controlled by variation of the Zn/Fe mixture ratio of the starting material. ZnxFe3-xO4 nanoparticles were obtained from a solution with a high Zn/Fe ratio, whereas Zn-doped feroxyhyte ( δ-ZnxFe1-xOOH) nanoparticles were obtained from a solution with a low Zn/Fe ratio. The ZnxFe3-xO4 nanoparticles were spherical with diameters of approximately 10 nm, and the δ-ZnxFe1-xOOH particles were needle-like with lengths of approximately 100 nm. Mössbauer spectra measured at room temperature indicated superparamagnetic behavior of the nanoparticles, whereas the magnetic components were observed at low temperature. The Zn content of the intermediate species (( {Zn}^{ {II}}x {Fe}^{ {II}}_{1-x} {Fe}^{ {III}}2O4)) plays an important role in the oxidation process. When the Zn concentration was high, the content of Fe2+ in the intermediate species was small, and Zn2+ prevented further oxidation of the nanoparticles. When the starting material had low Zn concentration, the amount of Fe2+ in the intermediate species became large and was rapidly oxidized into δ-ZnxFe1-xOOH while rinsing under the ambient atmosphere.

  8. Building Peptide Bonds in Haifa: The Seventh Chemical Protein Synthesis (CPS) Meeting.

    Science.gov (United States)

    Lang, Kathrin

    2018-01-18

    The power of CPS, live! More than 90 attendees from around the world came together in Haifa to present and hear about cutting-edge science in protein chemistry, from advances in synthetic methods to applications in biology and medicine. The meeting was a powerful demonstration that chemical protein synthesis can provide otherwise unattainable insights into protein structure and function. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. FY08 Chemical Synthesis for the Self-Decontaminating Coatings Project

    Science.gov (United States)

    2013-08-01

    propionic acid (figure 1), is an AB2-type monomer. This means that each monomer contains one A group (the acid ) and two B groups (alcohol), and during...g/mol). Figure 1. Structure of 2,2- bis(hydroxymethyl) propionic acid . During this reporting period, scientists at ARL attempted to synthesize...FY08 Chemical Synthesis for the Self-Decontaminating Coatings Project by André A. Williams, Joshua A. Orlicki, Adam M. Rawlett, Wendy Kosik

  10. Synthesis of single-crystalline anisotropic gold nano-crystals via chemical vapor deposition

    Science.gov (United States)

    Manna, Sohini; Kim, Jong Woo; Takahashi, Yukiko; Shpyrko, Oleg G.; Fullerton, Eric E.

    2016-05-01

    We report on a novel one-step catalyst-free, thermal chemical vapor deposition procedure to synthesize gold nanocrystals on silicon substrates. This approach yields single-crystal nanocrystals with various morphologies, such as prisms, icosahedrons, and five-fold twinned decahedrons. Our approach demonstrates that high-quality anisotropic crystals composed of fcc metals can be produced without the need for surfactants or templates. Compared with the traditional wet chemical synthesis processes, our method enables direct formation of highly pure and single crystalline nanocrystals on solid substrates which have applications in catalysis. We investigated the evolution of gold nanocrystals and established their formation mechanism.

  11. CHEMO-hydrodynamic coupling between forced advection in porous media and self-sustained chemical waves

    Science.gov (United States)

    Atis, S.; Saha, S.; Auradou, H.; Martin, J.; Rakotomalala, N.; Talon, L.; Salin, D.

    2012-09-01

    Autocatalytic reaction fronts between two reacting species in the absence of fluid flow, propagate as solitary waves. The coupling between autocatalytic reaction front and forced simple hydrodynamic flows leads to stationary fronts whose velocity and shape depend on the underlying flow field. We address the issue of the chemico-hydrodynamic coupling between forced advection in porous media and self-sustained chemical waves. Towards that purpose, we perform experiments over a wide range of flow velocities with the well characterized iodate arsenious acid and chlorite-tetrathionate autocatalytic reactions in transparent packed beads porous media. The characteristics of these porous media such as their porosity, tortuosity, and hydrodynamics dispersion are determined. In a pack of beads, the characteristic pore size and the velocity field correlation length are of the order of the bead size. In order to address these two length scales separately, we perform lattice Boltzmann numerical simulations in a stochastic porous medium, which takes into account the log-normal permeability distribution and the spatial correlation of the permeability field. In both experiments and numerical simulations, we observe stationary fronts propagating at a constant velocity with an almost constant front width. Experiments without flow in packed bead porous media with different bead sizes show that the front propagation depends on the tortuous nature of diffusion in the pore space. We observe microscopic effects when the pores are of the size of the chemical front width. We address both supportive co-current and adverse flows with respect to the direction of propagation of the chemical reaction. For supportive flows, experiments and simulations allow observation of two flow regimes. For adverse flow, we observe upstream and downstream front motion as well as static front behaviors over a wide range of flow rates. In order to understand better these observed static state fronts, flow

  12. P-B Desulfurization: An Enabling Method for Protein Chemical Synthesis and Site-Specific Deuteration.

    Science.gov (United States)

    Jin, Kang; Li, Tianlu; Chow, Hoi Yee; Liu, Han; Li, Xuechen

    2017-11-13

    Cysteine-mediated native chemical ligation is a powerful method for protein chemical synthesis. Herein, we report an unprecedentedly mild system (TCEP/NaBH4 or TCEP/LiBEt3 H; TCEP=tris(2-carboxyethyl)phosphine) for chemoselective peptide desulfurization to achieve effective protein synthesis via the native chemical ligation-desulfurization approach. This method, termed P-B desulfurization, features usage of common reagents, simplicity of operation, robustness, high yields, clean conversion, and versatile functionality compatibility with complex peptides/proteins. In addition, this method can be used for incorporating deuterium into the peptides after cysteine desulfurization by running the reaction in D2 O buffer. Moreover, this method enables the clean desulfurization of peptides carrying post-translational modifications, such as phosphorylation and crotonylation. The effectiveness of this method has been demonstrated by the synthesis of the cyclic peptides dichotomin C and E and synthetic proteins, including ubiquitin, γ-synuclein, and histone H2A. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Chemical synthesis of carbohydrates and their surface immobilization: a brief introduction.

    Science.gov (United States)

    Werz, Daniel B

    2012-01-01

    For all carbohydrate microarrays, two important prerequisites are necessary: the carbohydrate of interest has to be obtained either by isolation from natural sources, enzymatic or chemical synthesis; an immobilization of the carbohydrate at the surface of the chip has to be achieved. This chapter provides a very brief overview of the chemical synthesis of carbohydrates (creation of building blocks, assembly, and deprotection) and of immobilization techniques. Numerous methods are known to construct oligosaccharides by chemical methods. A typical monosaccharide building block, used in oligosaccharide assembly, is equipped with different protecting groups that mask the hydroxyl and amine groups. In general, a good leaving group at the anomeric center that can easily be activated is mandatory; especially trichloroacetimidates, phosphates, and thioethers have been widely used for the creation of glycosidic bonds. After the complete assembly of the oligosaccharide, a global deprotection of all permanent protecting groups affords the desired target structure with free hydroxyl groups. Linkers, which were introduced during the synthesis, must often be modified at the end to create appropriate functionalities for surface immobilization.

  14. Peptide Bond Synthesis by a Mechanism Involving an Enzymatic Reaction and a Subsequent Chemical Reaction.

    Science.gov (United States)

    Abe, Tomoko; Hashimoto, Yoshiteru; Zhuang, Ye; Ge, Yin; Kumano, Takuto; Kobayashi, Michihiko

    2016-01-22

    We recently reported that an amide bond is unexpectedly formed by an acyl-CoA synthetase (which catalyzes the formation of a carbon-sulfur bond) when a suitable acid and l-cysteine are used as substrates. DltA, which is homologous to the adenylation domain of nonribosomal peptide synthetase, belongs to the same superfamily of adenylate-forming enzymes, which includes many kinds of enzymes, including the acyl-CoA synthetases. Here, we demonstrate that DltA synthesizes not only N-(d-alanyl)-l-cysteine (a dipeptide) but also various oligopeptides. We propose that this enzyme catalyzes peptide synthesis by the following unprecedented mechanism: (i) the formation of S-acyl-l-cysteine as an intermediate via its "enzymatic activity" and (ii) subsequent "chemical" S → N acyl transfer in the intermediate, resulting in peptide formation. Step ii is identical to the corresponding reaction in native chemical ligation, a method of chemical peptide synthesis, whereas step i is not. To the best of our knowledge, our discovery of this peptide synthesis mechanism involving an enzymatic reaction and a subsequent chemical reaction is the first such one to be reported. This new process yields peptides without the use of a thioesterified fragment, which is required in native chemical ligation. Together with these findings, the same mechanism-dependent formation of N-acyl compounds by other members of the above-mentioned superfamily demonstrated that all members most likely form peptide/amide compounds by using this novel mechanism. Each member enzyme acts on a specific substrate; thus, not only the corresponding peptides but also new types of amide compounds can be formed. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  15. Selective recovery of pure copper nanopowder from indium-tin-oxide etching wastewater by various wet chemical reduction process: Understanding their chemistry and comparisons of sustainable valorization processes.

    Science.gov (United States)

    Swain, Basudev; Mishra, Chinmayee; Hong, Hyun Seon; Cho, Sung-Soo

    2016-05-01

    Sustainable valorization processes for selective recovery of pure copper nanopowder from Indium-Tin-Oxide (ITO) etching wastewater by various wet chemical reduction processes, their chemistry has been investigated and compared. After the indium recovery by solvent extraction from ITO etching wastewater, the same is also an environmental challenge, needs to be treated before disposal. After the indium recovery, ITO etching wastewater contains 6.11kg/m(3) of copper and 1.35kg/m(3) of aluminum, pH of the solution is very low converging to 0 and contain a significant amount of chlorine in the media. In this study, pure copper nanopowder was recovered using various reducing reagents by wet chemical reduction and characterized. Different reducing agents like a metallic, an inorganic acid and an organic acid were used to understand reduction behavior of copper in the presence of aluminum in a strong chloride medium of the ITO etching wastewater. The effect of a polymer surfactant Polyvinylpyrrolidone (PVP), which was included to prevent aggregation, to provide dispersion stability and control the size of copper nanopowder was investigated and compared. The developed copper nanopowder recovery techniques are techno-economical feasible processes for commercial production of copper nanopowder in the range of 100-500nm size from the reported facilities through a one-pot synthesis. By all the process reported pure copper nanopowder can be recovered with>99% efficiency. After the copper recovery, copper concentration in the wastewater reduced to acceptable limit recommended by WHO for wastewater disposal. The process is not only beneficial for recycling of copper, but also helps to address environment challenged posed by ITO etching wastewater. From a complex wastewater, synthesis of pure copper nanopowder using various wet chemical reduction route and their comparison is the novelty of this recovery process. Copyright © 2016 Elsevier Inc. All rights reserved.

  16. Synthesis of knowledge on marine biodiversity in European Seas: from census to sustainable management.

    Science.gov (United States)

    Narayanaswamy, Bhavani E; Coll, Marta; Danovaro, Roberto; Davidson, Keith; Ojaveer, Henn; Renaud, Paul E

    2013-01-01

    The recently completed European Census of Marine Life, conducted within the framework of the global Census of Marine Life programme (2000-2010), markedly enhanced our understanding of marine biodiversity in European Seas, its importance within ecological systems, and the implications for human use. Here we undertake a synthesis of present knowledge of biodiversity in European Seas and identify remaining challenges that prevent sustainable management of marine biodiversity in one of the most exploited continents of the globe. Our analysis demonstrates that changes in faunal standing stock with depth depends on the size of the fauna, with macrofaunal abundance only declining with increasing water depth below 1000 m, whilst there was no obvious decrease in meiofauna with increasing depth. Species richness was highly variable for both deep water macro- and meio- fauna along latitudinal and longitudinal gradients. Nematode biodiversity decreased from the Atlantic into the Mediterranean whilst latitudinal related biodiversity patterns were similar for both faunal groups investigated, suggesting that the same environmental drivers were influencing the fauna. While climate change and habitat degradation are the most frequently implicated stressors affecting biodiversity throughout European Seas, quantitative understanding, both at individual and cumulative/synergistic level, of their influences are often lacking. Full identification and quantification of species, in even a single marine habitat, remains a distant goal, as we lack integrated data-sets to quantify these. While the importance of safeguarding marine biodiversity is recognised by policy makers, the lack of advanced understanding of species diversity and of a full survey of any single habitat raises huge challenges in quantifying change, and facilitating/prioritising habitat/ecosystem protection. Our study highlights a pressing requirement for more complete biodiversity surveys to be undertaken within

  17. Synthesis of Knowledge on Marine Biodiversity in European Seas: From Census to Sustainable Management

    Science.gov (United States)

    Narayanaswamy, Bhavani E.

    2013-01-01

    The recently completed European Census of Marine Life, conducted within the framework of the global Census of Marine Life programme (2000–2010), markedly enhanced our understanding of marine biodiversity in European Seas, its importance within ecological systems, and the implications for human use. Here we undertake a synthesis of present knowledge of biodiversity in European Seas and identify remaining challenges that prevent sustainable management of marine biodiversity in one of the most exploited continents of the globe. Our analysis demonstrates that changes in faunal standing stock with depth depends on the size of the fauna, with macrofaunal abundance only declining with increasing water depth below 1000 m, whilst there was no obvious decrease in meiofauna with increasing depth. Species richness was highly variable for both deep water macro- and meio- fauna along latitudinal and longitudinal gradients. Nematode biodiversity decreased from the Atlantic into the Mediterranean whilst latitudinal related biodiversity patterns were similar for both faunal groups investigated, suggesting that the same environmental drivers were influencing the fauna. While climate change and habitat degradation are the most frequently implicated stressors affecting biodiversity throughout European Seas, quantitative understanding, both at individual and cumulative/synergistic level, of their influences are often lacking. Full identification and quantification of species, in even a single marine habitat, remains a distant goal, as we lack integrated data-sets to quantify these. While the importance of safeguarding marine biodiversity is recognised by policy makers, the lack of advanced understanding of species diversity and of a full survey of any single habitat raises huge challenges in quantifying change, and facilitating/prioritising habitat/ecosystem protection. Our study highlights a pressing requirement for more complete biodiversity surveys to be undertaken within

  18. Removable Backbone Modification Method for the Chemical Synthesis of Membrane Proteins.

    Science.gov (United States)

    Li, Jia-Bin; Tang, Shan; Zheng, Ji-Shen; Tian, Chang-Lin; Liu, Lei

    2017-05-16

    Chemical synthesis can produce water-soluble globular proteins bearing specifically designed modifications. These synthetic molecules have been used to study the biological functions of proteins and to improve the pharmacological properties of protein drugs. However, the above advances notwithstanding, membrane proteins (MPs), which comprise 20-30% of all proteins in the proteomes of most eukaryotic cells, remain elusive with regard to chemical synthesis. This difficulty stems from the strong hydrophobic character of MPs, which can cause considerable handling issues during ligation, purification, and characterization steps. Considerable efforts have been made to improve the solubility of transmembrane peptides for chemical ligation. These methods can be classified into two main categories: the manipulation of external factors and chemical modification of the peptide. This Account summarizes our research advances in the development of chemical modification especially the two generations of removable backbone modification (RBM) strategy for the chemical synthesis of MPs. In the first RBM generation, we install a removable modification group at the backbone amide of Gly within the transmembrane peptides. In the second RBM generation, the RBM group can be installed into all primary amino acid residues. The second RBM strategy combines the activated intramolecular O-to-N acyl transfer reaction, in which a phenyl group remains unprotected during the coupling process, which can play a catalytic role to generate the activated phenyl ester to assist in the formation of amide. The key feature of the RBM group is its switchable stability in trifluoroacetic acid. The stability of these backbone amide N-modifications toward TFA can be modified by regulating the electronic effects of phenol groups. The free phenol group is acylated to survive the TFA deprotection step, while the acyl phenyl ester will be quantitatively hydrolyzed in a neutral aqueous solution, and the free

  19. Synthesis of Portland cement and calcium sulfoaluminate-belite cement for sustainable development and performance

    Science.gov (United States)

    Chen, Irvin Allen

    Portland cement concrete, the most widely used manufactured material in the world, is made primarily from water, mineral aggregates, and portland cement. The production of portland cement is energy intensive, accounting for 2% of primary energy consumption and 5% of industrial energy consumption globally. Moreover, portland cement manufacturing contributes significantly to greenhouse gases and accounts for 5% of the global CO2 emissions resulting from human activity. The primary objective of this research was to explore methods of reducing the environmental impact of cement production while maintaining or improving current performance standards. Two approaches were taken, (1) incorporation of waste materials in portland cement synthesis, and (2) optimization of an alternative environmental friendly binder, calcium sulfoaluminate-belite cement. These approaches can lead to less energy consumption, less emission of CO2, and more reuse of industrial waste materials for cement manufacturing. In the portland cement part of the research, portland cement clinkers conforming to the compositional specifications in ASTM C 150 for Type I cement were successfully synthesized from reagent-grade chemicals with 0% to 40% fly ash and 0% to 60% slag incorporation (with 10% intervals), 72.5% limestone with 27.5% fly ash, and 65% limestone with 35% slag. The synthesized portland cements had similar early-age hydration behavior to commercial portland cement. However, waste materials significantly affected cement phase formation. The C3S--C2S ratio decreased with increasing amounts of waste materials incorporated. These differences could have implications on proportioning of raw materials for cement production when using waste materials. In the calcium sulfoaluminate-belite cement part of the research, three calcium sulfoaluminate-belite cement clinkers with a range of phase compositions were successfully synthesized from reagent-grade chemicals. The synthesized calcium sulfoaluminate

  20. Biological characterization of chemically diverse compounds targeting the Plasmodium falciparum coenzyme A synthesis pathway

    Directory of Open Access Journals (Sweden)

    Sabine Fletcher

    2016-11-01

    Full Text Available Abstract Background In the fight against malaria, the discovery of chemical compounds with a novel mode of action and/or chemistry distinct from currently used drugs is vital to counteract the parasite’s known ability to develop drug resistance. Another desirable aspect is efficacy against gametocytes, the sexual developmental stage of the parasite which enables the transmission through Anopheles vectors. Using a chemical rescue approach, we previously identified compounds targeting Plasmodium falciparum coenzyme A (CoA synthesis or utilization, a promising target that has not yet been exploited in anti-malarial drug development. Results We report on the outcomes of a series of biological tests that help to define the species- and stage-specificity, as well as the potential targets of these chemically diverse compounds. Compound activity against P. falciparum gametocytes was determined to assess stage-specificity and transmission-reducing potential. Against early stage gametocytes IC50 values ranging between 60 nM and 7.5 μM were obtained. With the exception of two compounds with sub-micromolar potencies across all intra-erythrocytic stages, activity against late stage gametocytes was lower. None of the compounds were specific pantothenate kinase inhibitors. Chemical rescue profiling with CoA pathway intermediates demonstrated that most compounds acted on either of the two final P. falciparum CoA synthesis enzymes, phosphopantetheine adenylyltransferase (PPAT or dephospho CoA kinase (DPCK. The most active compound targeted either phosphopantothenoylcysteine synthetase (PPCS or phosphopantothenoylcysteine decarboxylase (PPCDC. Species-specificity was evaluated against Trypanosoma cruzi and Trypanosoma brucei brucei. No specific activity against T. cruzi amastigotes was observed; however three compounds inhibited the viability of trypomastigotes with sub-micromolar potencies and were confirmed to act on T. b. brucei CoA synthesis. Conclusions

  1. Synthesis of ultra-long cadmium telluride nanotubes via combinational chemical transformation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Kee-Ryung; Cho, Hong-Baek; Choa, Yong-Ho, E-mail: choa15@hanyang.ac.kr

    2017-03-01

    Synthesis of high-throughput cadmium telluride (CdTe) nanotubes with an ultra-long aspect ratio is presented via a combination process concept combined with electrospinning, electrodeposition, and cationic exchange reaction. Ultra-long sacrificial silver (Ag) nanofibers were synthesized by electrospinning involving two-step calcination, and were then electrodeposited to create silver telluride nanotubes. These nanotubes underwent cationic exchange reaction in cadmium nitrate tetrahydrate solution with the aid of a ligand, tributylphosphine (TBP). Analysis showed that ultra-long pure zinc blende CdTe nanotubes were obtained with controlled dimension and uniform morphology. The thermodynamic driving force induced by the coordination of methanol solvent and TBP attributed to overcome the kinetic barrier between Ag{sub 2}Te and CdTe nanotubes, facilitating the synthesis of CdTe nanotubes. This synthetic process involving a topotactic reaction route paves a way for high-throughput extended synthesis of new chalcogenide hollow nanotubes for application in photodetectors and solar cells. - Highlights: • High throughput synthetic route of hollow CdTe nanotubes with ultra-long aspect ratio. • Chemical combination of electrospinning, electrodeposition & cation exchange reaction. • Pure zinc blende CdTe by controlled dimension & structural variation of Ag nanofibers. • Potential for the high throughput synthesis of new exotic chalcogenide nanotubes.

  2. Nanofiltration-Enabled In Situ Solvent and Reagent Recycle for Sustainable Continuous-Flow Synthesis.

    Science.gov (United States)

    Fodi, Tamas; Didaskalou, Christos; Kupai, Jozsef; Balogh, Gyorgy T; Huszthy, Peter; Szekely, Gyorgy

    2017-09-11

    Solvent usage in the pharmaceutical sector accounts for as much as 90 % of the overall mass during manufacturing processes. Consequently, solvent consumption poses significant costs and environmental burdens. Continuous processing, in particular continuous-flow reactors, have great potential for the sustainable production of pharmaceuticals but subsequent downstream processing remains challenging. Separation processes for concentrating and purifying chemicals can account for as much as 80 % of the total manufacturing costs. In this work, a nanofiltration unit was coupled to a continuous-flow rector for in situ solvent and reagent recycling. The nanofiltration unit is straightforward to implement and simple to control during continuous operation. The hybrid process operated continuously over six weeks, recycling about 90 % of the solvent and reagent. Consequently, the E-factor and the carbon footprint were reduced by 91 % and 19 %, respectively. Moreover, the nanofiltration unit led to a solution of the product eleven times more concentrated than the reaction mixture and increased the purity from 52.4 % to 91.5 %. The boundaries for process conditions were investigated to facilitate implementation of the methodology by the pharmaceutical sector. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Approaches to chemical dependency: chemical dependency and interactive group therapy--a synthesis.

    Science.gov (United States)

    Matano, R A; Yalom, I D

    1991-07-01

    Though the focus on interpersonal interaction is a powerful therapeutic factor in group therapy, traditional chemical dependency therapy groups generally fail to employ the interactional group orientation. An interactional approach can be effectively applied to alcoholics if the following guidelines are observed: (1) recovery is always accorded priority, (2) the patient accepts identification as an alcoholic, (3) anxiety is carefully modulated, (4) the proper distinction is made between what the alcoholic is and is not responsible for, (5) the therapist is thoroughly familiar with Alcoholics Anonymous language, steps, and traditions. It is important that therapists not permit misperceptions of A.A. to be used as therapy resistance and that they be able to harness the wisdom of A.A. for psychotherapeutic ends. Group therapists must also be prepared to deal with common themes arising in the treatment of the alcoholic patient: idealization, devaluation, externalization, defiance, grandiosity, conning, and avoidance.

  4. Macrokinetics of carbon nanotubes synthesis by the chemical vapor deposition method

    Science.gov (United States)

    Rukhov, Artem; Dyachkova, Tatyana; Tugolukov, Evgeny; Besperstova, Galina

    2017-11-01

    A new approach to studying and developing basic processes which take place on the surface of a metal catalyst during the thermal decomposition of carbonaceous substances in the carbon nanotubes synthesis by the chemical vapor deposition method was proposed. In addition, an analysis was made of the interrelationships between these thermal, diffusion, hydrodynamic and other synthesis processes. A strong effect of the catalyst regeneration stage on the stage of nanotube formation has been shown. Based on the developed approach, a mathematical model was elaborated. Comparison of the calculation and the experiment carried out with the NiO-MgO catalyst at propane flow rate of 50 mL/min (standard conditions) and ethanol flow rate 0.3 mL/min (liq.) has revealed a discrepancy of less than 10%.

  5. Controlled Synthesis of Atomically Layered Hexagonal Boron Nitride via Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    Juanjuan Liu

    2016-11-01

    Full Text Available Hexagonal boron nitrite (h-BN is an attractive material for many applications including electronics as a complement to graphene, anti-oxidation coatings, light emitters, etc. However, the synthesis of high-quality h-BN is still a great challenge. In this work, via controlled chemical vapor deposition, we demonstrate the synthesis of h-BN films with a controlled thickness down to atomic layers. The quality of as-grown h-BN is confirmed by complementary characterizations including high-resolution transition electron microscopy, atomic force microscopy, Raman spectroscopy and X-ray photo-electron spectroscopy. This work will pave the way for production of large-scale and high-quality h-BN and its applications as well.

  6. Synthesis of Y-Tip Graphitic Nanoribbons from Alcohol Catalytic Chemical Vapor Deposition on Piezoelectric Substrate

    Directory of Open Access Journals (Sweden)

    Zainab Yunusa

    2015-01-01

    Full Text Available We report the synthesis of Graphitic Nanoribbons (GNRs using Alcohol Catalytic Chemical Vapor Deposition (ACCVD. Bulk GNR was synthesized directly on a piezoelectric substrate using one-step ACCVD. The synthesized GNRs were characterized by X-Ray Diffraction (XRD, Scanning Electron Microscope (SEM, Transmission Electron Microscope (TEM, Energy Dispersive X-Ray (EDX, Atomic Force Microscopy (AFM, and Raman spectroscopy. The characterization results showed Y-tip morphology of bulk and filamentous as-grown GNR having varying width that lies between tens and hundreds of nm and length of several microns. Based on the thickness obtained from the AFM and the analysis from the Raman spectroscopy, it was concluded that the synthesized GNRs are multiple-layered and graphitic in nature. With the direct synthesis of GNR on a piezoelectric substrate, it could have applications in the sensor industries, while the Y-tip GNR could have potentialities in semiconductor applications.

  7. CdS nanowires formed by chemical synthesis using conjugated single-stranded DNA molecules

    Science.gov (United States)

    Sarangi, S. N.; Sahu, S. N.; Nozaki, S.

    2018-03-01

    CdS nanowires were successfully grown by chemical synthesis using two conjugated single-stranded (ss) DNA molecules, poly G (30) and poly C (30), as templates. During the early stage of the synthesis with the DNA molecules, the Cd 2+ interacts with Poly G and Poly C and produces the (Cd 2+)-Poly GC complex. As the growth proceeds, it results in nanowires. The structural analysis by grazing angle x-ray diffraction and transmission electron microscopy confirmed the zinc-blende CdS nanowires with the growth direction of . Although the nanowires are well surface-passivated with the DNA molecules, the photoluminescence quenching was caused by the electron transfer from the nanowires to the DNA molecules. The quenching can be used to detect and label the DNAs.

  8. Chemical synthesis and characterization of highly soluble conducting polyaniline in the mixtures of common solvents

    Directory of Open Access Journals (Sweden)

    Zeghioud Hichem

    2015-01-01

    Full Text Available This work presents the synthesis and characterization of soluble and conducting polyaniline PANI-PIA according to chemical polymerization route. This polymerization pathway leads to the formation of poly(itaconic acid doped polyaniline salts, which are highly soluble in a number of mixtures between organic common polar solvents and water, the solubility reaches 4 mg mL-1. The effect of synthesis parameters such as doping level on the conductivity and the study of solubility and other properties of the resulting PANI salts were also undertaken. The maximum of conductivity was found equal to 2.48×10-4 S cm-1 for fully protonated PANI-EB. In addition, various characterizations of the synthesized materials were also done with the help of viscosity measurements, UV-vis spectroscopy, XRD, FTIR and finally TGA for the thermal properties behaviour.

  9. Micro-chemical synthesis of molecular probes on an electronic microfluidic device.

    Science.gov (United States)

    Keng, Pei Yuin; Chen, Supin; Ding, Huijiang; Sadeghi, Saman; Shah, Gaurav J; Dooraghi, Alex; Phelps, Michael E; Satyamurthy, Nagichettiar; Chatziioannou, Arion F; Kim, Chang-Jin; van Dam, R Michael

    2012-01-17

    We have developed an all-electronic digital microfluidic device for microscale chemical synthesis in organic solvents, operated by electrowetting-on-dielectric (EWOD). As an example of the principles, we demonstrate the multistep synthesis of [(18)F]FDG, the most common radiotracer for positron emission tomography (PET), with high and reliable radio-fluorination efficiency of [(18)F]FTAG (88 ± 7%, n = 11) and quantitative hydrolysis to [(18)F]FDG (> 95%, n = 11). We furthermore show that batches of purified [(18)F]FDG can successfully be used for PET imaging in mice and that they pass typical quality control requirements for human use (including radiochemical purity, residual solvents, Kryptofix, chemical purity, and pH). We report statistical repeatability of the radiosynthesis rather than best-case results, demonstrating the robustness of the EWOD microfluidic platform. Exhibiting high compatibility with organic solvents and the ability to carry out sophisticated actuation and sensing of reaction droplets, EWOD is a unique platform for performing diverse microscale chemical syntheses in small volumes, including multistep processes with intermediate solvent-exchange steps.

  10. Synthesis, characterization and antifungal activity of chemically and fungal-produced silver nanoparticles against Trichophyton rubrum.

    Science.gov (United States)

    Pereira, L; Dias, N; Carvalho, J; Fernandes, S; Santos, C; Lima, N

    2014-12-01

    To characterize and explore the potential in extracellular biosynthesis of silver nanoparticles (AgNPs) by Penicillium chrysogenum and Aspergillus oryzae and to investigate the antifungal effect of chemically vs biologically synthesized AgNPs comparing with conventional antifungal drugs against Trichophyton rubrum. Chemically synthesized AgNPs (Chem-AgNPs) coated with polyvinylpyrrolidone (PVP) were synthesized by chemical reduction method with glucose in PVP aqueous solution. Biologically synthesized AgNPs (Bio-AgNPs) were produced from the extracellular cell-free filtrate of P. chrysogenum MUM 03.22 and A. oryzae MUM 97.19. Among the commercial antifungal drugs, terbinafine exhibited the lower minimal inhibitory concentration (MIC) range values of 0·063-0·25 μg ml(-1) for the clinical strains. Chem-AgNPs exhibited antifungal activity against all T. rubrum strains. Bio-AgNPs produced by the fungal cell-free filtrate of P. chrysogenum showed an antifungal activity higher than fluconazole but less than terbinafine, itraconazole and Chem-AgNPs. The synthesis parameters in future works should be carefully studied to take full advantage of all the potential of filamentous fungi in the synthesis of AgNPs. Bio-AgNPs could be used as antifungal agents, namely against dermatophytes. © 2014 The Society for Applied Microbiology.

  11. Physical-chemical characterization of Tunisian clays for the synthesis of geopolymers materials

    Science.gov (United States)

    Selmani, S.; Essaidi, N.; Gouny, F.; Bouaziz, S.; Joussein, E.; Driss, A.; Sdiri, A.; Rossignol, S.

    2015-03-01

    Natural clay materials from Tunisia were examined as an aluminosilicate source for the synthesis of consolidated materials at low temperatures. Three clay samples were collected from the El Kef, Douiret and Gafsa basins and calcined at different temperatures. All of the samples were characterized using chemical and mineralogical analyses, thermogravimetry, dilatometry, and Fourier transform infrared spectroscopy (FTIR) measurements. The chemical (XRF) and mineralogical analyses (XRD and FTIR) indicated that all of the samples contained various amounts of kaolinite and quartz, followed by calcite, mica, palygorskite and gypsum. Curing produced a binder which did not significantly affect the physic-chemical properties of these clays. The obtained materials heterogeneous did not reach the geopolymerization stage, most likely because of their low kaolinite content. The addition of a suitable aluminosilicate to these clays is therefore recommended to produce homogeneous consolidated geopolymers. The synthesized materials obtained after the addition of metakaolin to the formulation to improve reactivity have interesting properties, thereby providing good potential for Tunisian clays in the synthesis of geopolymers.

  12. Synthesis of scalable and tunable slightly oxidized graphene via chemical vapor deposition.

    Science.gov (United States)

    Sagar, Rizwan Ur Rehman; Namvari, Mina; Navale, Sachin T; Stadler, Florian J

    2017-03-15

    Semiconducting, large sheets of carbon as an active material in optoelectronic research are missing and reduced graphene oxide (rGO) can be a good candidate. However, chemical synthesis cannot produce large sheets of rGO (i.e. maximum: 20-30μm) as well as high quality rGO due to the restraints of fabrication method. Thus, a novel strategy for the synthesis of large sheets of semiconducting rGO is urgently required. Large area slightly oxidized graphene (SOG) is fabricated at the interface of silicon dioxide (SiO2) and silicon via Chemical Vapor Deposition (CVD) method, herein for the first time. Carbon atoms bond with oxygen functionalities (i.e. CO, COH) at the time of diffusion in SiO2 allowing for C/O ratios from 7 to 10 adjustable by the variation of SiO2 thickness, indicating the tunable oxidation. Moreover, electronic structure and morphology of SOG are similar to the chemically grown rGO. The fabrication mechanism of SOG is also investigated. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Biomimetic, mild chemical synthesis of CdTe-GSH quantum dots with improved biocompatibility.

    Directory of Open Access Journals (Sweden)

    José M Pérez-Donoso

    Full Text Available Multiple applications of nanotechnology, especially those involving highly fluorescent nanoparticles (NPs or quantum dots (QDs have stimulated the research to develop simple, rapid and environmentally friendly protocols for synthesizing NPs exhibiting novel properties and increased biocompatibility. In this study, a simple protocol for the chemical synthesis of glutathione (GSH-capped CdTe QDs (CdTe-GSH resembling conditions found in biological systems is described. Using only CdCl(2, K(2TeO(3 and GSH, highly fluorescent QDs were obtained under pH, temperature, buffer and oxygen conditions that allow microorganisms growth. These CdTe-GSH NPs displayed similar size, chemical composition, absorbance and fluorescence spectra and quantum yields as QDs synthesized using more complicated and expensive methods.CdTe QDs were not freely incorporated into eukaryotic cells thus favoring their biocompatibility and potential applications in biomedicine. In addition, NPs entry was facilitated by lipofectamine, resulting in intracellular fluorescence and a slight increase in cell death by necrosis. Toxicity of the as prepared CdTe QDs was lower than that observed with QDs produced by other chemical methods, probably as consequence of decreased levels of Cd(+2 and higher amounts of GSH. We present here the simplest, fast and economical method for CdTe QDs synthesis described to date. Also, this biomimetic protocol favors NPs biocompatibility and helps to establish the basis for the development of new, "greener" methods to synthesize cadmium-containing QDs.

  14. Chemical leasing: cooperative business models for sustainable chemicals management. Summary of research projects commissioned by the Austrian Federal Ministry of Agriculture, Forestry, Environment and Water Management.

    Science.gov (United States)

    Perthen-Palmisano, Barbara; Jakl, Thomas

    2005-01-01

    Chemicals play a vital role in the day-to-day life of industrialised societies. Their use is not restricted to the chemical enterprises per se, but is a crucial part of production processes in a lot of industrial sectors. Traditional instruments of environmental policy (such as bans, restrictions) can only deal with the most hazardous substances. The Johannesburg Implementation Plan of 2002 calls for more sustainable patterns of production and consumption, and sets the year of 2020 as a goal to use chemicals in a way that human health and the environment are not endangered. Political instruments should not only gather more knowledge about the properties of chemicals, but should also stimulate the environmentally sound use of chemicals. Existing business models should therefore be reviewed in relation to this strategic approach to encourage marketing options with respect to the environmental focus. Business models were examined for their effects on the consumption of chemicals and amount of waste emissions in relation to their economic potential. Different possibilities for cooperation of supplier, user and disposal companies were elaborated and examined with a view to the specific situation in Austria. A range of cooperative models--summarised under the term 'chemical leasing'--was identified, which can contribute to a more efficient use of resources. 12 main possible application areas (cleaning, lubrication, paint stripping and others) have been identified in Austria. If chemical leasing models were applied in these areas, the amounts of chemicals currently used could be reduced by one third (53,000 tonnes per year). Cost reductions of up to 15% can be expected. The application of chemical leasing models can contribute considerably to achieving more sustainable and resource-efficient patterns of production. The Austrian Ministry for Environment has therefore decided to subsidise the further practical implementation of these new service-oriented business models

  15. X-ray physico-chemical imaging during activation of cobalt-based Fischer-Tropsch synthesis catalysts.

    Science.gov (United States)

    Beale, Andrew M; Jacques, Simon D M; Di Michiel, Marco; Mosselmans, J Frederick W; Price, Stephen W T; Senecal, Pierre; Vamvakeros, Antonios; Paterson, James

    2018-01-13

    The imaging of catalysts and other functional materials under reaction conditions has advanced significantly in recent years. The combination of the computed tomography (CT) approach with methods such as X-ray diffraction (XRD), X-ray fluorescence (XRF) and X-ray absorption near-edge spectroscopy (XANES) now enables local chemical and physical state information to be extracted from within the interiors of intact materials which are, by accident or design, inhomogeneous. In this work, we follow the phase evolution during the initial reduction step(s) to form Co metal, for Co-containing particles employed as Fischer-Tropsch synthesis (FTS) catalysts; firstly, working at small length scales (approx. micrometre spatial resolution), a combination of sample size and density allows for transmission of comparatively low energy signals enabling the recording of 'multimodal' tomography, i.e. simultaneous XRF-CT, XANES-CT and XRD-CT. Subsequently, we show high-energy XRD-CT can be employed to reveal extent of reduction and uniformity of crystallite size on millimetre-sized TiO2 trilobes. In both studies, the CoO phase is seen to persist or else evolve under particular operating conditions and we speculate as to why this is observed.This article is part of a discussion meeting issue 'Providing sustainable catalytic solutions for a rapidly changing world'. © 2017 The Authors.

  16. X-ray physico-chemical imaging during activation of cobalt-based Fischer–Tropsch synthesis catalysts

    Science.gov (United States)

    Jacques, Simon D. M.; Di Michiel, Marco; Mosselmans, J. Frederick W.; Price, Stephen W. T.; Senecal, Pierre; Vamvakeros, Antonios; Paterson, James

    2018-01-01

    The imaging of catalysts and other functional materials under reaction conditions has advanced significantly in recent years. The combination of the computed tomography (CT) approach with methods such as X-ray diffraction (XRD), X-ray fluorescence (XRF) and X-ray absorption near-edge spectroscopy (XANES) now enables local chemical and physical state information to be extracted from within the interiors of intact materials which are, by accident or design, inhomogeneous. In this work, we follow the phase evolution during the initial reduction step(s) to form Co metal, for Co-containing particles employed as Fischer–Tropsch synthesis (FTS) catalysts; firstly, working at small length scales (approx. micrometre spatial resolution), a combination of sample size and density allows for transmission of comparatively low energy signals enabling the recording of ‘multimodal’ tomography, i.e. simultaneous XRF–CT, XANES–CT and XRD–CT. Subsequently, we show high-energy XRD–CT can be employed to reveal extent of reduction and uniformity of crystallite size on millimetre-sized TiO2 trilobes. In both studies, the CoO phase is seen to persist or else evolve under particular operating conditions and we speculate as to why this is observed. This article is part of a discussion meeting issue ‘Providing sustainable catalytic solutions for a rapidly changing world’. PMID:29175905

  17. Semi-synthesis of murine prion protein by native chemical ligation and chemical activation for preparation of polypeptide-α-thioester.

    Science.gov (United States)

    Shi, Lei; Chen, Huai; Zhang, Si-Yu; Chu, Ting-Ting; Zhao, Yu-Fen; Chen, Yong-Xiang; Li, Yan-Mei

    2017-06-01

    Prions are suspected as pathogen of the fatal transmissible spongiform encephalopathies. Strategies to access homogenous prion protein (PrP) are required to fully comprehend the molecular mechanism of prion diseases. However, the polypeptide fragments from PrP show a high tendency to form aggregates, which is a gigantic obstacle of protein synthesis and purification. In this study, murine prion sequence 90 to 230 that is the core three-dimensional structure domain was constructed from three segments murine PrP (mPrP)(90-177), mPrP(178-212), and mPrP(213-230) by combining protein expression, chemical synthesis and chemical ligation. The protein sequence 90 to 177 was obtained from expression and finally converted into the polypeptide hydrazide by chemical activation of a cysteine in the tail. The other two polypeptide fragments of the C-terminal were obtained by chemical synthesis, which utilized the strategies of isopeptide and pseudoproline building blocks to complete the synthesis of such difficult sequences. The three segments were finally assembled by sequentially using native chemical ligation. This strategy will allow more straightforward access to homogeneously modified PrP variants. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd.

  18. Exploring chemoselective S-to-N acyl transfer reactions in synthesis and chemical biology

    Science.gov (United States)

    Burke, Helen M.; McSweeney, Lauren; Scanlan, Eoin M.

    2017-05-01

    S-to-N acyl transfer is a high-yielding chemoselective process for amide bond formation. It is widely utilized by chemists for synthetic applications, including peptide and protein synthesis, chemical modification of proteins, protein-protein ligation and the development of probes and molecular machines. Recent advances in our understanding of S-to-N acyl transfer processes in biology and innovations in methodology for thioester formation and desulfurization, together with an extension of the size of cyclic transition states, have expanded the boundaries of this process well beyond peptide ligation. As the field develops, this chemistry will play a central role in our molecular understanding of Biology.

  19. Chemical Vapor Synthesis of Titanium Aluminides by Reaction of Aluminum Subchloride and Titanium Tetrachloride

    Science.gov (United States)

    Zakirov, Roman A.; Parfenov, Oleg G.; Solovyov, Leonid A.

    2017-11-01

    A new process for developing titanium aluminides (TiAls) using chemical vapor synthesis was investigated in a laboratory experiment. Aluminum subchloride (AlCl) was used as the reducing agent in the reaction with TiCl4 and the source of aluminum for Ti-Al alloy. Two types of products, with large crystals and fine particles, were fabricated. The large crystals were determined to be TiAl, with small amounts of Ti and Ti3Al phases. The composition of fine particles, on the other hand, varied in wide range.

  20. Chemical Capping Synthesis of Nickel Oxide Nanoparticles and their Characterizations Studies

    CERN Document Server

    rifaya, M Nowsath; Alagar, M; 10.5923/j.nn.20120205.01

    2012-01-01

    This work reports aspect related to chemical capping synthesis of nano-sized particles of nickel oxide. It is a simple, novel and cost effective method. The average particle size, specific surface area, crystallinity index are estimated from XRD analysis. The structural, functional groups and optical characters are analyzed with using of SEM, FTIR and UV- visible techniques. XRD studies confirm the presence of high degree of crystallinity nature of nickel oxide nanoparticles. Their particle size is found to be 12 nm and specific surface area (SSA) is 74m2 g-1. The optical band gap energy value 3.83ev has also been determined from UV-vis spectrum.

  1. Synthesis and Physico-Chemical Properties of New Tetraethylammonium-Based Amino Acid Chiral Ionic Liquids

    Directory of Open Access Journals (Sweden)

    Mohd Basyaruddin Abdul Rahman

    2010-04-01

    Full Text Available This paper reports the synthesis of a series of new tetraethylammonium-based amino acid chiral ionic liquids (CILs. Their physico-chemical properties, including melting point, thermal stability, viscosity and ionic conductivity, have been comprehensively studied. The obtained results indicated that the decomposition for these salts proceeds in one step and the temperature of decomposition (Tonset is in the range of 168–210 °C. Several new CILs prepared in this work showed high ionic conductivity compared to the amino acid ionic liquids (AAILs found in the literature.

  2. Assessment of physical and chemical indicators of sandy soil quality for sustainable crop production

    Science.gov (United States)

    Lipiec, Jerzy; Usowicz, Boguslaw

    2017-04-01

    Sandy soils are used in agriculture in many regions of the world. The share of sandy soils in Poland is about 55%. The aim of this study was to assess spatial variability of soil physical and chemical properties affecting soil quality and crop yields in the scale of field (40 x 600 m) during three years of different weather conditions. The experimental field was located on the post glacial and acidified sandy deposits of low productivity (Szaniawy, Podlasie Region, Poland). Physical soil quality indicators included: content of sand, silt, clay and water, bulk density and those chemical: organic carbon, cation exchange capacity, acidity (pH). Measurements of the most soil properties were done at spring and summer each year in topsoil and subsoil layer in 150 points. Crop yields were evaluated in places close to measuring points of the soil properties. Basic statistics including mean, standard deviation, skewness, kurtosis minimal, maximal and correlations between the soil properties and crop yields were calculated. Analysis of spatial dependence and distribution for each property was performed using geostatistical methods. Mathematical functions were fitted to the experimentally derived semivariograms that were used for mapping the soil properties and crop yield by kriging. The results showed that the largest variations had clay content (CV 67%) and the lowest: sand content (5%). The crop yield was most negatively correlated with sand content and most positively with soil water content and cation exchange capacity. In general the exponential semivariogram models fairly good matched to empirical data. The range of semivariogram models of the measured indicators varied from 14 m to 250 m indicate high and moderate spatial variability. The values of the nugget-to-sill+nugget ratios showed that most of the soil properties and crop yields exhibited strong and moderate spatial dependency. The kriging maps allowed identification of low yielding sub-field areas that

  3. Pulsed plasma chemical synthesis of carbon-containing titanium and silicon oxide based nanocomposite

    Science.gov (United States)

    Kholodnaya, Galina; Sazonov, Roman; Ponomarev, Denis; Zhirkov, Igor

    2018-03-01

    The paper presents the results of the experimental investigation of the physical and chemical properties of the TixSiyCzOw composite nanopowders, which were first obtained using a pulsed plasma chemical method. The pulsed plasma chemical synthesis was achieved using a technological electron accelerator (TEA-500). The parameters of the electron beam are as follows: 400-450 keV electron energy, 60 ns half-amplitude pulse duration, up to 200 J pulse energy, and 5 cm beam diameter. The main physical and chemical properties of the obtained composites were studied (morphology, chemical, elemental and phase composition). The morphology of the TixSiyCzOw composites is multiform. There are large round particles, with an average size of above 150 nm. Besides, there are small particles (an average size is in the range of 15-40 nm). The morphology of small particles is in the form of crystallites. In the TixSiyCzOw synthesised composite, the peak with a maximum of 946 cm-1 was registered. The presence of IR radiation in this region of the spectrum is typical for the deformation of atomic oscillations in the Si‒О‒Ti bond, which indicates the formation of the solid solution. The composites consist of two crystal phases - anatase and rutile. The prevailing phase of the crystal structure is rutile.

  4. Applications of Process Synthesis: Moving from Conventional Chemical Processes towards Biorefinery Processes

    DEFF Research Database (Denmark)

    Yuan, Zhihong; Chen, Bingzhen; Gani, Rafiqul

    2013-01-01

    , biorefinery processes for converting biomass-derived carbohydrates into transportation fuels and chemicals are now gaining more and more attention from both academia and industry. Process synthesis, which has played a vital role for the development, design and operation of (petro) chemical processes, can...... directions in this field are also concisely discussed. An attempt is made with this perspective to stimulate more and more efforts to optimally synthesize and design biorenewable conversion process to accelerate the commercialization of the biorefinery technology and further reduce the heavily reliance......Concerns about diminishing petroleum reserves, enhanced worldwide demand for fuels and fluctuations in the global oil market, together with climate change and national security have promoted many initiatives for exploring alternative, non-petroleum based processes. Among these initiatives...

  5. OLGA. Flexible tar removal for high efficient production of clean heat and power as well as sustainable fuels and chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Zwart, R.W.R. [ECN Biomass, Coal and Environmental Research, Petten (Netherlands)

    2009-09-15

    The content of the paper lists the following subjects: The tar problem; The OLGA technology; The development with Step 1: Demonstration of high-efficient production of clean heat and power, Step 2: Developing high-efficient production of sustainable fuels and chemicals, and Step 3: Demonstrating the flexibility of the OLGA tar removal technology. Further, attention is paid to Commercial gasification projects, and finally Conclusions are formulated and an Outlook is given.

  6. Synthesis of Renewable Lubricant Alkanes from Biomass-Derived Platform Chemicals.

    Science.gov (United States)

    Gu, Mengyuan; Xia, Qineng; Liu, Xiaohui; Guo, Yong; Wang, Yanqin

    2017-10-23

    The catalytic synthesis of liquid alkanes from renewable biomass has received tremendous attention in recent years. However, bio-based platform chemicals have not to date been exploited for the synthesis of highly branched lubricant alkanes, which are currently produced by hydrocracking and hydroisomerization of long-chain n-paraffins. A selective catalytic synthetic route has been developed for the production of highly branched C 23 alkanes as lubricant base oil components from biomass-derived furfural and acetone through a sequential four-step process, including aldol condensation of furfural with acetone to produce a C 13 double adduct, selective hydrogenation of the adduct to a C 13 ketone, followed by a second condensation of the C 13 ketone with furfural to generate a C 23 aldol adduct, and finally hydrodeoxygenation to give highly branched C 23 alkanes in 50.6 % overall yield from furfural. This work opens a general strategy for the synthesis of high-quality lubricant alkanes from renewable biomass. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Novel microwave assisted chemical synthesis of Nd₂Fe₁₄B hard magnetic nanoparticles.

    Science.gov (United States)

    Swaminathan, Viswanathan; Deheri, Pratap Kumar; Bhame, Shekhar Dnyaneswar; Ramanujan, Raju Vijayaraghavan

    2013-04-07

    The high coercivity and excellent energy product of Nd2Fe14B hard magnets have led to a large number of high value added industrial applications. Chemical synthesis of Nd2Fe14B nanoparticles is challenging due to the large reduction potential of Nd(3+) and the high tendency for Nd2Fe14B oxidation. We report the novel synthesis of Nd2Fe14B nanoparticles by a microwave assisted combustion process. The process consisted of Nd-Fe-B mixed oxide preparation by microwave assisted combustion, followed by the reduction of the mixed oxide by CaH2. This combustion process is fast, energy efficient and offers facile elemental substitution. The coercivity of the resulting powders was ∼8.0 kOe and the saturation magnetization was ∼40 emu g(-1). After removal of CaO by washing, saturation magnetization increased and an energy product of 3.57 MGOe was obtained. A range of magnetic properties was obtained by varying the microwave power, reduction temperature and Nd to Fe ratio. A transition from soft to exchange coupled to hard magnetic properties was obtained by varying the composition of NdxFe1-xB8 (x varies from 7% to 40%). This synthesis procedure offers an inexpensive and facile platform to produce exchange coupled hard magnets.

  8. Synthesis of Effective Food Constituents toward the Development of Chemical Biology Investigations.

    Science.gov (United States)

    Asakawa, Tomohiro

    2016-01-01

    This article describes the development of various probes and immunogens for chemical-biological investigations of food flavonoids. We accomplished a large (gram)-scale asymmetric synthesis of a key intermediate, 5-aminopentyl deoxy epigallocatechin-3-gallate (APDOEGCg; 3), an analogue of green tea polyphenol EGCg, in which the key step was cationic cyclization utilizing neighboring group participation of the gallate carbonyl group. The synthetic APDOEGCg (3) was efficiently converted to a fluorescent probe 18 and an immunogen 19 by utilizing the high reactivity of the amine functional group. We confirmed the usefulness of these probes for imaging studies and the generation of antibodies, respectively. We also describe the efficient synthesis of a positron emission tomography (PET) probe [ 11 C]20 by incorporation of 11 C into EGCg (1), for which synthetic 4″-Me-EGCg (20) was utilized as an authentic sample. Our synthetic strategy was also applied for the practical synthesis of nobiletin (21), a polymethoxylated flavone from citrus. Synthetic nobiletin was readily converted to various probes by selective demethylation and incorporation of fluorescein, biotin or 11 C. These probes should be useful for a range of biological applications. Detailed examination of the mechanisms and further applications are in progress.

  9. Fluorescent silica nanoparticles with chemically reactive surface: Controlling spatial distribution in one-step synthesis.

    Science.gov (United States)

    Vera, María L; Cánneva, Antonela; Huck-Iriart, Cristián; Requejo, Felix G; Gonzalez, Mónica C; Dell'Arciprete, María L; Calvo, Alejandra

    2017-06-15

    The encapsulation of fluorescent dyes inside silica nanoparticles is advantageous to improve their quality as probes. Inside the particle, the fluorophore is protected from the external conditions and its main emission parameters remains unchanged even in the presence of quenchers. On the other hand, the amine-functionalized nanoparticle surface enables a wide range of applications, as amino groups could be easily linked with different biomolecules for targeting purposes. This kind of nanoparticle is regularly synthesized by methods that employ templates, additional nanoparticle formation or multiple pathway process. However, a one-step synthesis will be an efficient approach in this sort of bifunctional hybrid nanoparticles. A co-condensation sol-gel synthesis of hybrid fluorescent silica nanoparticle where developed. The chemical and morphological characterization of the particles where investigated by DRIFTS, XPS, SEM and SAXS. The nanoparticle fluorescent properties were also assessed by excitation-emission matrices and time resolved experiments. We have developed a one-pot synthesis method that enables the simultaneous incorporation of functionalities, the fluorescent molecule and the amino group, by controlling co-condensation process. An exhaustive characterization allows the definition of the spatial distribution of the fluorescent probe, fluorescein isothiocyanate, inside the particle and reactive amino groups on the surface of the nanoparticle with diameter about 100nm. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Solid-state Chemical Reaction Synthesis and Characterization of Lanthanum Tartrate Nanocrystallites Under Ultrasonication Spectra

    Science.gov (United States)

    Li, Dao-hua; He, Shao-fen; Chen, Jie; Jiang, Cheng-yan; Yang, Cheng

    2017-09-01

    Under near room temperature, by using sodium tartrate, lanthanum trichloride, lanthanum acetate, and lanthanum nitrate as reactants, we synthesize the lanthanum tartrate nanocrystals in one step under the condition that the infrared lamp is irradiated and the polyethylene glycol 400 is used as the surfactant, where the synthesis method of nanoparticles by solid phase chemical reaction is used. Deionized water after washing with ethanol washes. Tartaric acid lanthanum crystalline powder is gotten, respectively. Analyze solid products phase using X-ray diffraction (XRD) and electron diffraction; characterize the functional groups structure with infrared spectra, and analyzethe change of functional groups in drugs before and after reaction; observe the size, shape, and size distribution of particlesby transmission electron microscopy(TEM). Testing 3 types of tartaric acid crystal powder of lanthanum are nano-crystallization, solid products are granular and relatively uniform in size, with an average particle diameter of about 40 nm, and the yield rate is approximately 92.3%. Furthermore, during the synthesis, the solid-state reaction conditions including raw materials, matching proportion of reactants, additions of inert substance, addition of trace solvents, surfactants and porphyrization time, etc, all have some influence on the morphology, particle size and size distribution of the final products. During the synthesis of the lanthanum tartrate nanocrystallites, the solid state reaction conditions such as changing reactant, matching proportion of reactant, adding inert substance, joining a little solvent or surface active solvent and grinding at different times may influence morphology, particle size and the size distribution of final products.

  11. Five Decades with Polyunsaturated Fatty Acids: Chemical Synthesis, Enzymatic Formation, Lipid Peroxidation and Its Biological Effects

    Directory of Open Access Journals (Sweden)

    Angel Catalá

    2013-01-01

    Full Text Available I have been involved in research on polyunsaturated fatty acids since 1964 and this review is intended to cover some of the most important aspects of this work. Polyunsaturated fatty acids have followed me during my whole scientific career and I have published a number of studies concerned with different aspects of them such as chemical synthesis, enzymatic formation, metabolism, transport, physical, chemical, and catalytic properties of a reconstructed desaturase system in liposomes, lipid peroxidation, and their effects. The first project I became involved in was the organic synthesis of [1-14C] eicosa-11,14-dienoic acid, with the aim of demonstrating the participation of that compound as a possible intermediary in the biosynthesis of arachidonic acid “in vivo.” From 1966 to 1982, I was involved in several projects that study the metabolism of polyunsaturated fatty acids. In the eighties, we studied fatty acid binding protein. From 1990 up to now, our laboratory has been interested in the lipid peroxidation of biological membranes from various tissues and different species as well as liposomes prepared with phospholipids rich in PUFAs. We tested the effect of many antioxidants such as alpha tocopherol, vitamin A, melatonin and its structural analogues, and conjugated linoleic acid, among others.

  12. Chemical looping of metal nitride catalysts: low-pressure ammonia synthesis for energy storage.

    Science.gov (United States)

    Michalsky, R; Avram, A M; Peterson, B A; Pfromm, P H; Peterson, A A

    2015-07-01

    The activity of many heterogeneous catalysts is limited by strong correlations between activation energies and adsorption energies of reaction intermediates. Although the reaction is thermodynamically favourable at ambient temperature and pressure, the catalytic synthesis of ammonia (NH 3 ), a fertilizer and chemical fuel, from N 2 and H 2 requires some of the most extreme conditions of the chemical industry. We demonstrate how ammonia can be produced at ambient pressure from air, water, and concentrated sunlight as renewable source of process heat via nitrogen reduction with a looped metal nitride, followed by separate hydrogenation of the lattice nitrogen into ammonia. Separating ammonia synthesis into two reaction steps introduces an additional degree of freedom when designing catalysts with desirable activation and adsorption energies. We discuss the hydrogenation of alkali and alkaline earth metal nitrides and the reduction of transition metal nitrides to outline a promoting role of lattice hydrogen in ammonia evolution. This is rationalized via electronic structure calculations with the activity of nitrogen vacancies controlling the redox-intercalation of hydrogen and the formation and hydrogenation of adsorbed nitrogen species. The predicted trends are confirmed experimentally with evolution of 56.3, 80.7, and 128 μmol NH 3 per mol metal per min at 1 bar and above 550 °C via reduction of Mn 6 N 2.58 to Mn 4 N and hydrogenation of Ca 3 N 2 and Sr 2 N to Ca 2 NH and SrH 2 , respectively.

  13. Five Decades with Polyunsaturated Fatty Acids: Chemical Synthesis, Enzymatic Formation, Lipid Peroxidation and Its Biological Effects

    Science.gov (United States)

    Catalá, Angel

    2013-01-01

    I have been involved in research on polyunsaturated fatty acids since 1964 and this review is intended to cover some of the most important aspects of this work. Polyunsaturated fatty acids have followed me during my whole scientific career and I have published a number of studies concerned with different aspects of them such as chemical synthesis, enzymatic formation, metabolism, transport, physical, chemical, and catalytic properties of a reconstructed desaturase system in liposomes, lipid peroxidation, and their effects. The first project I became involved in was the organic synthesis of [1-14C] eicosa-11,14-dienoic acid, with the aim of demonstrating the participation of that compound as a possible intermediary in the biosynthesis of arachidonic acid “in vivo.” From 1966 to 1982, I was involved in several projects that study the metabolism of polyunsaturated fatty acids. In the eighties, we studied fatty acid binding protein. From 1990 up to now, our laboratory has been interested in the lipid peroxidation of biological membranes from various tissues and different species as well as liposomes prepared with phospholipids rich in PUFAs. We tested the effect of many antioxidants such as alpha tocopherol, vitamin A, melatonin and its structural analogues, and conjugated linoleic acid, among others. PMID:24490074

  14. Contribution of microreactor technology and flow chemistry to the development of green and sustainable synthesis.

    Science.gov (United States)

    Fanelli, Flavio; Parisi, Giovanna; Degennaro, Leonardo; Luisi, Renzo

    2017-01-01

    Microreactor technology and flow chemistry could play an important role in the development of green and sustainable synthetic processes. In this review, some recent relevant examples in the field of flash chemistry, catalysis, hazardous chemistry and continuous flow processing are described. Selected examples highlight the role that flow chemistry could play in the near future for a sustainable development.

  15. Contribution of microreactor technology and flow chemistry to the development of green and sustainable synthesis

    Directory of Open Access Journals (Sweden)

    Flavio Fanelli

    2017-03-01

    Full Text Available Microreactor technology and flow chemistry could play an important role in the development of green and sustainable synthetic processes. In this review, some recent relevant examples in the field of flash chemistry, catalysis, hazardous chemistry and continuous flow processing are described. Selected examples highlight the role that flow chemistry could play in the near future for a sustainable development.

  16. Synthesis and characterizations of ferrite nanomaterials for phenyl hydrazine chemical sensor applications.

    Science.gov (United States)

    Al-Heniti, S H; Umar, Ahmad; Zaki, H M; Dar, G N; Al-Ghamdi, A A; Kim, S H

    2014-05-01

    This paper presents the synthesis, characterization and phenyl hydrazine chemical sensing applications of Cd0.5Mg0.5Fe2O4 ferrite nanoparticles. The nanoparticles were synthesized by facile and simple co-precipitation method and characterized in detail in terms of their morphological, structural, compositional and electrical properties. The detailed characterization studies revealed that the prepared nanoparticles are grown in high density, possessing Cd0.5Mg0.5Fe2O4 composition and exhibiting spinel cubic structure. Moreover, the prepared Cd0.5Mg0.5Fe2O4 ferrite nanoparticles were used as efficient electron mediators for the fabrication of high-sensitive, robust, reliable and reproducible phenyl hydrazine chemical sensor by simple I-V technique. The fabricated chemical sensor exhibits a highsensitivity of 7.01 microA mM(-1) cm(-2) with an experimental detection limit of 3.125 mM in a short response time of -10.0 s. This work demonstrates that Cd0.5Mg0.5Fe2O4 ferrite nanoparticles can efficiently be utilized for the fabrication of highly sensitive and reliable chemical sensors.

  17. Synthesis and characterization of chemically functionalized shape memory nanofoams for unattended sensing applications

    Science.gov (United States)

    Soliani, Anna Paola

    The work in this dissertation is devoted to the synthesis and characterization of novel materials for off-line unattended sensing: shape-memory grafted nanofoams. The fabrication process and characterization of highly efficient, polymeric nanosensor element with the ability to selectively detect analytes and retain memory of specific exposure events is reported. These shape memory nanofoams could potentially act as efficient and highly sensitive coatings for evanescent waveguide-based optical monitoring systems. On exposure to specific analytes, the polymeric coatings locally change their internal structure irreversibly at the nanolevel, affecting the local optical properties such as refractive index. Currently, enrichment polymer layers (EPLs) are currently being used to detect of chemical vapors. EPLs are thin polymer films that can increase signal of an analyte through absorption. These films are designed to interact with analytes via chemical interactions while this analyte is present in the environment. Once the analyte is removed from the environment surrounding the EPL, these EPLs have no residual memory of the interaction(s). This dissertation will address this limitation in the field of chemical unattended sensing through the use of functionalized polymeric films that possess ability to retain memory of analyte exposure. Specifically, we will use chemically cross-linked gradient nanofoam as a material with built-in analyte-specific sensing properties. A novel method has been created to fabricate chemically functionalized shape memory nanofoams. First, a polymer film containing epoxy groups is deposited onto a substrate. Then, the film is cross-linked via reaction of the epoxy groups to create a non-soluble, yet swellable coating. This film is then treated with specific chemical substances capable of reacting with the epoxy functionalities. This procedure is necessary to convert the epoxy groups into various functional moieties. This process generates a

  18. Controlling nanomaterial synthesis, chemical reactions and self assembly in dynamic thin films.

    Science.gov (United States)

    Chen, Xianjue; Smith, Nicole M; Iyer, K Swaminathan; Raston, Colin L

    2014-03-07

    Recent advances in continuous-flow processors, which integrate sustainability metrics including scalability, have established their utility in materials and chemical processing. In this review the spinning disc processor (SDP) and the related rotating tube processor (RTP), are highlighted in the use of highly sheared and micro-mixed dynamic thin films in gaining control over such processing for a wide range of applications. Both SDP and RTP have a number of control parameters beyond traditional batch processing which are effective in (i) manipulating the size, shape, defects, agglomeration, and precipitation of nanoparticles, as well as decorating preformed nano-structures, for a variety of inorganic and organic compounds, (ii) controlling chemical reactivity and selectivity including the formation of polymers, and (iii) disassembling self organised nano-structures, as a tool for probing macromolecular structure under shear conditions.

  19. Degradation of non-vulcanized natural rubber - renewable resource for fine chemicals used in polymer synthesis

    Directory of Open Access Journals (Sweden)

    Alexander Fainleib

    2013-01-01

    Full Text Available In the current scenario, there is growing interest in the products of degradation of rubber (natural and synthetic for specific applications in different industry sectors, whose benefits in replacing conventionally used products are mainly related to sustainability. Since the degradation products of rubber can be used in different areas, several research groups may have the interest aroused by these products, but are not familiar with the aspects related to the chemical behavior of rubber. This review aims to bring together the key information in the published literature on the degradation of natural rubber, emphasizing metatheses reactions, oxidative damage and splitting of the double bond, in order to serve as a reference source for researchers from different fields interested in obtaining such kind of products. The structures and properties as well as additional chemical transformations resulting in oligomers of isoprene, functionalised oligomers and polymers based on both are also described.

  20. Sustainable Strategy Utilizing Biomass: Visible-Light-Mediated Synthesis of gamma-Valerolactone

    Data.gov (United States)

    U.S. Environmental Protection Agency — A novel sustainable approach to valued g-valerolactone was investigated. This approach exploits the visible-light-mediated conversion of biomass-derived levulinic...

  1. Wet chemical synthesis of chitosan hydrogel-hydroxyapatite composite membranes for tissue engineering applications.

    Science.gov (United States)

    Madhumathi, K; Shalumon, K T; Rani, V V Divya; Tamura, H; Furuike, T; Selvamurugan, N; Nair, S V; Jayakumar, R

    2009-07-01

    Chitosan, a deacetylated derivative of chitin is a commonly studied biomaterial for tissue-engineering applications due to its biocompatibility, biodegradability, low toxicity, antibacterial activity, wound healing ability and haemostatic properties. However, chitosan has poor mechanical strength due to which its applications in orthopedics are limited. Hydroxyapatite (HAp) is a natural inorganic component of bone and teeth and has mechanical strength and osteoconductive property. In this work, HAp was deposited on the surface of chitosan hydrogel membranes by a wet chemical synthesis method by alternatively soaking the membranes in CaCl(2) (pH 7.4) and Na(2)HPO(4) solutions for different time intervals. These chitosan hydrogel-HAp membranes were characterized using SEM, AFM, EDS, FT-IR and XRD analyses. MTT assay was done to evaluate the biocompatibility of these membranes using MG-63 osteosarcoma cells. The biocompatibility studies suggest that chitosan hydrogel-HAp composite membranes can be useful for tissue-engineering applications.

  2. Synthesis of low leakage current chemical vapour deposited (CVD) diamond films for particle detection

    Science.gov (United States)

    Bacci, T.; Borchi, E.; Bruzzi, M.; Meier, D.; Santoro, M.; Sciortino, S.

    1998-02-01

    We report on synthesis of diamond films by direct current glow discharge chemical vapour deposition (CVD) prepared at different deposition conditions, for application in high energy physics. The syntesis apparatus is briefly described. Continuous undoped diamond samples have been grown onto Mo substrates with a deposition area up to 1 cm 2 and an electrical resistivity as high as 10 13 Ωcm. The deposition parameters are related to the material properties of the diamonds, investigated by optical spectroscopy, electron microscopy and diffraction analysis. Decreasing the linear growth rate results in good quality films with small remnants of graphite-like phases. The high crystalline quality and phase purity of the films are related to very low values of leakage currents. The particle induced conductivity of these samples is also studied and preliminary results on charge collection efficiency are presented.

  3. Chemical synthesis and enzymatic testing of CMP-sialic acid derivatives.

    Science.gov (United States)

    Wolf, Saskia; Warnecke, Svenja; Ehrit, Jörg; Freiberger, Friedrich; Gerardy-Schahn, Rita; Meier, Chris

    2012-11-26

    The cycloSal approach has been used in the past for the synthesis of a range of phosphorylated bioconjugates. In those reports, cycloSal nucleotides were allowed to react with different phosphate nucleophiles. With glycopyranosyl phosphates as nucleophiles, diphosphate-linked sugar nucleotides were formed. Here, cycloSal-nucleotides were used to prepare monophosphate-linked sugar nucleotides successfully in high anomeric purity and high chemical yield. The method was successfully used for the synthesis of three nucleotide glycopyranoses as model compounds. The method was then applied to the syntheses of CMP-N-acetyl-neuraminic acids (CMP-Neu5NAc) and of four derivatives with different modifications at their amino functions (N-propanoyl, N-butanoyl, N-pentanoyl and N-cyclopropylcarbonyl). The compounds were used for initial enzymatic studies with a bacterial polysialyltransferase (polyST). Surprisingly, the enzyme showed marked differences in terms of utilisation of the four derivatives. The N-propanoyl, N-butanoyl, and N-pentanoyl derivatives were efficiently used in a first transfer with a fluorescently labelled trisialo-acceptor. However, elongation of the resulting tetrasialo-acceptors worsened progressively with the size of the N-acyl chain. The N-pentanoyl derivative allowed a single transfer, leading to a capped tetramer. The N-cyclopropylcarbonyl derivative was not transferred. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Chemical synthesis, characterization and evaluation of antimicrobial properties of Cu and its oxide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Moshalagae Motlatle, Abesach, E-mail: AMotlatle@csir.co.za; Kesavan Pillai, Sreejarani, E-mail: skpillai@csir.co.za; Rudolf Scriba, Manfred, E-mail: MRscriba@csir.co.za; Sinha Ray, Suprakas, E-mail: Rsuprakas@csir.co.za [Council for Scientific and Industrial Research, DST/CSIR Nanotechnology Innovation Centre, National Centre for Nano-Structured Materials (South Africa)

    2016-10-15

    Cu nanoparticles were synthesized using low-temperature aqueous reduction method at pH 3, 5, 7, 9 and 11 in presence of ascorbic acid and polyvinylpyrrolidone. The nanoparticles were characterized using transmission electron microscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray diffraction techniques. Results demonstrated a strong dependence of synthesis pH on the size, shape, chemical composition and structure of Cu nanoparticles. While lower pH conditions of 3 and 5 produced Cu{sup 0}, higher pH levels (more than 7) led to the formation of Cu{sub 2}O/CuO nanoparticles. The reducing capacity of ascorbic acid, capping efficiency of PVP and the resulting particle sizes were strongly affected by solution pH. The results of in vitro disk diffusion tests showed excellent antimicrobial activity of Cu{sub 2}O/CuO nanoparticles against a mixture of bacterial strains (Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa), indicating that the size as well as oxidation state of Cu contributes to the antibacterial efficacy. The results indicate that varying synthesis pH is a strategy to tailor the composition, structure and properties of Cu nanoparticles.

  5. Copper Nanoparticles Mediated by Chitosan: Synthesis and Characterization via Chemical Methods

    Directory of Open Access Journals (Sweden)

    Muhammad Sani Usman

    2012-12-01

    Full Text Available Herein we report a synthesis of copper nanoparticles (Cu-NPs in chitosan (Cts media via a chemical reaction method. The nanoparticles were synthesized in an aqueous solution in the presence of Cts as stabilizer and CuSO4·5H2O precursor. The synthesis proceeded with addition of NaOH as pH moderator, ascorbic acid as antioxidant and hydrazine as the reducing agent. The characterization of the prepared NPs was done using ultraviolet-visible spectroscopy, which showed a 593 nm copper band. The Field Emission Scanning Electron Microscope (FESEM images were also observed, and found to be in agreement with the UV-Vis result, confirming the formation of metallic Cu-NPs. The mean size of the Cu-NPs was estimated to be in the range of 35–75 nm using X-ray diffraction. XRD was also used in analysis of the crystal structure of the NPs. The interaction between the chitosan and the synthesized NPs was studied using Fourier transform infrared (FT-IR spectroscopy, which showed the capping of the NPs by Cts.

  6. Laser-assisted chemical vapor deposition setup for fast synthesis of graphene patterns

    Science.gov (United States)

    Zhang, Chentao; Zhang, Jianhuan; Lin, Kun; Huang, Yuanqing

    2017-05-01

    An automatic setup based on the laser-assisted chemical vapor deposition method has been developed for the rapid synthesis of graphene patterns. The key components of this setup include a laser beam control and focusing unit, a laser spot monitoring unit, and a vacuum and flow control unit. A laser beam with precision control of laser power is focused on the surface of a nickel foil substrate by the laser beam control and focusing unit for localized heating. A rapid heating and cooling process at the localized region is induced by the relative movement between the focalized laser spot and the nickel foil substrate, which causes the decomposing of gaseous hydrocarbon and the out-diffusing of excess carbon atoms to form graphene patterns on the laser scanning path. All the fabrication parameters that affect the quality and number of graphene layers, such as laser power, laser spot size, laser scanning speed, pressure of vacuum chamber, and flow rates of gases, can be precisely controlled and monitored during the preparation of graphene patterns. A simulation of temperature distribution was carried out via the finite element method, providing a scientific guidance for the regulation of temperature distribution during experiments. A multi-layer graphene ribbon with few defects was synthesized to verify its performance of the rapid growth of high-quality graphene patterns. Furthermore, this setup has potential applications in other laser-based graphene synthesis and processing.

  7. Modified chemical synthesis of porous α-Sm{sub 2}S{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kumbhar, V.S.; Jagadale, A.D. [Thin Film Physics Laboratory, Department of Physics, Shivaji University, Kolhapur, (M.S.) 416004 (India); Gaikwad, N.S. [Rayat Shikshan Sanstha, Satara, (M.S.) 415 001 (India); Lokhande, C.D., E-mail: l_chandrakant@yahoo.com [Thin Film Physics Laboratory, Department of Physics, Shivaji University, Kolhapur, (M.S.) 416004 (India)

    2014-08-15

    Highlights: • A novel chemical route to prepare α-Sm{sub 2}S{sub 3} thin films. • A porous honeycomb like morphology of the α-Sm{sub 2}S{sub 3} thin film. • An application of α-Sm{sub 2}S{sub 3} thin film toward its supercapacitive behaviour. - Abstract: The paper reports synthesis of porous α-Sm{sub 2}S{sub 3} thin films using modified chemical synthesis, also known as successive ionic layer adsorption and reaction (SILAR) method. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), wettability and ultraviolet–visible spectroscopy (UV–vis) techniques are used for the study of structural, elemental, morphological and optical properties of α-Sm{sub 2}S{sub 3} films. An orthorhombic crystal structure of α-Sm{sub 2}S{sub 3} is resulted from XRD study. The SEM and AFM observations showed highly porous α-Sm{sub 2}S{sub 3} film surface. An optical band gap of 2.50 eV is estimated from optical absorption spectrum. The porous α-Sm{sub 2}S{sub 3} thin film tuned for supercapacitive behaviour using cyclic voltammetry and galvanostatic charge discharge showed a specific capacitance and energy density of 294 Fg{sup –1} and 48.9 kW kg{sup –1}, respectively in 1 M LiClO{sub 4}–propylene carbonate electrolyte.

  8. Sustainable Production of Bulk Chemicals by Application of “White Biotechnology”

    NARCIS (Netherlands)

    Patel, M.K.; Dornburg, V.; Hermann, B.G.; Shen, L.; Overbeek, van L.S.

    2008-01-01

    Abstract Practically all organic chemicals and plastics are nowadays produced from crude oil and natural gas. However, it is possible to produce a wide range of bulk chemicals from renewable resources by application of biotechnology. This paper focuses on White Biotechnology, which makes use of

  9. Reducing aquatic hazards of industrial chemicals: probabilistic assessment of sustainable molecular design guidelines.

    Science.gov (United States)

    Connors, Kristin A; Voutchkova-Kostal, Adelina M; Kostal, Jakub; Anastas, Paul; Zimmerman, Julie B; Brooks, Bryan W

    2014-08-01

    Basic toxicological information is lacking for the majority of industrial chemicals. In addition to increasing empirical toxicity data through additional testing, prospective computational approaches to drug development aim to serve as a rational basis for the design of chemicals with reduced toxicity. Recent work has resulted in the derivation of a "rule of 2," wherein chemicals with an octanol-water partition coefficient (log P) less than 2 and a difference between the lowest unoccupied molecular orbital and the highest occupied molecular orbital (ΔE) greater than 9 (log P9 eV) are predicted to be 4 to 5 times less likely to elicit acute or chronic toxicity to model aquatic organisms. The present study examines potential reduction of aquatic toxicity hazards from industrial chemicals if these 2 molecular design guidelines were employed. Probabilistic hazard assessment approaches were used to model the likelihood of encountering industrial chemicals exceeding toxicological categories of concern both with and without the rule of 2. Modeling predicted that utilization of these molecular design guidelines for log P and ΔE would appreciably decrease the number of chemicals that would be designated to be of "high" and "very high" concern for acute and chronic toxicity to standard model aquatic organisms and end points as defined by the US Environmental Protection Agency. For example, 14.5% of chemicals were categorized as having high and very high acute toxicity to the fathead minnow model, whereas only 3.3% of chemicals conforming to the design guidelines were predicted to be in these categories. Considerations of specific chemical classes (e.g., aldehydes), chemical attributes (e.g., ionization), and adverse outcome pathways in representative species (e.g., receptor-mediated responses) could be used to derive future property guidelines for broader classes of contaminants. © 2014 SETAC.

  10. Organic reaction systems: using microcapsules and microreactors to perform chemical synthesis.

    Science.gov (United States)

    Longstreet, Ashley R; McQuade, D Tyler

    2013-02-19

    The appetite for complex organic molecules continues to increase worldwide, especially in rapidly developing countries such as China, India, and Brazil. At the same time, the cost of raw materials and solvent waste disposal is also growing, making sustainability an increasingly important factor in the production of synthetic life-saving/improving compounds. With these forces in mind, our group is driven by the principle that how we synthesize a molecule is as important as which molecule we choose to synthesize. We aim to define alternative strategies that will enable more efficient synthesis of complex molecules. Drawing our inspiration from nature, we attempt to mimic (1) the multicatalytic metabolic systems within cells using collections of nonenzyme catalysts in batch reactors and (2) the serial synthetic machinery of fatty acid/polyketide biosynthesis using microreactor systems. Whether we combine catalysts in batch to prepare an active pharmaceutical ingredient (API) or use microreactors to synthesize small or polymeric molecules, we strive to understand the mechanism of each reaction while also developing new methods and techniques. This Account begins by examining our early efforts in the development of novel catalytic materials and characterization of catalytic systems and how these observations helped forge our current models for developing efficient synthetic routes. The Account progresses through a focused examination of design principles needed to develop multicatalyst systems using systems recently published by our group as examples. Our systems have been successfully applied to produce APIs as well as new synthetic methods. The multicatalyst section is then juxtaposed with our work in continuous flow multistep synthesis. Here, we discuss the design principles needed to create multistep continuous processes using examples from our recent efforts. Overall, this Account illustrates how multistep organic routes can be conceived and achieved using

  11. Top Value Added Chemicals From Biomass. Volume 1 - Results of Screening for Potential Candidates From Sugars and Synthesis Gas

    Science.gov (United States)

    2004-08-01

    detergents, pharmaceuticals, suntan lotion, medical- dental products, disinfectants , aspirin Iso-synthesis products Fischer-Tropsch Liquids C3 C4 Aspartic...propionol, acrylate Pharma. Intermediates Polyvinyl acetate Polyvinyl alcohol Specialty chemical intermediate Polyethers Polypyrrolidones Resins ...via catalytic dehydrogenation ....... 14 Table 7 Dehydrative Transformation – 3-HPA to acrylic acid via catalytic dehydration .... 14 Table 8 Pathways

  12. Choosing the right platform for the right product: Sustainable production of chemicals in microbial cell factories

    DEFF Research Database (Denmark)

    Herrgard, Markus

    The Novo Nordisk Foundation Center for Biosustainability (CFB) is a new non-profit research center focused on sustainable production of biochemicals and therapeutic proteins using microbial and mammalian cell factories. The work at CFB is organized around an iterative loop where cell factories...

  13. Carbon dioxide: a raw material and a future chemical fuel for a sustainable energy industry

    Science.gov (United States)

    Amouroux, J.; Siffert, P.

    2011-03-01

    Carbon dioxide is a major raw material of the future, for the capture plants which use amines, aminoacids, ammonia or zeolites. This very high purity raw material (99.9 %) opens the way of a new industrial revolution in agreement with the proposal of Nobel Prize laureates and the DOE strategy. Our goal is to explain the large advantages and the main routes for CO2 valorization, which are starting around the world. The most promising ways for this valorization are methanol synthesis as fuel for transportation and methane formation for electricity network regulation. The first way allows the use of liquid fuels, as distribution infrastructure already exists; instead of gaseous fuels (H2), for which there is storage, distribution problems and no infrastructure exist. The second way is methane synthesis during off-peak hours and burning of this methane during peak hours in order to regulate the electric network.

  14. Hydrogen fluoride (HF) substance flow analysis for safe and sustainable chemical industry.

    Science.gov (United States)

    Kim, Junbeum; Hwang, Yongwoo; Yoo, Mijin; Chen, Sha; Lee, Ik-Mo

    2017-11-01

    In this study, the chemical substance flow of hydrogen fluoride (hydrofluoric acid, HF) in domestic chemical industries in 2014 was analyzed in order to provide a basic material and information for the establishment of organized management system to ensure safety during HF applications. A total of 44,751 tons of HF was made by four domestic companies (in 2014); import amount was 95,984 tons in 2014 while 21,579 tons of HF was imported in 2005. The export amount of HF was 2180 tons, of which 2074 ton (China, 1422 tons, U.S. 524 tons, and Malaysia, 128 tons) was exported for the manufacturing of semiconductors. Based on the export and import amounts, it can be inferred that HF was used for manufacturing semiconductors. The industries applications of 161,123 tons of HF were as follows: manufacturing of basic inorganic chemical substance (27,937 tons), manufacturing of other chemical products such as detergents (28,208 tons), manufacturing of flat display (24,896 tons), and manufacturing of glass container package (22,002 tons). In this study, an analysis of the chemical substance flow showed that HF was mainly used in the semiconductor industry as well as glass container manufacturing. Combined with other risk management tools and approaches in the chemical industry, the chemical substance flow analysis (CSFA) can be a useful tool and method for assessment and management. The current CSFA results provide useful information for policy making in the chemical industry and national systems. Graphical abstract Hydrogen fluoride chemical substance flows in 2014 in South Korea.

  15. Progress in palladium-based catalytic systems for the sustainable synthesis of annulated heterocycles: a focus on indole backbones.

    Science.gov (United States)

    Platon, Mélanie; Amardeil, Régine; Djakovitch, Laurent; Hierso, Jean-Cyrille

    2012-05-21

    A survey highlighting the most recent palladium catalytic systems produced and their performances for progress in direct synthesis of indole backbones by heterocarbocyclization of reactive substrates is provided. The discussion is developed in relation with the principles of sustainable chemistry concerning atom and mass economy. In this respect, the general convergent character of the syntheses is of particular interest (one-pot, domino, cascade or tandem reactions), and the substrates accessibility and reactivity, together with the final waste production, are also important. This critical review clearly indicates that the development of ligand chemistry, mainly phosphines and carbenes, in the last few decades gave a significant impetus to powerful functionalization of indoles at virtually all positions of this ubiquitous backbone (118 references).

  16. Sweet and Sustainable: Teaching the Biorefinery Concept through Biobased Gelator Synthesis

    Science.gov (United States)

    Hwang, Hyeondo Luke; Jadhav, Swapnil Rohidas; Silverman, Julian Robert; John, George

    2014-01-01

    Undergraduate curricula have increasingly incorporated sustainable and environmentally friendly approaches in the laboratory. Learning outcomes have emphasized the importance of the principles of green chemistry, but experiments may fail to impress upon the students that large-scale conversions of biomass into a spectrum of value-added products…

  17. A conceptual synthesis of organisational transformation: How to diagnose, and navigate, pathways for sustainability at universities?

    NARCIS (Netherlands)

    Baker-Shelley, Alex; van Zeijl - Rozema, Annemarie; Martens, Pim

    2017-01-01

    Universities will play a profound role in a century in which society will be judged by its capacity for self-transformation in response to pandemic crises of climate change and capitalism. Frameworks of analysis of sustainability in organisations could benefit from tangible systemic rubrics for

  18. A sustainability Driven Methodology for Process Synthesis in Agro-Food Industry

    NARCIS (Netherlands)

    Jonkman, J.; Bloemhof-Ruwaard, J.M.; Vorst, van der J.G.A.J.; Padt, van der A.

    2015-01-01

    Within the agro-food industry, agro-materials are converted into a range of valuable semi-finished and finished products. To reach a sustainable, resource efficient food system, the optimal process pathways converting the agro-material into these products have to be identified. To identify these

  19. A Sustainability Driven Methodology for Process Synthesis in Agro-Food Industry

    NARCIS (Netherlands)

    Jonkman, J.; Bloemhof, J.M.; Vorst, van der J.G.A.J.; Padt, van der A.

    2015-01-01

    Within the agro-food industry, agro-materials are converted into a range of valuable semi-finished and finished products. To reach a sustainable, resource efficient food system, the optimal process pathways converting the agro-material into these products have to be identified. To identify these

  20. Greener Biomimetic Approach to the Synthesis of Nanomaterials using Antioxidants and their Sustainable Applications

    Science.gov (United States)

    The presentation summarizes our sustainable synthetic activity for the preparation of nanoparticles involving benign alternatives which reduces or eliminates the use and generation of hazardous substances. Vitamins B1, B2, C, and tea and wine polyphenols which function both as r...

  1. Toward a Unified Knowledge-based Society for Sustainability -- Developing a Synthesis on the Methodological Level

    Science.gov (United States)

    Alec A. Schaerer

    2006-01-01

    The debates on development manifest an increasing concern for sustainability, but as yet little awareness of the hierarchy in the ideas through which humans contribute to the problem. This gap is widened by a widespread but nevertheless unnecessary acceptance of unreasonable elements such as paradoxes, or the general fragmentation in knowledge, or allegedly general...

  2. A Dual-Stage Hydrothermal Flow Reactor for Green and Sustainable Synthesis of Advanced Hybrid Nanomaterials

    DEFF Research Database (Denmark)

    Hellstern, Henrik Christian Lund

    2016-01-01

    a material is precipitated either as a nanoshell or as a free, ungrafted particle. The presence of core-particles has profound implications for the crystal size, structure and composition of the nucleating shell material as demonstrated by depositing 2 nm shells of CuO/Cu2O, NiOxLy and Zn6(OH)6(CO3)2 on a 20...... nm magnetic core. SiO2 nanoshells on γ-Fe2O3, TiO2 and α-Fe2O3 cores demonstrate that morphology depends strongly on the synthesis pH. This factor governs if the shell is thin and uniform or thick and irregular. An electrostatic model is developed for identifying synthesis parameters which allows...

  3. THE ACTIVE INTEGRATED CIRCULAR PROCESS – EXPRESSION OF MAXIMUM SYNTHESIS OF SUSTAINABLE DEVELOPMENT

    Directory of Open Access Journals (Sweden)

    Done Ioan

    2015-06-01

    Full Text Available "The accelerated pace of economic growth, prompted by the need to ensure reducing disparities between the various countries, has imposed in the last two decades the adoption of sustainable development principles, particularly as a result of the Rio Declaration on Environment and Development (1992 and the UNESCO Declaration in the fall of 1997. In specific literature, in essence, sustainable development is considered "an economic and social process that is characterized by a simultaneous and concerted action at global, regional and local level. Its objective is to provide living conditions both for the present and forth future. Sustainable development “encompasses the economic, ecological, social and political aspects, linked through cultural and spiritual relationships."(Coşea, 2007In Romania, achieving sustainable development is a major, difficult objective, because it must be done in terms of convergence to the demands of the economic, social, cultural and political context of the EU, and in terms of the completion of the transition to a functioning and competitive market economy. In this context, it is imposed the economic competitiveness through reindustrialization and not least, by harnessing the active integrated circular process. Gross value added and profit chain in the structures of active integrated circular process must reflect the interests of the forces involved(employers, employees and the statethereby forming the basis of respect for the correlation between sustainable development, economic growth and increasing national wealth. The elimination or marginalization of certain links in the value chain and profit causes major disruptions or bankruptcy, with direct implications for recognizing and rewarding performance. Essentially, the building of active integrated circular process will determine the maximization of the profit – the foundation of satisfying all economic interests.

  4. Synthesis of ZnO nanopencils using wet chemical method and its investigation as LPG sensor

    Energy Technology Data Exchange (ETDEWEB)

    Shimpi, Navinchandra G., E-mail: navin_shimpi@rediffmail.com [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Jain, Shilpa [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Karmakar, Narayan [Department of Physics, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Shah, Akshara [Department of Chemistry, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Kothari, D.C. [Department of Physics, University of Mumbai, Santacruz (East), Mumbai-400098 (India); National Centre for Nanosciences & Nanotechnology, University of Mumbai, Santacruz (East), Mumbai-400098 (India); Mishra, Satyendra [University Institute of Chemical Technology, North Maharashtra University, Jalgaon (India)

    2016-12-30

    Highlights: • Synthesis using a simple and cost-effective wet chemical process. • Uniform, monodispersed and pure nanoparticles. • Pencil shaped rods with sharp tips. • Understanding of Growth mechanism. • Efficient LPG sensing with high response. • Morphology dependent sensing. - Abstract: ZnO nanopencils (NPCs) were prepared by a novel wet chemical process, using triethanolamine (TEA) as a mild base, which is relatively simple and cost effective method as compared to hydrothermal method. ZnO NPCs were characterized using powder X-ray diffraction (XRD), Fourier Transform Infra-Red (FTIR) spectroscopy in mid-IR and far-IR regions, X-ray Photoelectron Spectroscopy (XPS), UV–vis (UV–vis) absorption spectroscopy, room temperature Photoluminescence (PL) spectroscopy and Field Emission Scanning Electron Microscopy (FESEM). ZnO NPCs obtained, were highly pure, uniform and monodispersed.XRD pattern indicated hexagonal unit cell structure with preferred orientation along the c-axis. Sensing behaviour of ZnO NPCs was studied towards Liquefied Petroleum Gas (LPG) at different operating temperatures. The study shows that ZnO NPCs were most sensitive and promising candidate for detection of LPG at 250 °C with gas sensitivity > 60%. The high response towards LPG is due to high surface area of ZnO NPCs and their parallel alignment.

  5. Synthesis and characterization of hydroxyapatite nanofiber by chemical precipitation method using surfactants

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Shan, E-mail: coralgao@hotmail.com [Key Laboratory for Liquid-Solid Structure Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Engineering Ceramics Key Laboratory of Shandong Province, Shandong University, Jinan 250061 (China); Sun, Kangning, E-mail: sunkangning@sdu.edu.cn [Key Laboratory for Liquid-Solid Structure Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Engineering Ceramics Key Laboratory of Shandong Province, Shandong University, Jinan 250061 (China); Li, Aimin; Wang, Hongyou [Key Laboratory for Liquid-Solid Structure Evolution and Processing of Materials (Ministry of Education), Shandong University, Jinan 250061 (China); Engineering Ceramics Key Laboratory of Shandong Province, Shandong University, Jinan 250061 (China)

    2013-03-15

    Highlights: ► We succeeded in synthesizing hydroxyapatite nano fibers by a chemical method. ► The reaction temperature is only 90 °C. ► The synthetic hydroxyapatite nano fiber is single crystal. - Abstract: We report a novel chemical precipitation route for the synthesis of hydroxyapatite (Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}, HA) fibers using surfactants as templates. Fourier transform infrared spectroscopy (FTIR) and powder X-ray diffraction (PXRD) reveal the characteristic peaks of HA. Transmission electron microscope (TEM) and high-resolution TEM revealed the nano structure, crystallinity and morphology of the HA fibers. The morphology of the HA fibers after calcinations were characterized by scanning electron microscope (SEM). Br{sup −} ions were quickly replaced by the excess PO{sub 4}{sup 3−} ions in the solution after the addition of cetyltrime-thylammonium bromide (CTAB). Meanwhile, CTAB formed a rod-like micelles. Precursors reacted with PO{sub 4}{sup 3−} at the surface of CTAB micelles and finally formed the nanofiber structure.

  6. Density functional theory molecular modeling, chemical synthesis, and antimicrobial behaviour of selected benzimidazole derivatives

    Science.gov (United States)

    Marinescu, Maria; Tudorache, Diana Gabriela; Marton, George Iuliu; Zalaru, Christina-Marie; Popa, Marcela; Chifiriuc, Mariana-Carmen; Stavarache, Cristina-Elena; Constantinescu, Catalin

    2017-02-01

    Eco-friendly, one-pot, solvent-free synthesis of biologically active 2-substituted benzimidazoles is presented and discussed herein. Novel N-Mannich bases are synthesized from benzimidazoles, secondary amines and formaldehyde, and their structures are confirmed by 1H nuclear magnetic resonance (NMR), Fourier transform infrared (FTIR), and elemental analysis. All benzimidazole derivatives are evaluated by qualitative and quantitative methods against 9 bacterial strains. The largest microbicide and anti-biofilm effect is observed for the 2-(1-hydroxyethyl)-compounds. Density functional theory (DFT) modeling of the molecular structure and frontier molecular orbitals, i.e. highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO/LUMO), is accomplished by using the GAMESS 2012 software. Antimicrobial activity is correlated with the electronic parameters (chemical hardness, electronic chemical potential, global electrophilicity index), Mullikan atomic charges and geometric parameters of the benzimidazole compounds. The planarity of the compound, symmetry of the molecule, and the presence of a nucleophilic group, are advantages for a high antimicrobial activity. Finally, we briefly show that further accurate processing of such compounds into thin films and hybrid structures, e.g. by laser ablation matrix-assisted pulsed laser evaporation and/or laser-induced forward transfer, may indeed provide simple and environmental friendly, state-of-the-art solutions for antimicrobial coatings.

  7. Chemical dynamics of triacetylene formation and implications to the synthesis of polyynes in Titan's atmosphere.

    Science.gov (United States)

    Gu, X; Kim, Y S; Kaiser, R I; Mebel, A M; Liang, M C; Yung, Y L

    2009-09-22

    For the last four decades, the role of polyynes such as diacetylene (HCCCCH) and triacetylene (HCCCCCCH) in the chemical evolution of the atmosphere of Saturn's moon Titan has been a subject of vigorous research. These polyacetylenes are thought to serve as an UV radiation shield in planetary environments; thus, acting as prebiotic ozone, and are considered as important constituents of the visible haze layers on Titan. However, the underlying chemical processes that initiate the formation and control the growth of polyynes have been the least understood to date. Here, we present a combined experimental, theoretical, and modeling study on the synthesis of the polyyne triacetylene (HCCCCCCH) via the bimolecular gas phase reaction of the ethynyl radical (CCH) with diacetylene (HCCCCH). This elementary reaction is rapid, has no entrance barrier, and yields the triacetylene molecule via indirect scattering dynamics through complex formation in a single collision event. Photochemical models of Titan's atmosphere imply that triacetylene may serve as a building block to synthesize even more complex polyynes such as tetraacetylene (HCCCCCCCCH).

  8. Synthesis of Graphene Nanoribbons by Ambient-Pressure Chemical Vapor Deposition and Device Integration.

    Science.gov (United States)

    Chen, Zongping; Zhang, Wen; Palma, Carlos-Andres; Lodi Rizzini, Alberto; Liu, Bilu; Abbas, Ahmad; Richter, Nils; Martini, Leonardo; Wang, Xiao-Ye; Cavani, Nicola; Lu, Hao; Mishra, Neeraj; Coletti, Camilla; Berger, Reinhard; Klappenberger, Florian; Kläui, Mathias; Candini, Andrea; Affronte, Marco; Zhou, Chongwu; De Renzi, Valentina; Del Pennino, Umberto; Barth, Johannes V; Räder, Hans Joachim; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus

    2016-11-30

    Graphene nanoribbons (GNRs), quasi-one-dimensional graphene strips, have shown great potential for nanoscale electronics, optoelectronics, and photonics. Atomically precise GNRs can be "bottom-up" synthesized by surface-assisted assembly of molecular building blocks under ultra-high-vacuum conditions. However, large-scale and efficient synthesis of such GNRs at low cost remains a significant challenge. Here we report an efficient "bottom-up" chemical vapor deposition (CVD) process for inexpensive and high-throughput growth of structurally defined GNRs with varying structures under ambient-pressure conditions. The high quality of our CVD-grown GNRs is validated by a combination of different spectroscopic and microscopic characterizations. Facile, large-area transfer of GNRs onto insulating substrates and subsequent device fabrication demonstrate their promising potential as semiconducting materials, exhibiting high current on/off ratios up to 6000 in field-effect transistor devices. This value is 3 orders of magnitude higher than values reported so far for other thin-film transistors of structurally defined GNRs. Notably, on-surface mass spectrometry analyses of polymer precursors provide unprecedented evidence for the chemical structures of the resulting GNRs, especially the heteroatom doping and heterojunctions. These results pave the way toward the scalable and controllable growth of GNRs for future applications.

  9. Design of sustainable chemical processes incorporating the principles of inherent safety

    OpenAIRE

    Amat Bernabéu, Adrián

    2017-01-01

    Nowadays, the incorporation of safety concepts in the design of chemical plants, together the economic criterion, is a priority within the area of process systems engineering. An inherently safer chemical process avoids or reduces the hazards, rather than managing by adding layers of protection with safety devices. In this work, a systematic methodology is proposed for obtaining the optimal operation conditions that simultaneously seek for the minimization of the inherently safer index and th...

  10. Synthesis and antibacterial characterization of sustainable nanosilver using naturally-derived macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Osonga, Francis J.; Kariuki, Victor M.; Yazgan, Idris; Jimenez, Apryl; Luther, David; Schulte, Jürgen; Sadik, Omowunmi A., E-mail: osadik@binghamton.edu

    2016-09-01

    Greener nanosynthesis utilizes fewer amounts of materials, water, and energy; while reducing or replacing the need for organic solvents. A novel approach is presented using naturally-derived flavonoids including Quercetin pentaphosphate (QPP), Quercetin sulfonic acid (QSA) and Apigenin Triphosphate (ATRP). These water soluble, phosphorylated flavonoids were utilized both as reducing agent and stabilizer. The synthesis was achieved at room temperature using water as a solvent and it requires no capping agents. The efficiency of the resulting silver nanoparticle synthesis was compared with naturally-occurring flavonoid such as Quercetin (QCR). Results show that QCR reduced Ag{sup +} faster followed by QPP, QSA and ATRP respectively. This is the first evidence of direct utilization of QCR for synthesis of silver nanoparticles (AgNPs) in water. The percentage conversion of Ag{sup +} to Ag{sup 0} was determined to be 96% after 35 min. The synthesized nanoparticles were characterized using Transmission electron microscopy (TEM), Energy dispersive absorption spectroscopy (EDS), UV–vis spectroscopy, High resolution TEM (HR-TEM) with selected area electron diffraction (SAED). The particle sizes ranged from 2 to 80 nm with an average size of 22 nm and in the case of ATRP, the nanoparticle shapes varied from spherical to hexagonal with dispersed particle size ranging from 2 to 30 nm. Crystallinity was confirmed by XRD and the SAED of (111), (200), and the fringes observed in HRTEM images. Results were in agreement with the UV resonance peaks of 369–440 nm. The particles also exhibit excellent antibacterial activity against Staphylococcus epidermidis, Escherichia coli and Citrobacter freundii in water. - Highlights: • Greener nanosilver prepared using flavonoid derivatives • Synthesized nanosilver exhibits exhibit antibacterial activity. • Approach suitable for industrial synthesis.

  11. Synthesis and properties of green sustainable carbonate-type nonionics containing polyoxyethylene chains.

    Science.gov (United States)

    Banno, Taisuke; Sato, Hiroshi; Tsuda, Takayuki; Matsumura, Shuichi

    2011-01-01

    A series of polyoxyethylene surfactants containing carbonate linkages as biodegradable and chemically recyclable segments was designed and synthesized by a green process. A two-step carbonate exchange reaction was used: dimethyl or diphenyl carbonate was reacted with 1-alkanol, and the product was reacted with poly (ethylene) glycol in the presence of a lipase or chemical catalyst. The obtained carbonate-type nonionics exhibited good surface-active properties such as a low critical micelle concentration value and a surface tension lowering action. They were readily biodegraded by activated sludge, furthermore, could be chemical recycled using a lipase.

  12. Upregulation of matrix synthesis in chondrocyte-seeded agarose following sustained bi-axial cyclic loading

    Directory of Open Access Journals (Sweden)

    Belinda Pingguan-Murphy

    2012-08-01

    Full Text Available OBJECTIVES: The promotion of extracellular matrix synthesis by chondrocytes is a requisite part of an effective cartilage tissue engineering strategy. The aim of this in vitro study was to determine the effect of bi-axial cyclic mechanical loading on cell proliferation and the synthesis of glycosaminoglycans by chondrocytes in threedimensional cultures. METHOD: A strain comprising 10% direct compression and 1% compressive shear was applied to bovine chondrocytes seeded in an agarose gel during two 12-hour conditioning periods separated by a 12-hour resting period. RESULTS: The bi-axial-loaded chondrocytes demonstrated a significant increase in glycosaminoglycan synthesis compared with samples exposed to uni-axial or no loading over the same period (p<0.05. The use of a free-swelling recovery period prior to the loading regime resulted in additional glycosaminoglycan production and a significant increase in DNA content (p<0.05, indicating cell proliferation. CONCLUSIONS: These results demonstrate that the use of a bi-axial loading regime results in increased matrix production compared with uni-axial loading.

  13. Surfactant-Assisted in situ Chemical Etching for the General Synthesis of ZnO Nanotubes Array.

    Science.gov (United States)

    Wang, Hongqiang; Li, Ming; Jia, Lichao; Li, Liang; Wang, Guozhong; Zhang, Yunxia; Li, Guanghai

    2010-04-24

    In this paper, a general low-cost and substrate-independent chemical etching strategy is demonstrated for the synthesis of ZnO nanotubes array. During the chemical etching, the nanotubes array inherits many features from the preformed nanorods array, such as the diameter, size distribution, and alignment. The preferential etching along c axis and the surfactant protection to the lateral surfaces are considered responsible for the formation of ZnO nanotubes. This surfactant-assisted chemical etching strategy is highly expected to advance the research in the ZnO nanotube-based technology.

  14. Surfactant-Assisted in situ Chemical Etching for the General Synthesis of ZnO Nanotubes Array

    Directory of Open Access Journals (Sweden)

    Wang Hongqiang

    2010-01-01

    Full Text Available Abstract In this paper, a general low-cost and substrate-independent chemical etching strategy is demonstrated for the synthesis of ZnO nanotubes array. During the chemical etching, the nanotubes array inherits many features from the preformed nanorods array, such as the diameter, size distribution, and alignment. The preferential etching along c axis and the surfactant protection to the lateral surfaces are considered responsible for the formation of ZnO nanotubes. This surfactant-assisted chemical etching strategy is highly expected to advance the research in the ZnO nanotube-based technology.

  15. Evaluating chemical-, mechanical-, and bio-pulping processes and their sustainability characterization using life cycle assessment

    Science.gov (United States)

    Tapas K. Das; Carl Houtman

    2004-01-01

    Pulp and paper manufacturing constitutes one of the largest industry segments in the United States in term of water and energy usage and total discharges to the environment. More than many other industries, however, this industry plays an important role in sustainable development because its chief raw material— wood fiber—is renewable. This industry provides an example...

  16. Chemical synthesis of highly stable PVA/PANI films for supercapacitor application

    Energy Technology Data Exchange (ETDEWEB)

    Patil, D.S.; Shaikh, J.S.; Dalavi, D.S.; Kalagi, S.S. [Thin Films Materials laboratory, Department of Physics, Shivaji University, Kolhapur 416004, M.S. (India); Patil, P.S., E-mail: psp_phy@unishivaji.ac.in [Thin Films Materials laboratory, Department of Physics, Shivaji University, Kolhapur 416004, M.S. (India)

    2011-08-15

    Highlights: {yields} Chemical synthesis of PVA/PANI films by spin and dip coating at room temperature. {yields} Thickness dependent supercapacitor behavior of PVA/PANI film. {yields} The synthesized film are highly stable up to 20,000 cycles. - Abstract: Polyvinyl alcohol (PVA)/polyaniline (PANI) thin films were chemically synthesized by adopting two step process: initially a thin layer (200 nm) of PVA was spin coated by using an aqueous PVA solution onto fluorine doped tin oxide (FTO) coated glass substrate, afterwards PANI was chemically polymerized from aniline monomer and dip coated onto the precoated substrate. The thickness of PANI layer was varied from 293 nm to 2367 nm by varying deposition cycles onto the precoated PVA thin film. The resultant PVA/PANI films were characterized for their optical, morphological and electrochemical properties. The FT-IR and Raman spectra revealed characteristic features of the PANI phase. The SEM study showed porous spongy structure. Electrochemical properties were studied by electrochemical impedance measurement and cyclic voltammetry. The electrochemical performance of PVA/PANI thin films was investigated in 1 M H{sub 2}SO{sub 4} aqueous electrolyte. The highest specific capacitance of 571 Fg{sup -1} was observed for the optimized thickness of 880 nm. The film was found to be stable for more than 20,000 cycles. The samples degraded slightly (25% decrement in specific capacitance) for the first 10,000 cycles. The degradation becomes much slower (10.8% decrement in specific capacitance) beyond 10,000 cycles. This dramatic improvement in the electrochemical stability of the PANI samples, without sacrificing specific capacitance was attributed to the optimized PVA layer.

  17. Upgrading oxygenated Fischer-Tropsch derivatives and one-step direct synthesis of ethyl acetate from ethanol - examples of the desirability of research on simple chemical compounds transformations.

    Science.gov (United States)

    Klimkiewicz, Roman

    2014-01-01

    Oxygenates formed as by-products of Fischer-Tropsch syntheses can be transformed into other Fischer-Tropsch derived oxygenates instead of treating them as unwanted chemicals. One-step direct synthesis of ethyl acetate from ethanol is feasible with the use of some heterogeneous catalysts. Despite their apparent simplicity, both transformations are discussed as targeted fields of research. Furthermore, the two concepts are justified due to the environmental protection. Arguments regarding the Fischer-Tropsch process are focused on the opportunities of the utilization of undesirable by-products. The effective striving for their utilization can make the oxygenates the targeted products of this process. Arguments regarding the one-step direct synthesis of ethyl acetate underline the environmental protection and sustainability as a less waste-generating method but, above all, highlight the possibility of reducing the glycerol overproduction problem. The production of ethyl acetate from bioethanol and then transesterification of fats and oils with the use of ethyl acetate allows managing all the renewable raw materials. Thus, the process enables the biosynthesis of biodiesel without glycerine by-product and potentially would result in the increase in the demand for ethyl acetate. Graphical Abstract.

  18. An efficiently sustainable dextran-based flocculant: Synthesis, characterization and flocculation.

    Science.gov (United States)

    Li, Ruo-Han; Zhang, Hong-Bin; Hu, Xue-Qin; Gan, Wei-Wei; Li, Qiu-Ping

    2016-09-01

    Polysaccharide-modified flocculant is a notable material in the field of wastewater treatment. Synthesis of biopolysaccharide derivatives as eco-friendly flocculants is remarkably desired for environmental protection. This work presents an efficient flocculant synthesized through copolymerization of acrylamide, sodium acrylate (AS), and dextran. Physicochemical properties of the flocculant were evaluated. Process parameters of coal-washing wastewater flocculation were tested using Response Surface Method. The application of graft polymers exhibited efficient flocculation performance at low level of flocculant dosage in alkalescent environment. The improved dextran contributes to handle industrial effluent and sanitary sewage. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Precision synthesis of functional materials via RAFT polymerization and click-type chemical reactions

    Science.gov (United States)

    Flores, Joel Diez

    2011-12-01

    The need to tailor polymeric architectures with specific physico-chemical properties via the simplest, cleanest, and most efficient synthetic route possible has become the ultimate goal in polymer synthesis. Recent progress in macromolecular science, such as the discoveries of controlled/"living" free radical polymerization (CRP) methods, has brought about synthetic capabilities to prepare (co)polymers with advanced topologies, predetermined molecular weights, narrow molecular weight distributions, and precisely located functional groups. In addition, the establishment of click chemistry has redefined the selected few highly efficient chemical reactions that become highly useful in post-polymerization modification strategies. Hence, the ability to make well-defined topologies afforded by controlled polymerization techniques and the facile incorporation of functionalities along the chain via click-type reactions have yielded complex architectures, allowing the investigation of physical phenomena which otherwise could not be studied with systems prepared via conventional methods. The overarching theme of the research work described in this dissertation is the fusion of the excellent attributes of reversible addition-fragmentation chain transfer (RAFT) polymerization method, which is one of the CRP techniques, and click-type chemical reactions in the precision of synthesis of advanced functional materials. Chapter IV is divided into three sections. In Section I, the direct RAFT homopolymerization of 2-(acryloyloxy)ethyl isocyanate (AOI) and subsequent post-polymerization modifications are described. The polymerization conditions were optimized in terms of the choice of RAFT chain transfer agent (CTA), polymerization temperature and the reaction medium. Direct RAFT polymerization of AOI requires a neutral CTA, and relatively low reaction temperature to yield AOI homopolymers with low polydispersities. Efficient side-chain functionalization of PAOI homopolymers was

  20. pH effect on the synthesis of magnetite nanoparticles by the chemical reduction-precipitation method

    Directory of Open Access Journals (Sweden)

    Ângela L. Andrade

    2010-01-01

    Full Text Available This work aimed at putting in evidence the influence of the pH on the chemical nature and properties of the synthesized magnetic nanocomposites. Saturation magnetization measurements evidenced a marked difference of the magnetic behavior of samples, depending on the final pH of the solution after reaction. Magnetite and maghemite in different proportions were the main magnetic iron oxides actually identified. Synthesis with final pH between 9.7-10.6 produced nearly pure magnetite with little or no other associated iron oxide. Under other synthetic conditions, goethite also appears in proportions that depended upon the pH of the synthesis medium.

  1. 2-nitroveratryl as a photocleavable thiol-protecting group for directed disulfide bond formation in the chemical synthesis of insulin.

    Science.gov (United States)

    Karas, John A; Scanlon, Denis B; Forbes, Briony E; Vetter, Irina; Lewis, Richard J; Gardiner, James; Separovic, Frances; Wade, John D; Hossain, Mohammed A

    2014-07-28

    Chemical synthesis of peptides can allow the option of sequential formation of multiple cysteines through exploitation of judiciously chosen regioselective thiol-protecting groups. We report the use of 2-nitroveratryl (oNv) as a new orthogonal group that can be cleaved by photolysis under ambient conditions. In combination with complementary S-pyridinesulfenyl activation, disulfide bonds are formed rapidly in situ. The preparation of Fmoc-Cys(oNv)-OH is described together with its use for the solid-phase synthesis of complex cystine-rich peptides, such as insulin. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Exploring mild enzymatic sustainable routes for the synthesis of bio-degradable aromatic-aliphatic oligoesters.

    Science.gov (United States)

    Pellis, Alessandro; Guarneri, Alice; Brandauer, Martin; Acero, Enrique Herrero; Peerlings, Henricus; Gardossi, Lucia; Guebitz, Georg M

    2016-05-01

    The application of Candida antarctica lipase B in enzyme-catalyzed synthesis of aromatic-aliphatic oligoesters is here reported. The aim of the present study is to systematically investigate the most favorable conditions for the enzyme catalyzed synthesis of aromatic-aliphatic oligomers using commercially available monomers. Reaction conditions and enzyme selectivity for polymerization of various commercially available monomers were considered using different inactivated/activated aromatic monomers combined with linear polyols ranging from C2 to C12 . The effect of various reaction solvents in enzymatic polymerization was assessed and toluene allowed to achieve the highest conversions for the reaction of dimethyl isophthalate with 1,4-butanediol and with 1,10-decanediol (88 and 87% monomer conversion respectively). Mw as high as 1512 Da was obtained from the reaction of dimethyl isophthalate with 1,10-decanediol. The obtained oligomers have potential applications as raw materials in personal and home care formulations, for the production of aliphatic-aromatic block co-polymers or can be further functionalized with various moieties for a subsequent photo- or radical polymerization. Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. An automated one-step one-pot [18F]FCWAY Synthesis: development and minimization of chemical impurities

    Science.gov (United States)

    Vuong, Bik-Kee; Kiesewetter, Dale O.; Lang, Lixin; Ma, Ying; Eckelman, William C.; Channing, Michael A.

    2007-01-01

    [18F]FCWAY (N-{2-[4-(2-methoxyphenyl)piperazino]}-N-(2-pyridinyl)trans-4-fluorocyclohexanecarboxamide) has been prepared routinely as a serotonin 5-HT1A receptor ligand for clinical human studies. We have developed an automated one-step radiosynthesis using a modified Nuclear Interface C-11 Methylation System. The chemical synthesis of an appropriate methanesulfonate precursor for the single-step nucleophilic substitution with [18F]fluoride ion and adaptation of the radiochemical synthesis to an automated production module were accomplished. Following purification of the substrate using counter current chromatography, the radiochemical yield increased from 18.9 ± 0.3% to 21.9 ± 2.2%. In addition, reduction of chemical impurities from about 40% to about 20% of total mass was observed. Further improvements in chemical purity were achieved by minimization of side reactions by modification of reaction conditions and optimization of the HPLC method for purification of the final radiopharmaceutical. The optimized automated synthesis produced [18F]FCWAY in a radiochemical yield of 28% ± 6%, of chemical purity 99.3% based of absorbance of FCWAY at 254nm and with a specific activity of 3433 ± 1015 mCi/μmol at the end of bombardment, EOB, all calculated from the same 50 runs. PMID:17499733

  4. An automated one-step one-pot [(18)F]FCWAY synthesis: development and minimization of chemical impurities.

    Science.gov (United States)

    Vuong, Bik-Kee; Kiesewetter, Dale O; Lang, Lixin; Ma, Ying; Eckelman, William C; Channing, Michael A

    2007-05-01

    [(18)F]FCWAY (N-{2-[4-(2-methoxyphenyl)piperazino]}-N-(2-pyridinyl)trans-4-fluorocyclohexanecarboxamide) has been prepared routinely as a serotonin 5-HT(1A) receptor ligand for clinical human studies. We have developed an automated one-step radiosynthesis using a modified Nuclear Interface C-11 Methylation System. The chemical synthesis of an appropriate methanesulfonate precursor for single-step nucleophilic substitution with [(18)F]fluoride ion and the adaptation of radiochemical synthesis to an automated production module were accomplished. Following purification of a substrate using countercurrent chromatography, radiochemical yield increased from 18.9+/-0.3% to 21.9+/-2.2%. In addition, reduction of chemical impurities from about 40% to about 20% of total mass was observed. Further improvements in chemical purity were achieved by minimization of side reactions by modification of reaction conditions and optimization of the high-performance liquid chromatography method for the purification of the final radiopharmaceutical. Optimized automated synthesis produced [(18)F]FCWAY in a radiochemical yield of 28+/-6% at a chemical purity of 99.3% based on the absorbance of FCWAY at 254 nm and with a specific activity of 3433+/-1015 mCi/micromol at the end of bombardment, all calculated from the same 50 runs.

  5. A Sustainable One-Pot, Two-Enzyme Synthesis of Naturally Occurring Arylalkyl Glucosides.

    Science.gov (United States)

    Bassanini, Ivan; Krejzová, Jana; Panzeri, Walter; Monti, Daniela; Křen, Vladimir; Riva, Sergio

    2017-05-09

    A sustainable, convenient, scalable, one-pot, two-enzyme method for the glucosylation of arylalkyl alcohols was developed. The reaction scheme is based on a transrutinosylation catalyzed by a rutinosidase from A. niger using the cheap commercially available natural flavonoid rutin as glycosyl donor, followed by selective "trimming" of the rutinoside unit catalyzed by a rhamnosidase from A. terreus. The process was validated with the syntheses of several natural bioactive glucosides, which could be isolated in up to 75 % yield without silica-gel chromatography. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. The Synthesis of Calcium Salt from Brine Water by Partial Evaporation and Chemical Precipitation

    Science.gov (United States)

    Lalasari, L. H.; Widowati, M. K.; Natasha, N. C.; Sulistiyono, E.; Prasetyo, A. B.

    2017-02-01

    chemical precipitation using (NH4)2CO3 reagent are recommended in the synthesis of calcium salts from brine water because are simple, flexible and economical.

  7. Recent advances towards development and commercialization of plant cell culture processes for the synthesis of biomolecules

    National Research Council Canada - National Science Library

    Wilson, Sarah A; Roberts, Susan C

    2012-01-01

    ...‐value secondary metabolites, allowing for sustainable production that was not limited by the low yields associated with natural harvest or the high cost associated with complex chemical synthesis...

  8. Synthesis of multilayered alginate microcapsules for the sustained release of fibroblast growth factor-1

    Science.gov (United States)

    Khanna, Omaditya; Moya, Monica L; Opara, Emmanuel C; Brey, Eric M

    2010-01-01

    Alginate microcapsules coated with a permselective poly-L-ornithine (PLO) membrane have been investigated for the encapsulation and transplantation of islets as a treatment for type 1 diabetes. The therapeutic potential of this approach could be improved through local stimulation of microvascular networks in order to meet mass transport demands of the encapsulated cells. Fibroblast growth factor-1 (FGF-1) is a potent angiogenic factor with optimal effect occurring when it is delivered in a sustained manner. In this paper, a technique is described for the generation of multilayered alginate microcapsules with an outer alginate layer that can be used for the delivery of FGF-1. The influence of alginate concentration and composition (high mannuronic acid (M) or guluronic acid (G) content) on outer layer size and stability, protein encapsulation efficiency, and release kinetics was investigated. The technique results in a stable outer layer of alginate with a mean thickness between 113–164 µm, increasing with alginate concentration and G-content. The outer layer was able to encapsulate and release FGF-1 for up to thirty days, with 1.25% of high G alginate displaying the most sustained release. The released FGF-1 retained its biologic activity in the presence of heparin, and the addition of the outer layer did not alter the permselectivity of the PLO coat. This technique could be used to generate encapsulation systems that deliver proteins to stimulate local neovascularization around encapsulated islets. PMID:20725969

  9. Emergy Synthesis and Regional Sustainability Assessment: Case Study of Pan-Pearl River Delta in China

    Directory of Open Access Journals (Sweden)

    Guomin Li

    2014-08-01

    Full Text Available In this paper, emergy analysis is used in association with the ternary diagrams and geographic information system (GIS tools to improve the evaluation of sustainability for the Pan-Pearl River Delta (PPRD region. Emergy accounting of PPRD is estimated, and various emergy-based indicators are reported. Ternary diagrams are drawn to provide a graphical representation of the emergy accounting data. Finally, the GIS tools are employed to assist in the emergy-based spatial analysis, and emergy density based on flat land area is mapped to reflect the intensity of emergy use in human activity areas. Results show the following: (1 the current development path of the PPRD region, with the value of emergy sustainability index (ESI = 0.227 significantly lower than one, is unsustainable in the long run; (2 Guangdong has the lowest ESI value (0.071, and the ESI values of Fujian, Guangxi, Hunan and Jiangxi are lower than 0.5, indicating that the economy in these provinces overly relies on non-renewable and imported resources; (3 Guizhou has a high emergy yield rate and is thus the main energy supplier in PPRD; and (4 among the nine provinces in PPRD, only Hainan has an ESI value (2.145 higher than one.

  10. Synthesis and properties of a clean and sustainable deicing additive for asphalt mixture.

    Directory of Open Access Journals (Sweden)

    Chao Peng

    Full Text Available A clean and sustainable deicing additive was prepared via the adsorption of acetate anions (Ac- by magnesium (Mg and aluminum (Al calcined layered double hydroxide (Mg/Al-CLDH. Fourier transform infrared spectroscopy spectrums proved that Ac- had intercalated into LDH structure. X-ray diffraction patterns, scanning electron microscopy and transmission electron microscopy images showed that the intercalation spacing and platelet thickness of Mg and Al layered double hydroxide containing Ac- anions (Mg/Al-Ac- LDH had been enlarged due to substitution of divalent CO32- anions by a larger quantity of monovalent Ac- anions. Differential scanning calorimetry tests testified that the insoluble Mg2/Al-Ac- LDH evidently decreased the freeze point (FP of water to -10.68°C. X-ray photoelectron spectroscopy analyses confirmed that the Ac- were strongly confined by the metal layers of LDHs. FP test of asphalt mixtures confirmed that Mg/Al-Ac- LDHs reduced FP to -5.5°C. Immersion test results indicated that Mg/Al-Ac- LDH had a good deicing durability and Ac- did not released from asphalt mixture. Snow melting observation was conducted further testified that Mg/Al-Ac- LDH melted snow or ice sustainably.

  11. Towards a Green Economy. Pathways to Sustainable Development and Poverty Eradication. A Synthesis for Policy Makers

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-07-01

    Nearly 20 years after the Earth Summit, nations are again on the Road to Rio, but in a world very different and very changed from that of 1992. Then we were just glimpsing some of the challenges emerging across the planet from climate change and the loss of species to desertification and land degradation. Today many of those seemingly far off concerns are becoming a reality with sobering implications for not only achieving the UN's Millennium Development Goals, but challenging the very opportunity for close to seven billion people - rising to nine billion by 2050 - to be able to thrive, let alone survive. Rio 1992 did not fail the world - far from it. It provided the vision and important pieces of the multilateral machinery to achieve a sustainable future. But this will only be possible if the environmental and social pillars of sustainable development are given equal footing with the economic one: where the often invisible engines of sustainability, from forests to freshwaters, are also given equal if not greater weight in development and economic planning. Towards a Green Economy is among UNEP's key contributions to the Rio+20 process and the overall goal of addressing poverty and delivering a sustainable 21st century. The report makes a compelling economic and social case for investing two per cent of global GDP in greening ten central sectors of the economy in order to shift development and unleash public and private capital flows onto a low-carbon, resource-efficient path. Such a transition can catalyse economic activity of at least a comparable size to business as usual, but with a reduced risk of the crises and shocks increasingly inherent in the existing model. New ideas are by their very nature disruptive, but far less disruptive than a world running low on drinking water and productive land, set against the backdrop of climate change, extreme weather events and rising natural resource scarcities. A green economy does not favour one political

  12. High-throughput NIR-chemometric methods for chemical and pharmaceutical characterization of sustained release tablets.

    Science.gov (United States)

    Porfire, Alina; Filip, Cristina; Tomuta, Ioan

    2017-05-10

    The aim of this study was the development and validation of methods based on near-infrared spectroscopy (NIRS) and chemometry, useful for characterization of sustained release (SR) tablets with indapamide, in terms of tablet composition (API and two excipients), in vitro drug release mechanism (k and n Peppas) and crushing strength. A calibration set consisting of 25 different tablets formulations containing API, HPMC and lactose at five different content levels in the range 100±20% relative to a targeted tablet composition, were manufactured by direct compression in order to develop the methods for prediction of tablet composition, and in vitro drug release mechanism. On the other hand, a 15 batches calibration set prepared at five different compression forces was used for development of methods for prediction of crushing strength. Moreover, independent batches were manufactured for validation of all methods Intact tablets were analyzed by transmission mode with NIRS, the spectra were pre-processed, and partial least square (PLS) regression was used to build prediction models. Cross-validation was carried out in order to select the optimal number of PLS factors for all models, and the best model was chosen based on their RMSECV and bias. All developed methods were validated in terms of trueness, precision and accuracy. Based on the validation results, the methods proposed in this work can successfully be applied for routine determination of indapamide, HPMC and lactose content of sustained release tablets, as well as for prediction of their in vitro drug release mechanism (k and n Peppas) and crushing strength. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Synthesis of mono and multidomain YIG particles by chemical coprecipitation or ceramic procedure

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Garcia, L. [Departamento de Materiales Nanoestructurados, Centro de Investigacion en Nanomateriales y Nanotecnologia (CINN), Principado de Asturias - Consejo superior de Investigaciones Cientificas (CSIC) - Universidad de Oviedo - UO, Parque Tecnologico de Asturias, 33428 Llanera, Asturias (Spain); Suarez, M., E-mail: m.suarez@cinn.e [Departamento de Materiales Nanoestructurados, Centro de Investigacion en Nanomateriales y Nanotecnologia (CINN), Principado de Asturias - Consejo superior de Investigaciones Cientificas (CSIC) - Universidad de Oviedo - UO, Parque Tecnologico de Asturias, 33428 Llanera, Asturias (Spain); Menendez, J.L. [Departamento de Materiales Nanoestructurados, Centro de Investigacion en Nanomateriales y Nanotecnologia (CINN), Principado de Asturias - Consejo superior de Investigaciones Cientificas (CSIC) - Universidad de Oviedo -UO, Parque Tecnologico de Asturias, 33428 Llanera, Asturias (Spain)

    2010-04-09

    Yttrium iron garnet powders have been synthesized by chemical coprecipitation using two different precursors, nitrates and chlorides, and by an oxides mixture route. It is shown that depending on the precursors and synthesis conditions used pure yttrium iron garnet powders can be obtained with a mono or multidomain magnetic behaviour. The yttrium iron garnet crystalline structure, as studied by Raman spectroscopy, was already formed after calcination at temperatures as low as 800 {sup o}C when the nitrate precursors were used. However, calcination temperatures of up to 1100 {sup o}C were required to obtain yttrium iron garnet powders when the precursors were chlorides or when the oxides mixture route was chosen. The saturation magnetization of the powders correlates well with the structural characterization: when nitrate precursors were used, the saturation magnetization was already close to the bulk value, 26.8 emu/cm{sup 3}, after calcination at 800 {sup o}C. However, the saturation magnetization of the powders obtained by the chlorides and oxides mixture routes was close to zero up to calcination temperatures of 1100 {sup o}C. Finally, both the chlorides and the oxides mixture routes yield multidomain micron sized yttrium iron garnet powders, whereas the nitrates route led to monodomain submicron sized powders.

  14. Efficient Synthesis of Peptide and Protein Functionalized Pyrrole-Imidazole Polyamides Using Native Chemical Ligation

    Directory of Open Access Journals (Sweden)

    Brian M. G. Janssen

    2015-06-01

    Full Text Available The advancement of DNA-based bionanotechnology requires efficient strategies to functionalize DNA nanostructures in a specific manner with other biomolecules, most importantly peptides and proteins. Common DNA-functionalization methods rely on laborious and covalent conjugation between DNA and proteins or peptides. Pyrrole-imidazole (Py–Im polyamides, based on natural minor groove DNA-binding small molecules, can bind to DNA in a sequence specific fashion. In this study, we explore the use of Py–Im polyamides for addressing proteins and peptides to DNA in a sequence specific and non-covalent manner. A generic synthetic approach based on native chemical ligation was established that allows efficient conjugation of both peptides and recombinant proteins to Py–Im polyamides. The effect of Py–Im polyamide conjugation on DNA binding was investigated by Surface Plasmon Resonance (SPR. Although the synthesis of different protein-Py–Im-polyamide conjugates was successful, attenuation of DNA affinity was observed, in particular for the protein-Py–Im-polyamide conjugates. The practical use of protein-Py–Im-polyamide conjugates for addressing DNA structures in an orthogonal but non-covalent manner, therefore, remains to be established.

  15. New solid forms of efavirenz: Synthesis, vibrational spectroscopy and quantum chemical calculations

    Science.gov (United States)

    Marques, Marcelo M.; Rezende, Carlos A.; Lima, Gabriel C.; Marques, Andressa C. S.; Prado, Lívia D.; Leal, Kátia Z.; Rocha, Helvécio V. A.; Ferreira, Gláucio B.; Resende, Jackson A. L. C.

    2017-06-01

    Efavirenz,(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one, is an anti HIV agent from the class of the non-nucleoside inhibitors of the HIV-1 virus reverse transcriptase. This paper describes the synthesis of two new solvatomorphs of efavirenz (EFV). The results through XRPD and DSC/TG indicate that the new forms undergo a solvent loss over the days, and then return to the original polymorph. Structural and spectral characteristics of EFV were studied by vibrational spectroscopy and quantum chemical methods. Density functional theory (DFT) calculations for the potential energy curve, optimized geometries and vibrational spectra were carried out using 6-311 + G** basis sets and CAM-B3LYP functional, solid state calculations were also performed using DFT-XGGA (PBE-D3) exchange-correlation functional with the option of mixtures of Gaussian and plane waves method (GPW). Based on these results, the paper discussed the correlation between the vibrational modes and the crystalline structure of the most stable form of EFV. A complete analysis of the experimental infrared and Raman spectra was reported on the basis of the wavenumbers of the vibrational bands and the potential energy distribution.

  16. Control of nanoparticle agglomeration through variation of the time-temperature profile in chemical vapor synthesis

    Science.gov (United States)

    Djenadic, Ruzica; Winterer, Markus

    2017-02-01

    The influence of the time-temperature history on the characteristics of nanoparticles such as size, degree of agglomeration, or crystallinity is investigated for chemical vapor synthesis (CVS). A simple reaction-coagulation-sintering model is used to describe the CVS process, and the results of the model are compared to experimental data. Nanocrystalline titania is used as model material. Titania nanoparticles are generated from titanium-tetraisopropoxide (TTIP) in a hot-wall reactor. Pure anatase particles and mixtures of anatase, rutile (up to 11 vol.%), and brookite (up to 29 vol.%) with primary particle sizes from 1.7 nm to 10.5 nm and agglomerate particle sizes from 24.3 nm to 55.6 nm are formed depending on the particle time-temperature history. An inductively heated furnace with variable inductor geometry is used as a novel system to control the time-temperature profile in the reactor externally covering a large wall temperature range from 873 K to 2023 K. An appropriate choice of inductor geometry, i.e. time-temperature profile, can significantly reduce the degree of agglomeration. Other particle characteristics such as crystallinity are also substantially influenced by the time-temperature profile.

  17. Control of nanoparticle agglomeration through variation of the time-temperature profile in chemical vapor synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Djenadic, Ruzica; Winterer, Markus, E-mail: markus.winterer@uni-due.de [Universität Duisburg-Essen, Nanoparticle Process Technology, Faculty of Engineering and CENIDE (Germany)

    2017-02-15

    The influence of the time-temperature history on the characteristics of nanoparticles such as size, degree of agglomeration, or crystallinity is investigated for chemical vapor synthesis (CVS). A simple reaction-coagulation-sintering model is used to describe the CVS process, and the results of the model are compared to experimental data. Nanocrystalline titania is used as model material. Titania nanoparticles are generated from titanium-tetraisopropoxide (TTIP) in a hot-wall reactor. Pure anatase particles and mixtures of anatase, rutile (up to 11 vol.%), and brookite (up to 29 vol.%) with primary particle sizes from 1.7 nm to 10.5 nm and agglomerate particle sizes from 24.3 nm to 55.6 nm are formed depending on the particle time-temperature history. An inductively heated furnace with variable inductor geometry is used as a novel system to control the time-temperature profile in the reactor externally covering a large wall temperature range from 873 K to 2023 K. An appropriate choice of inductor geometry, i.e. time-temperature profile, can significantly reduce the degree of agglomeration. Other particle characteristics such as crystallinity are also substantially influenced by the time-temperature profile.

  18. Layer-selective synthesis of bilayer graphene via chemical vapor deposition

    Science.gov (United States)

    Yang, Ning; Choi, Kyoungjun; Robertson, John; Park, Hyung Gyu

    2017-09-01

    A controlled synthesis of high-quality AB-stacked bilayer graphene by chemical vapor deposition demands a detailed understanding of the mechanism and kinetics. By decoupling the growth of the two layers via a growth-and-regrowth scheme, we report the kinetics and termination mechanisms of the bilayer graphene growth on copper. We observe, for the first time, that the secondary layer growth follows Gompertzian kinetics. Our observations affirm the postulate of a time-variant transition from a mass-transport-limited to a reaction-limited regimes and identify the mechanistic disparity between the monolayer growth and the secondary-layer expansion underneath the monolayer cover. It is the continuous carbon supply that drives the expansion of the graphene secondary layer, rather than the initially captured carbon amount, suggesting an essential role of the surface diffusion of reactant adsorbates in the interspace between the top graphene layer and the underneath copper surface. We anticipate that the layer selectivity of the growth relies on the entrance energetics of the adsorbed reactants to the graphene-copper interspace across the primary-layer edge, which could be engineered by tailoring the edge termination state. The temperature-reliant saturation area of the secondary-layer expansion is understood as a result of competitive attachment of carbon and hydrogen adatoms to the secondary-layer graphene edge.

  19. Synthesis of Graphene Films on Copper Foils by Chemical Vapor Deposition.

    Science.gov (United States)

    Li, Xuesong; Colombo, Luigi; Ruoff, Rodney S

    2016-08-01

    Over the past decade, graphene has advanced rapidly as one of the most promising materials changing human life. Development of production-worthy synthetic methodologies for the preparation of various types of graphene forms the basis for its investigation and applications. Graphene can be used in the forms of either microflake powders or large-area thin films. Graphene powders are prepared by the exfoliation of graphite or the reduction of graphene oxide, while graphene films are prepared predominantly by chemical vapor deposition (CVD) on a variety of substrates. Both metal and dielectric substrates have been explored; while dielectric substrates are preferred over any other substrate, much higher quality graphene large-area films have been grown on metal substrates such as Cu. The focus here is on the progress of graphene synthesis on Cu foils by CVD, including various CVD techniques, graphene growth mechanisms and kinetics, strategies for synthesizing large-area graphene single crystals, graphene transfer techniques, and, finally, challenges and prospects are discussed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. One-step synthesis of chlorinated graphene by plasma enhanced chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Liwei; Zhang, Hui; Zhang, Pingping; Sun, Xuhui, E-mail: xhsun@suda.edu.cn

    2015-08-30

    Highlights: • We developed a simple approach to synthesize the single layer chlorinated graphene. • CuCl{sub 2} on Cu surface is used as Cl source under the plasma treatment. • The formation of covalent C−Cl bond has been investigated by Raman and XPS. • Raman results indicate the p-type doping effect of chlorination. - Abstract: We developed an approach to synthesize the chlorinated single layer graphene (Cl-G) by one-step plasma enhanced chemical vapor deposition. Copper foil was simply treated with hydrochloric acid and then CuCl{sub 2} formed on the surface was used as Cl source under the assistance of plasma treatment. Compared with other two-step methods by post plasma/photochemical treatment of CVD-grown single layer graphene (SLG), one-step Cl-G synthesis approach is quite straightforward and effective. X-ray photoelectron spectroscopy (XPS) revealed that ∼2.45 atom% Cl remained in SLG. Compared with the pristine SLG, the obvious blue shifts of G band and 2D band along with the appearance of D’ band and D + G band in the Raman spectra indicate p-type doping of Cl-G.

  1. Direct chemical synthesis of MnO2 nanowhiskers on MXene surfaces for supercapacitor applications

    KAUST Repository

    Rakhi, Raghavan Baby

    2016-07-05

    Transition metal carbides (MXenes) are an emerging class of two dimensional (2D) materials with promising electrochemical energy storage performance. Herein, for the first time, by direct chemical synthesis, nanocrystalline ε-MnO2 whiskers were formed on MXene nanosheet surfaces (ε-MnO2/Ti2CTx and ε-MnO2/Ti3C2Tx) to make nanocomposite electrodes for aqueous pseudocapacitors. The ε-MnO2 nanowhiskers increase the surface area of the composite electrode and enhance the specific capacitance by nearly three orders of magnitude compared to pure MXene based symmetric supercapacitors. Combined with enhanced pseudocapacitance, the fabricated ε-MnO2/MXene supercapacitors exhibited excellent cycling stability with ~88% of the initial specific capacitance retained after 10000 cycles which is much higher than pure ε-MnO2 based supercapacitors (~74%). The proposed electrode structure capitalizes on the high specific capacitance of MnO2 and the ability of MXenes to improve conductivity and cycling stability.

  2. Physico-Chemical and In-vitro Microbial Studies of Newly Synthesis Organometallic Complexes

    Directory of Open Access Journals (Sweden)

    Isam Hussain Al-Karkhi

    2014-05-01

    Full Text Available Drugs normally synthesized to use as medication to treat diseases like cancer and microbial infections, these synthesized drugs were interested more than naturally-derived drugs which have been shows low activity or not as efficient against diseases. A new ligand 3-methylbenzyl (2Z-2-[1-(pyridin-4-ylethylidene]hydrazine carbodithioate (PE3MBC and its Cd(II, Cu(II, Co(II and Zn(II metal complexes. The new ligand and metal complexes were characterized via various physico-chemical and spectroscopic techniques. Cd(II complex show more activity against microbes and against cancer cell line MCF-7, while other complexes does not shows activity like cadmium complex, all the complexes does not shows any activity against MDAMB-231 cell line. The fatal of the cancer and the microbes cell was due to inhibition of DNA synthesis which was probably due to chelating with metals complexes, or could be referred to lipophilicity, presence of hydrophobic moiety in the complex molecule, also could be due to steric effects and electronic effects.

  3. Synthesis of diosgenin p-nitrobenzoate by Steglich method, its crystal structure and quantum chemical studies

    Science.gov (United States)

    Sethi, Arun; Bhatia, Akriti; Shukla, Dolly; Kumar, Abhinav; Sonker, Ravi; Prakash, Rohit; Bhatia, Gitika

    2012-11-01

    In the present study, a novel one pot synthetic route for the synthesis of diosgenin p-nitrobenzoate (2) is described from cheap, commercially available naturally occurring sapogenin-diosgenin. The molecular geometry, IR frequencies, Gauge-including atomic orbital (GIAO), 1H and 13C NMR chemical shifts of compound 2 has been calculated in the ground state by using the Hartree-Fock (HF) and density functional method (DFT/B3LYP) using 6-31G(d,p) basis set. The structure of diosgenin p-nitrobenzoate (2) has been confirmed by single crystal X-ray diffraction. The compound crystallizes in monoclinic form having space group P21 with cell parameters a = 7.719(2) Å, b = 8.425(2) Å and c = 22.578(6) Å, α = 90.00, β = 98.46 and γ = 90.00. The oxygen atoms O5 and O4 of the nitro and carbonyl ester, respectively display weak intermolecular N1sbnd O5⋯H7' and C1'dbnd O4⋯H4' interactions having dimensions of 2.61 and 2.59 Å, respectively to form intricate 1D network. The study of the electronic properties such as HOMO and LUMO energy were performed using time dependent DFT (TD-DFT) calculations. The calculated HOMO and LUMO energy values indicate that charge transfer takes place within the molecule. The compound was screened for cytotoxicity and anti-adipogenic activity.

  4. In Situ Chemical Synthesis of Lithium Fluoride/Metal Nanocomposite for High Capacity Prelithiation of Cathodes.

    Science.gov (United States)

    Sun, Yongming; Lee, Hyun-Wook; Zheng, Guangyuan; Seh, Zhi Wei; Sun, Jie; Li, Yanbin; Cui, Yi

    2016-02-10

    The initial lithium loss during the formation stage is a critical issue that significantly reduces the specific capacity and energy density of current rechargeable lithium-ion batteries (LIBs). An effective strategy to solve this problem is using electrode prelithiation additives that can work as a secondary lithium source and compensate the initial lithium loss. Herein we show that nanocomposites of lithium fluoride and metal (e.g., LiF/Co and LiF/Fe) can be efficient cathode prelithiation materials. The thorough mixing of ultrafine lithium fluoride and metal particles (∼5 nm) allows lithium to be easily extracted from the nanocomposites via an inverse conversion reaction. The LiF/Co nanocomposite exhibits an open circuit voltage (OCV, 1.5 V) with good compatibility with that of existing cathode materials and delivers a high first-cycle "donor" lithium-ion capacity (516 mA h g(-1)). When used as an additive to a LiFePO4 cathode, the LiF/Co nanocomposite provides high lithium compensation efficiency. Importantly, the as-formed LiF/metal nanocomposites possess high stability and good compatibility with the regular solvent, binder, and existing battery processing conditions, in contrast with the anode prelithiation materials that usually suffer from issues of high chemical reactivity and instability. The facile synthesis route, high stability in ambient and battery processing conditions, and high "donor" lithium-ion capacity make the LiF/metal nanocomposites ideal cathode prelithiation materials for LIBs.

  5. Synthesis and Self-Assembly of Gold Nanoparticles by Chemically Modified Polyol Methods under Experimental Control

    Directory of Open Access Journals (Sweden)

    Nguyen Viet Long

    2013-01-01

    Full Text Available In our present research, bottom-up self-assembly of gold (Au nanoparticles on a flat copper (Cu substrate is performed by a facile method. The very interesting evidence of self-assembly of Au nanoparticles on the top of the thin assembled layer was observed by scanning electron microscopy (SEM. We had discovered one of the most general and simple methods for the self-assembly of metal nanoparticles. The general physical and chemical mechanisms of the evaporation process of the solvents can be used for self-assembly of the as-prepared nanoparticles. The important roles of molecules of the used solvents are very critical to self-assembly of the as-prepared Au nanoparticles in the case without using any polymers for those processes. It is clear that self-assembly of such one nanosystem of the uniform Au nanoparticles is fully examined. Finally, an exciting surface plasmon resonance (SPR phenomenon of the pure Au nanoparticles in the solvent was fully discovered in their exciting changes of the narrow and large SPR bands according to synthesis time. The SPR was considered as the collective oscillation of valence electrons of the surfaces of the pure Au nanoparticles in the solvent by incident ultraviolet-visible light. Then, the frequency of light photons matches the frequency of the oscillation of surface electrons of the Au nanoparticles that are excited.

  6. Reaction parameter study for the chemical synthesis of adsorbent silica gel

    Directory of Open Access Journals (Sweden)

    María Carolina Sáenz

    2010-07-01

    Full Text Available This article presents an appropriate set of reaction parameters (reaction temperature, sulphuric acid and sodium silicate reagent concentration for obtaining adsorbent silica gel (ASG using Colombian-produced raw materials. The core of ASG synthesis lies in sulphuric acid’s neutralisation reaction with sodium silicate. Their effect on final ASG moisture adsorption capacity was measured after changing such synthesis’ above–mentioned reaction parameters. Within the range of conditions studied, it was found that the highest adsorption capacity occurred by combining both low sodium silicate concentration with high temperatures or high sulphuric acid concentration and temperature. Synthesised ASG was also compared to a commercial product (Gel de sílice granulare con indicatore. Montedison group. Batch number 1684G100. Code number 453301 using adsorption capacity plots, BET areas, X–ray di-ffraction, mass and infrared spectrometry and mechanical strength measurements. Synthesised ASG presented larger specific surface areas but weaker mechanical strength than the commercial one. Likewise, all evaluated samples exhibited a low degree of molecular arrangement and conventional ASG chemical structure.

  7. Synthesis of Copper Nanoparticles in Ethylene Glycol by Chemical Reduction with Vanadium (+2 Salts

    Directory of Open Access Journals (Sweden)

    Andrea Pietro Reverberi

    2016-09-01

    Full Text Available Copper nanoparticles have been synthesized in ethylene glycol (EG using copper sulphate as a precursor and vanadium sulfate as an atypical reductant being active at room temperature. We have described a technique for a relatively simple preparation of such a reagent, which has been electrolytically produced without using standard procedures requiring an inert atmosphere and a mercury cathode. Several stabilizing agents have been tested and cationic capping agents have been discarded owing to the formation of complex compounds with copper ions leading to insoluble phases contaminating the metallic nanoparticles. The elemental copper nanoparticles, stabilized with polyvinylpyrrolidone (PVP and sodium dodecyl sulphate (SDS, have been characterized for composition by energy dispersive X-ray spectroscopy (EDS, and for size by dynamic light scattering (DLS, and transmission electron microscopy (TEM, giving a size distribution in the range of 40–50 nm for both stabilizing agents. From a methodological point of view, the process described here may represent an alternative to other wet-chemical techniques for metal nanoparticle synthesis in non-aqueous media based on conventional organic or inorganic reductants.

  8. Organocatalysts for enantioselective synthesis of fine chemicals: definitions, trends and developments

    Directory of Open Access Journals (Sweden)

    Chiara Palumbo

    2015-02-01

    Full Text Available Organocatalysis, that is the use of small organic molecules to catalyze organic transformations, has been included among the most successful concepts in asymmetric catalysis, and it has been used for the enantioselective construction of C–C, C–N, C–O, C–S, C–P and C–halide bonds. Since the seminal works in early 2000, the scientific community has been paying an ever-growing attention to the use of organocatalysts for the synthesis, with high yields and remarkable stereoselectivities, of optically active fine chemicals of interest for the pharmaceutical industry. A brief overview is here presented about the two main classes of substrate activation by the catalyst: covalent organocatalysis and non-covalent organocatalysis, with a more stringent focus on some recent outcomes in the field of the latter and of hydrogen bond-based catalysis. Finally, some successful examples of heterogenization of organocatalysts are also discussed, in the view of a potential industrial exploitation.

  9. Synthesis of Hybrid Silica-Carbon Tubular Structures by Chemical Vapor Deposition with Methane or Ethene

    Directory of Open Access Journals (Sweden)

    Victor R. Sepulveda

    2017-12-01

    Full Text Available Silica microtube and carbon nanotube hybrid structures have been synthesized by catalytic chemical vapor deposition using either methane or ethene as the carbon source, and cobalt-grafted or impregnated silica tubes (200–800 nm as catalyst. The cobalt-grafted catalyst shows a high resistance to reduction (>1000 °C and selectivity to single-wall carbon nanotubes (SWCNT. While ethene deposition produces more carbonaceous material, methane experiments show higher selectivity for SWCNT. After removing the silica with an excess of HF, the carbon nanostructure endured, resulting in a coaxial carbon nanostructure. The novel hybrid nanostructures obtained consist of a submicron-sized tube, with walls that are formed by a succession of carbon/silica/carbon layers to which multiwall (20–25 nm and/or single-wall (0.6–2.0 nm carbon nanotubes are attached. This synthesis approach combines the mechanical properties of carbon nanotubes and the thermal properties of silica tubes into a synergetic nanostructured material, opening further possibilities for polymer reinforcement and potential applications in catalysis.

  10. Mechano-chemical synthesis and optical properties of ZnS nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, C.S., E-mail: chandrashekharpathak09@gmail.com [Department of Physics, Bharat Institute of Technology, Meerut, UP 250103 (India); Agarwala, V. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology, Roorkee 247667 (India); Mandal, M.K. [Department of Physics, National Institute of Technology, Durgapur 713209 (India)

    2012-09-01

    In the present work, we report the synthesis and optical properties of ZnS nanoparticles produced by the mechano-chemical route. We used zinc acetate and sodium sulphide as source materials in a high energy planetary ball mill at rotation speed of 300 rpm and vial rotation speed of 600 rpm with ball to powder (BPR or charge ratio CR) 5:1 for 30 and 90 min. The milled powders were washed with methanol to remove impurity and dried at 300 Degree-Sign C for 1 h. The prepared nanoparticles have been characterized using X-ray diffraction (XRD), Field emission scanning electron microscope (FESEM), UV-vis-NIR spectrophotometer and Fluorescence spectroscopy. The crystallite size of the synthesized ZnS nanoparticles is found to be in the range 7-8 nm which was calculated using Debye-Scherer's formula. The value of optical band gap has been found to be in the range 3.80-4.15 eV. Room temperature photoluminescence (PL) spectrum of ZnS samples exhibit a blue emission peaked at 466 nm under UV excitation.

  11. Nanostructured Thin Film Synthesis by Aerosol Chemical Vapor Deposition for Energy Storage Applications

    Science.gov (United States)

    Chadha, Tandeep S.

    Renewable energy sources offer a viable solution to the growing energy demand while mitigating concerns for greenhouse gas emissions and climate change. This has led to a tremendous momentum towards solar and wind-based energy harvesting technologies driving efficiencies higher and costs lower. However, the intermittent nature of these energy sources necessitates energy storage technologies, which remain the Achilles heel in meeting the renewable energy goals. This dissertation focusses on two approaches for addressing the needs of energy storage: first, targeting direct solar to fuel conversion via photoelectrochemical water-splitting and second, improving the performance of current rechargeable batteries by developing new electrode architectures and synthesis processes. The aerosol chemical vapor deposition (ACVD) process has emerged as a promising single-step approach for nanostructured thin film synthesis directly on substrates. The relationship between the morphology and the operating parameters in the process is complex. In this work, a simulation based approach has been developed to understand the relationship and acquire the ability of predicting the morphology. These controlled nanostructured morphologies of TiO2 , compounded with gold nanoparticles of various shapes, are used for solar water-splitting applications. Tuning of light absorption in the visible-light range along with reduced electron-hole recombination in the composite structures has been demonstrated. The ACVD process is further extended to a novel single-step synthesis of nanostructured TiO2 electrodes directly on the current collector for applications as anodes in lithium-ion batteries, mainly for electric vehicles and hybrid electric vehicles. The effect of morphology of the nanostructures has been investigated via experimental studies and electrochemical transport modelling. Results demonstrate the exceptional performance of the single crystal one-dimensional nanostructures over granular

  12. Revision and extension of Eco-LCA metrics for sustainability assessment of the energy and chemical processes.

    Science.gov (United States)

    Yang, Shiying; Yang, Siyu; Kraslawski, Andrzej; Qian, Yu

    2013-12-17

    Ecologically based life cycle assessment (Eco-LCA) is an appealing approach for the evaluation of resources utilization and environmental impacts of the process industries from an ecological scale. However, the aggregated metrics of Eco-LCA suffer from some drawbacks: the environmental impact metric has limited applicability; the resource utilization metric ignores indirect consumption; the renewability metric fails to address the quantitative distinction of resources availability; the productivity metric seems self-contradictory. In this paper, the existing Eco-LCA metrics are revised and extended for sustainability assessment of the energy and chemical processes. A new Eco-LCA metrics system is proposed, including four independent dimensions: environmental impact, resource utilization, resource availability, and economic effectiveness. An illustrative example of comparing assessment between a gas boiler and a solar boiler process provides insight into the features of the proposed approach.

  13. Single crystal XRD, vibrational and quantum chemical calculation of pharmaceutical drug paracetamol: A new synthesis form.

    Science.gov (United States)

    Anitha, R; Gunasekaran, M; Kumar, S Suresh; Athimoolam, S; Sridhar, B

    2015-01-01

    The common house hold pharmaceutical drug, paracetamol (PAR), has been synthesized from 4-chloroaniline as a first ever report. After the synthesis, good quality single crystals were obtained for slow evaporation technique under the room temperature. The crystal and molecular structures were re-determined by the single crystal X-ray diffraction. The vibrational spectral measurements were carried out using FT-IR and FT-Raman spectroscopy in the range of 4000-400 cm(-1). The single crystal X-ray studies shows that the drug crystallized in the monoclinic system polymorph (Form-I). The crystal packing is dominated by N-H⋯O and O-H⋯O classical hydrogen bonds. The ac diagonal of the unit cell features two chain C(7) and C(9) motifs running in the opposite directions. These two chain motifs are cross-linked to each other to form a ring R4(4)(22) motif and a chain C2(2)(6) motif which is running along the a-axis of the unit cell. Along with the classical hydrogen bonds, the methyl group forms a weak C-H⋯O interactions in the crystal packing. It offers the support for molecular assembly especially in the hydrophilic regions. Further, the strength of the hydrogen bonds are studied the shifting of vibrational bands. Geometrical optimizations of the drug molecule were done by the Density Functional Theory (DFT) using the B3LYP function and Hartree-Fock (HF) level with 6-311++G(d,p) basis set. The optimized molecular geometry and computed vibrational spectra are compared with experimental results which show significant agreement. The factor group analysis of the molecule was carried out by the various molecular symmetry, site and factor group species using the standard correlation method. The Natural Bond Orbital (NBO) analysis was carried out to interpret hyperconjugative interaction and intramolecular charge transfer (ICT). The chemical softness, chemical hardness, electro-negativity, chemical potential and electrophilicity index of the molecule were found out first

  14. Solid-phase synthesis and chemical space analysis of a 190-membered alkaloid/terpenoid-like library.

    Science.gov (United States)

    Moura-Letts, Gustavo; Diblasi, Christine M; Bauer, Renato A; Tan, Derek S

    2011-04-26

    Alkaloid and terpenoid natural products display an extensive array of chemical frameworks and biological activities. However such scaffolds remain underrepresented in current screening collections and are, thus, attractive targets for the synthesis of natural product-based libraries that access underexploited regions of chemical space. Recently, we reported a systematic approach to the stereoselective synthesis of multiple alkaloid/terpenoid-like scaffolds using transition metal-mediated cycloaddition and cyclization reactions of enyne and diyne substrates assembled on a tert-butylsulfinamide lynchpin. We report herein the synthesis of a 190-membered library of alkaloid/terpenoid-like molecules using this synthetic approach. Translation to solid-phase synthesis was facilitated by the use of a tert-butyldiarylsilyl (TBDAS) linker that closely mimics the tert-butyldiphenysilyl protecting group used in the original solution-phase route development work. Unexpected differences in stereoselectivity and regioselectivity were observed in some reactions when carried out on solid support. Further, the sulfinamide moiety could be hydrolyzed or oxidized efficiently without compromising the TBDAS linker to provide additional amine and sulfonamide functionalities. Principal component analysis of the structural and physicochemical properties of these molecules confirmed that they access regions of chemical space that overlap with bona fide natural products and are distinct from areas addressed by conventional synthetic drugs and drug-like molecules. The influences of scaffolds and substituents were also evaluated, with both found to have significant impacts on location in chemical space and three-dimensional shape. Broad biological evaluation of this library will provide valuable insights into the abilities of natural product-based libraries to access similarly underexploited regions of biological space.

  15. Process Parameters for Successful Synthesis of Carbon Nanotubes by Chemical Vapor Deposition: Implications for Chemical Mechanisms and Life-cycle Assessment

    Science.gov (United States)

    Xue, Ke

    Manufacturing of carbon nanotubes (CNTs) via chemical vapor deposition (CVD) calls for thermal treatment associated with gas-phase rearrangement and catalyst deposition to achieve high cost efficiency and limited influence on environmental impact. Taking advantage of higher degree of structure control and economical efficiency, catalytic chemical vapor deposition (CCVD) has currently become the most prevailing synthesis approach for the synthesis of large-scale pure CNTs in past years. Because the synthesis process of CNTs dominates the potential ecotoxic impacts, materials consumption, energy consumption and greenhouse gas emissions should be further limited to efficiently reduce life cycle ecotoxicity of carbon naotubes. However, efforts to reduce energy and material requirements in synthesis of CNTs by CCVD are hindered by a lack of mechanistic understanding. In this thesis, the effect of operating parameters, especially the temperature, carbon source concentration, and residence time on the synthesis were studied to improve the production efficiency in a different angle. Thus, implications on the choice of operating parameters could be provided to help the synthesis of carbon nanotubes. Here, we investigated the typical operating parameters in conditions that have yielded successful CNT production in the published academic literature of over seventy articles. The data were filtered by quality of the resultant product and deemed either "successful" or "unsuccessful" according to the authors. Furthermore, growth rate data were tabulated and used as performance metric for the process whenever possible. The data provided us an opportunity to prompt possible and common methods for practioners in the synthesis of CNTs and motivate routes to achieve energy and material minimization. The statistical analysis revealed that methane and ethylene often rely on thermal conversion process to form direct carbon precursor; further, methane and ethylene could not be the direct

  16. Sustainable synthesis and automated deposition: an accessible discovery screening library of fragment-like purines.

    Science.gov (United States)

    Kamper, Christoph; Korpis, Katharina; Specker, Edgar; Anger, Lennart; Neuenschwander, Martin; Bednarski, Patrick J; Link, Andreas

    2012-08-01

    A sub-library of 88 information-rich lead-like purine derivatives were prepared and deposited in an open access academic screening facility. The rationale for the synthesis of these rigid low complexity structures was the privileged character of the purine heterocycle associated with its inherent probability of interactions with multiple adenine-related targets. Although generally expected to be weak binders in many assays, such fragment-like compounds are estimated to match diverse binding sites. It is suggested that heterocycles with many anchor points for hydrogen bonds can be anticipated to undergo very specific interactions to produce more negative enthalpies and thus provide superior starting points for lead optimization than compounds that owe their activity to entropic effects. The in vitro cytotoxicity of the small compounds on a panel of human cancer cell lines has been investigated and some of them showed marked unselective or selective toxicity. This data may be useful if these fragments are to be incorporated into drug-like structures via metabolically cleavable connections. The sub-library will be implemented as part of the ChemBioNet ( www.chembionet.info ) library, and it is open to screening campaigns of academic research groups striving for a fragment-based approach in their biological assays.

  17. Zeolites as sustainable catalysts for the selective synthesis of renewable bisphenols from lignin-derived monomers.

    Science.gov (United States)

    Ferrini, Paola; Koelewijn, Steven-Friso; Van Aelst, Joost; Nuttens, Nicolas; Sels, Bert F

    2017-05-22

    Alternative biobased bisphenols from lignocellulosic biomass are not only favorable to reduce the environmental impact of current petroleum-derived plastics, but they can be simultaneously beneficial for health issues related to bisphenol A (BPA). Additionally, conventional BPA synthesis entails a large excess of unrecoverable homogeneous acid catalyst (e.g., HCl) or unrecyclable thermolabile sulfonated resins. In this report, zeolites are proposed as recoverable and thermally stable solid acids for the Brønsted-acid-catalyzed condensation between 4-methylguaiacol and formaldehyde to selectively produce renewable bisphenols. It is found that the Brønsted-acid-site density plays a pivotal role for catalyst performance. In particular, the cheap and environmentally friendly FAU 40 exhibits outstanding activity (turnover frequency of 496 h-1 ) and selectivity (>95 %), outperforming even the best benchmark catalyst. Additionally, the zeolite can be easily recycled without activity loss after regeneration by coke burn-off. The catalytic zeolite system also seems very promising for other lignin-derived alkylphenols, alkylguaiacols, and alkylsyringols. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Cyanobacteria: Photoautotrophic Microbial Factories for the Sustainable Synthesis of Industrial Products.

    Science.gov (United States)

    Lau, Nyok-Sean; Matsui, Minami; Abdullah, Amirul Al-Ashraf

    2015-01-01

    Cyanobacteria are widely distributed Gram-negative bacteria with a long evolutionary history and the only prokaryotes that perform plant-like oxygenic photosynthesis. Cyanobacteria possess several advantages as hosts for biotechnological applications, including simple growth requirements, ease of genetic manipulation, and attractive platforms for carbon neutral production process. The use of photosynthetic cyanobacteria to directly convert carbon dioxide to biofuels is an emerging area of interest. Equipped with the ability to degrade environmental pollutants and remove heavy metals, cyanobacteria are promising tools for bioremediation and wastewater treatment. Cyanobacteria are characterized by the ability to produce a spectrum of bioactive compounds with antibacterial, antifungal, antiviral, and antialgal properties that are of pharmaceutical and agricultural significance. Several strains of cyanobacteria are also sources of high-value chemicals, for example, pigments, vitamins, and enzymes. Recent advances in biotechnological approaches have facilitated researches directed towards maximizing the production of desired products in cyanobacteria and realizing the potential of these bacteria for various industrial applications. In this review, the potential of cyanobacteria as sources of energy, bioactive compounds, high-value chemicals, and tools for aquatic bioremediation and recent progress in engineering cyanobacteria for these bioindustrial applications are discussed.

  19. Cyanobacteria: Photoautotrophic Microbial Factories for the Sustainable Synthesis of Industrial Products

    Science.gov (United States)

    Lau, Nyok-Sean; Matsui, Minami; Abdullah, Amirul Al-Ashraf

    2015-01-01

    Cyanobacteria are widely distributed Gram-negative bacteria with a long evolutionary history and the only prokaryotes that perform plant-like oxygenic photosynthesis. Cyanobacteria possess several advantages as hosts for biotechnological applications, including simple growth requirements, ease of genetic manipulation, and attractive platforms for carbon neutral production process. The use of photosynthetic cyanobacteria to directly convert carbon dioxide to biofuels is an emerging area of interest. Equipped with the ability to degrade environmental pollutants and remove heavy metals, cyanobacteria are promising tools for bioremediation and wastewater treatment. Cyanobacteria are characterized by the ability to produce a spectrum of bioactive compounds with antibacterial, antifungal, antiviral, and antialgal properties that are of pharmaceutical and agricultural significance. Several strains of cyanobacteria are also sources of high-value chemicals, for example, pigments, vitamins, and enzymes. Recent advances in biotechnological approaches have facilitated researches directed towards maximizing the production of desired products in cyanobacteria and realizing the potential of these bacteria for various industrial applications. In this review, the potential of cyanobacteria as sources of energy, bioactive compounds, high-value chemicals, and tools for aquatic bioremediation and recent progress in engineering cyanobacteria for these bioindustrial applications are discussed. PMID:26199945

  20. Integrated Computer-aided Framework for Sustainable Chemical Product Design and Evaluation

    DEFF Research Database (Denmark)

    Kalakul, Sawitree; Cignitti, Stefano; Zhang, Lei

    2016-01-01

    This work proposes an integrated model-based framework for chemical product design and evaluation based on which the software, VPPD-Lab (The Virtual Product-Process Design Laboratory) has been developed. The framework allows the following options: (1) design a product using design templates......, such as, single molecule products, formulated products, blended products, emulsified products and devices; (2) analyze the product by performing virtual experiments (product property and performance calculations); (3) create and add new product property and product performance models; (4) create new...... product design templates when the desired template is not available. The product design templates follow the same common steps in the workflow for a product type but have options to employ product specific property models, data and calculation routines, if necessary. This paper highlights the application...

  1. Synthesis of TiO2 Materials Using Ionic Liquids and Its Applications for Sustainable Energy and Environment.

    Science.gov (United States)

    Yoo, Kye Sang

    2016-05-01

    Titanium dioxide (TiO2) has received significant attention because of the global climate change and the consumption of fossil fuel resources. Specifically, using TiO2 in photocatalytic applications, such as the removal of organic pollutants and a hydrogen production has become an important issue. Thus, many researchers have attempted to prepare highly active TiO2 materials using various synthetic approaches. Modifications of the conventional sol-gel method, such as the addition of surfactants, have been employed in synthetic procedures. Moreover, hydrothermal, solvothermal, sonochemical and microwave methods have also been used as alternative approaches. Recently, the use of ionic liquids represents a burgeoning direction in inorganic material synthesis. Ionic liquids are exceptional solvents consisting of ions possessing low vapor pressure and tunable solvent properties. This article reviews the preparation of TiO2 materials using ionic liquids with various synthetic approaches. Also, sustainable energy and environmental cleanup applications of TiO2 materials, including the treatment of hazardous organic substances and hydrogen energy derived from electrochemical methods, are discussed.

  2. Sustainable microalgae for the simultaneous synthesis of carbon quantum dots for cellular imaging and porous carbon for CO2capture.

    Science.gov (United States)

    Guo, Li-Ping; Zhang, Yan; Li, Wen-Cui

    2017-05-01

    Microalgae biomass is a sustainable source with the potential to produce a range of products. However, there is currently a lack of practical and functional processes to enable the high-efficiency utilization of the microalgae. We report here a hydrothermal process to maximize the utilizability of microalgae biomass. Specifically, our concept involves the simultaneous conversion of microalgae to (i) hydrophilic and stable carbon quantum dots and (ii) porous carbon. The synthesis is easily scalable and eco-friendly. The microalgae-derived carbon quantum dots possess a strong two-photon fluorescence property, have a low cytotoxicity and an efficient cellular uptake, and show potential for high contrast bioimaging. The microalgae-based porous carbons show excellent CO 2 capture capacities of 6.9 and 4.2mmolg -1 at 0 and 25°C respectively, primarily due to the high micropore volume (0.59cm 3 g -1 ) and large specific surface area (1396m 2 g -1 ). Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Plant nutrition between chemical and physiological limitations: is a sustainable approach possible?

    Directory of Open Access Journals (Sweden)

    Roberto Pinton

    2008-04-01

    Full Text Available The estimate of world population growth and the extent of malnutrition problems due to lack of food or to deficit of specific micronutrients bring to light the importance of plant nutrition in the context of a sustainable development. Beside these aspects, which force to use fertilizers, the topic of nutrient use efficiency of by plants is far from being solved: recent estimates of world cereals productions indicate that use efficiency of nitrogen fertilizers is not higher than 35%. These values are even smaller for phosphorus fertilizers (estimate of use efficiency between 10 and 30%, worsen by the fact that, with the present technology and on the basis of present knowledge, it is expected that the phosphorus reserves used for fertilizer production will be sufficient for less than 100 years. Efficiency problems have also been recently raised concerning the use of synthetic chelates to alleviate deficiency of micronutrients: these compounds have been shown to be extremely mobile along soil profile and to be only partially utilizable by plants. The low uptake efficiency of nutrients from soil is, in one hand, caused by several intrinsic characteristics of the biogeochemical cycle of nutrients, by the other, seems to be limited by biochemical and physiological aspects of nutrient absorption. Only recently, the complexity of these aspects has been apprehended and it has been realized that the programs of breeding had neglected these problematic. In this review aspects related to the acquisition of a macro- (N and a micro- (Fe nutrient, will be discussed. The aim is to show that improvements of mineral nutrient use efficiency can be achieved only through a scientific approach, considering the whole soil-plant system. Particularly emphasis will be put on aspect of molecular physiology relevant to the improvement of nutrient capture efficiency; furthermore, the role of naturally occurring organic molecules in optimizing the nutritional capacity of

  4. Plant nutrition between chemical and physiological limitations: is a sustainable approach possible?

    Directory of Open Access Journals (Sweden)

    Roberto Pinton

    2011-02-01

    Full Text Available The estimate of world population growth and the extent of malnutrition problems due to lack of food or to deficit of specific micronutrients bring to light the importance of plant nutrition in the context of a sustainable development. Beside these aspects, which force to use fertilizers, the topic of nutrient use efficiency of by plants is far from being solved: recent estimates of world cereals productions indicate that use efficiency of nitrogen fertilizers is not higher than 35%. These values are even smaller for phosphorus fertilizers (estimate of use efficiency between 10 and 30%, worsen by the fact that, with the present technology and on the basis of present knowledge, it is expected that the phosphorus reserves used for fertilizer production will be sufficient for less than 100 years. Efficiency problems have also been recently raised concerning the use of synthetic chelates to alleviate deficiency of micronutrients: these compounds have been shown to be extremely mobile along soil profile and to be only partially utilizable by plants. The low uptake efficiency of nutrients from soil is, in one hand, caused by several intrinsic characteristics of the biogeochemical cycle of nutrients, by the other, seems to be limited by biochemical and physiological aspects of nutrient absorption. Only recently, the complexity of these aspects has been apprehended and it has been realized that the programs of breeding had neglected these problematic. In this review aspects related to the acquisition of a macro- (N and a micro- (Fe nutrient, will be discussed. The aim is to show that improvements of mineral nutrient use efficiency can be achieved only through a scientific approach, considering the whole soil-plant system. Particularly emphasis will be put on aspect of molecular physiology relevant to the improvement of nutrient capture efficiency; furthermore, the role of naturally occurring organic molecules in optimizing the nutritional capacity of

  5. Monitoring and sustainable management of oil polluting wrecks and chemical munitions dump sites in the Baltic Sea

    Science.gov (United States)

    Hassellöv, Ida-Maja; Tengberg, Anders

    2017-04-01

    The Baltic Sea region contains a dark legacy of about 100 000 tons of dumped chemical warfare agents. As time passes the gun shells corrode and the risks of release of contaminants increase. A major goal of the EU-flagship project Daimon is to support governmental organisations with case-to-case adapted methods for sustainable management of dumped toxic munitions. At the Chalmers University of Technology, a partner of Daimon, a unique ISO 31000 adapted method was developed to provide decision support regarding potentially oilpolluting shipwrecks. The method is called VRAKA and is based on probability calculations. It includes site-specific information as well as expert knowledge. VRAKA is now being adapted to dumped chemical munitions. To estimate corrosion potential of gun shells and ship wrecks along with sediment re-suspension and transport multiparameter instruments are deployed at dump sites. Parameters measured include Currents, Salinity, Temperature, Oxygen, Depth, Waves and Suspended particles. These measurements have revealed how trawling at dump sites seems to have large implications in spreading toxic substances (Arsenic) over larger areas. This presentation will shortly describe the decision support model, the used instrumentation and discuss some of the obtain results.

  6. Research Data Supporting "Synthesis, Application and Carbonation Behaviour of Ca2Fe2O5 for Chemical Looping H2 Production"

    OpenAIRE

    Ismail, Mohammad; Liu, Wen; Chan, Martin S.C.; Dunstan, Matthew T.; Scott, Stuart A

    2016-01-01

    Chemical looping hydrogen production uses the oxidation and reduction of metal oxides, typically iron, to produce hydrogen. This work focuses on the modification of iron oxide with calcium oxide to form an oxygen carrier containing di-calcium ferrite (Ca2Fe2O5), which presents favourable thermodynamics for achieving higher conversions of steam to hydrogen compared to chemically unmodified iron oxide. Different methods of synthesis, viz. mechanochemical synthesis and co-precipitation, were use...

  7. Synthesis of chemical vapor deposition graphene on tantalum wire for supercapacitor applications

    Energy Technology Data Exchange (ETDEWEB)

    Li, Mingji, E-mail: limingji@163.com [Tianjin Key Laboratory of Film Electronic and Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384 (China); Guo, Wenlong [Tianjin Key Laboratory of Film Electronic and Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384 (China); Li, Hongji, E-mail: hongjili@yeah.net [Tianjin Key Laboratory of Organic Solar Cells and Photochemical Conversion, School of Chemistry and Chemical Engineering, Tianjin University of Technology, Tianjin 300384 (China); Xu, Sheng [School of Precision Instrument and Optoelectronics Engineering, Tianjin University, Tianjin 300072 (China); Qu, Changqing; Yang, Baohe [Tianjin Key Laboratory of Film Electronic and Communicate Devices, School of Electronics Information Engineering, Tianjin University of Technology, Tianjin 300384 (China)

    2014-10-30

    Highlights: • The capacitance of graphene/tantalum (Ta) wire electrodes is firstly reported. • Graphene was grown on the Ta surface by hot-filament chemical vapor deposition. • Graphene/Ta wire structure is favorable for fast ion and electron transfer. • The graphene/Ta wire electrode shows high capacitive properties. - Abstract: This paper studies the synthesis and electrochemical characterization of graphene/tantalum (Ta) wires as high-performance electrode material for supercapacitors. Graphene on Ta wires is prepared by the thermal decomposition of methane under various conditions. The graphene nanosheets on the Ta wire surface have an average thickness of 1.3–3.4 nm and consist typically of a few graphene monolayers, and TaC buffer layers form between the graphene and Ta wire. A capacitor structure is fabricated using graphene/Ta wire with a length of 10 mm and a diameter of 0.6 mm as the anode and Pt wire of the same size as the cathode. The electrochemical behavior of the graphene/Ta wires as supercapacitor electrodes is characterized by cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectroscopy in 1 M Na{sub 2}SO{sub 4} aqueous electrolyte. The as-prepared graphene/Ta electrode has highest capacitance of 345.5 F g{sup −1} at current density of 0.5 A g{sup −1}. The capacitance remains at about 84% after 1000 cycles at 10 A g{sup −1}. The good electrochemical performance of the graphene/Ta wire electrode is attributed to the unique nanostructural configuration, high electrical conductivity, and large specific surface area of the graphene layer. This suggests that graphene/Ta wire electrode materials have potential applications in high-performance energy storage devices.

  8. 'Sustainable chemical production' - A review of the 7{sup th} Symposium of Fribourg 2005; 'Nachhaltige chemische Produktion' - Das 7. Freiburger Symposium 2005 im Rueckspiegel

    Energy Technology Data Exchange (ETDEWEB)

    Kaeser, K. (ed.)

    2005-07-01

    The Division 'Industrial Chemistry' of the Swiss Chemical Society organizes periodically a two-day event for the post-graduate education of its members. This event is known as the Freiburger Symposium. This year it focussed on sustainable chemical production. The twelve talks covered the following aspects: ethical needs for sustainability standards, the required, attained, and yet to be attained sustainability goals in chemical industry. Diverse case studies showed the highly developed awareness about the sustainability issue within the chemical community. (author)

  9. Exploring green catalysts for production of biofuels and value added chemicals for renewable and sustainable energy future

    Science.gov (United States)

    Budhi, Sridhar

    Porous silica have attracted significant attention in the past few decades due to their unique textural properties. They were extensively investigated for applications in catalysis, separation, environmental remediation and drug delivery. We have investigated the porous metal incorporated silica in the synthetic as well as catalytic perspectives. The synthesis of metal incorporated mesoporous silica via co-condensation such as SBA-15, KIT-5 are still challenging as it involves acidic synthetic route. Synthesis in high acidity conditions affects the incorporation of metal in silica due to high dissolution of metal precursors and breaking of metal oxygen and silica bond. The research presented here demonstrates an efficient way to incorporate metals by addition of diammonium hydrogen phosphate along with metal precursor during the synthesis. The incorporation efficiency has increased 2-3 times with this approach. Catalytic studies were performed to support our hypothesis. Such synthesized molybdenum incorporated mesoporous silica were investigated as catalyst for fast pyrolysis. When molydenum incorporated in silica was used as catalyst for fast pyrolysis of pine, it selectively produced furans (furan, methylfuran and dimethylfuran). Furans are considered value-added chemicals and can be used as a blendstock for diesel/jet grade fuel. The catalyst was very stable to harsh pyrolysis conditions and had a longer life before deactivation when compared with traditional zeolites. Further, this catalyst did not produce aromatic hydrocarbons in significant yields unlike zeolites. The origin of the furans was determined to be biopolymer cellulose and the selectivity for furans are attributed to low catalyst acidity. The effect of silica to alumina ratio (SAR) of beta-zeolite was investigated ranging to elucidate the relationship between the of number of acid sites on product speciation and catalyst deactivation on catalysts supplied by Johnson Matthey. The catalyst with low

  10. Ni nanoparticles prepared by simple chemical method for the synthesis of Ni/NiO-multi-layered graphene by chemical vapor deposition

    Science.gov (United States)

    Ali, Mokhtar; Remalli, Nagarjuna; Gedela, Venkataramana; Padya, Balaji; Jain, Pawan Kumar; Al-Fatesh, Ahmed; Rana, Usman Ali; Srikanth, Vadali V. S. S.

    2017-02-01

    A new chemical method was used to obtain a high yield of nickel nanoparticles (Ni-NPs). The effect of solvent (distilled water, ethylene glycol, and ethanol) and surfactant (oleic acid and polyvinyl pyrrolidinone) on the morphology and crystallinity of the synthesized Ni-NPs has been investigated. The experimental results revealed that among the solvents mentioned above, ethanol gives the best results in terms of complete reduction, controlled morphology and size distribution of Ni-NPs. The surfactants played an important role in impeding the agglomeration and surface oxidation of Ni-NPs. The surfactants also affected the morphology of the Ni-NPs. The synthesized Ni-NPs are found to be quite stable in air. The best of the synthesized Ni-NPs were effectively used as catalysts for the synthesis of Ni/NiO-multi-layered graphene using catalytic chemical vapor deposition technique.

  11. A One-Pot Chemically Cleavable Bis-Linker Tether Strategy for the Synthesis of Heterodimeric Peptides.

    Science.gov (United States)

    Patil, Nitin A; Tailhades, Julien; Karas, John A; Separovic, Frances; Wade, John D; Hossain, Mohammed Akhter

    2016-11-14

    Heterodimeric peptides linked by disulfide bonds are attractive drug targets. However, their chemical assembly can be tedious, time-consuming, and low yielding. Inspired by the cellular synthesis of pro-insulin in which the two constituent peptide chains are expressed as a single-chain precursor separated by a connecting C-peptide, we have developed a novel chemically cleavable bis-linker tether which allows the convenient assembly of two peptide chains as a single "pro"-peptide on the same solid support. Following the peptide cleavage and post-synthetic modifications, this bis-linker tether can be removed in one-step by chemical means. This method was used to synthesize a drug delivery-cargo conjugate, TAT-PKCi peptide, and a two-disulfide bridged heterodimeric peptide, thionin (7-19)-(24-32R), a thionin analogue. To our knowledge, this is the first report of a one-pot chemically cleavable bis-linker strategy for the facile synthesis of cross-bridged two-chain peptides. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Direct chemical vapour deposited grapheme synthesis on silicon oxide by controlled copper dewettting

    NARCIS (Netherlands)

    van den Beld, Wesley Theodorus Eduardus; van den Berg, Albert; Eijkel, Jan C.T.

    2015-01-01

    In this paper we present a novel method for direct uniform graphene synthesis onto silicon oxide in a controlled manner. On a grooved silicon oxide wafer is copper deposited under a slight angle and subsequently the substrate is treated by a typical graphene synthesis process. During this process

  13. A versatile chemical conversion synthesis of Cu2S nanotubes and the photovoltaic activities for dye-sensitized solar cell

    Science.gov (United States)

    2014-01-01

    A versatile, low-temperature, and low-cost chemical conversion synthesis has been developed to prepare copper sulfide (Cu2S) nanotubes. The successful chemical conversion from ZnS nanotubes to Cu2S ones profits by the large difference in solubility between ZnS and Cu2S. The morphology, structure, and composition of the yielded products have been examined by field-emission scanning electron microscopy, transmission electron microscopy, and X-ray diffraction measurements. We have further successfully employed the obtained Cu2S nanotubes as counter electrodes in dye-sensitized solar cells. The light-to-electricity conversion results show that the Cu2S nanostructures exhibit high photovoltaic conversion efficiency due to the increased surface area and the good electrocatalytical activity of Cu2S. The present chemical route provides a simple way to synthesize Cu2S nanotubes with a high surface area for nanodevice applications. PMID:25246878

  14. Synthesis, characterization and biocompatibility of silver nanoparticles synthesized from Nigella sativa leaf extract in comparison with chemical silver nanoparticles.

    Science.gov (United States)

    Amooaghaie, Rayhaneh; Saeri, Mohammad Reza; Azizi, Morteza

    2015-10-01

    Despite the development potential in the field of nanotechnology, there is a concern about possible effects of nanoparticles on the environment and human health. In this study, silver nanoparticles (AgNPs) were synthesized by 'green' and 'chemical' methods. In the wet-chemistry method, sodium borohydrate, sodium citrate and silver nitrate were used as raw materials. Leaf extract of Nigella sativa was used as reducing as well as capping agent to reduce silver nitrate in the green synthesis method. In addition, toxic responses of both synthesized AgNPs were monitored on bone-building stem cells of mice as well as seed germination and seedling growth of six different plants (Lolium, wheat, bean and common vetch, lettuce and canola). In both synthesis methods, the colorless reaction mixtures turned brown and UV-visible spectra confirmed the presence of silver nanoparticles. Scanning electron microscope (SEM) observations revealed the predominance of silver nanosized crystallites and fourier transform infra-red spectroscopy (FTIR) indicated the role of different functional groups in the synthetic process. MTT assay showed cell viability of bone-building stem cells of mice was further in the green AgNPs synthesized using black cumin extract than chemical AgNPs. IC50 (inhibitory concentrations) values for seed germination, root and shoot length for 6 plants in green AgNPs exposures were higher than the chemical AgNPs. These results suggest that cytotoxicity and phytotoxicity of the green synthesized AgNPs were significantly less than wet-chemistry synthesized ones. This study indicated an economical, simple and efficient ecofriendly technique using leaves of N. sativa for synthesis of AgNPs and confirmed that green AgNPs are safer than chemically-synthesized AgNPs. Copyright © 2015 Elsevier Inc. All rights reserved.

  15. Science and norms in policies for sustainable development: assessing and managing risks of chemical substances and genetically modified organisms in the European Union.

    Science.gov (United States)

    Karlsson, Mikael

    2006-02-01

    Use of chemical substances and genetically modified organisms cause complex problems characterised by scientific uncertainty and controversies. Aiming at sustainable development, policies for assessment, and management of risks in the two areas are under development in the European Union. The article points out that both science and norms play a central role in risk assessment as well as risk management and suggests that the precautionary principle, the principle of public participation, and the polluter pays principle, all adopted in the European Union, offer a way to operationalise the concept of sustainable development. It is shown, however, that a number of steps ought to be taken to better implement the principles through different policy measures. In doing so, and by recognising the role of both science and norms, the decision-making on risks related to the use of chemicals or genetically modified organisms can be improved to better promote sustainable development.

  16. On the Chemical Synthesis and Physical Properties of Iron Pyrite, Especially the (100) Surface

    Science.gov (United States)

    Macpherson, Hector Alexander

    Given that iron pyrite (cubic FeS2, fool's gold) is a semiconductor with a ˜1 eV band gap, it has long been investigated for use in technological applications, especially photovoltaics. Unfortunately, numerous measurements indicate that it's properties, as currently synthesized at least, do not allow for effective devices. Photovoltages far below theoretical expectation are found as well as below band gap optical absorption. From a scientific standpoint, our understanding of the cause of these observations, the form of the density of states for instance, remains mired in uncertainty. In this work we have attempted to gain insight into this problem by creating ensembles of pyrite nanocrystals that can then be treated and measured with well-developed wet-chemical nanocrystal techniques. Specifically, we interpret the existing literature to advocate that the surface states of this material dominate its observed electrical properties. In an effort to better understand the most prevalent surface, the (100) face, we developed a synthesis that nucleates small (measured and the phenomenon of resonance light scattering (RLS) is observed. This phenomenon, along with the poor colloidal dispersibility of these nanocubes is then used to promote the idea that an unusual dynamic electronic phenomenon exists on these surfaces. This phenomenon is found to be passivated by introducing charged ligands to the surfaces of these particles. Additionally, after this surface treatment, two very sharp absorption features are observed at 0.73 and 0.88 eV. In connection with recent theoretical work, these transitions are taken as evidence that the (100) surface of pyrite is spin-polarized with each absorption peak being the signal of band edge absorption across a spin-selected direct band gap. A theoretical framework is proposed as a plausible explanation of the observed behavior. To wit, highly localized and energetically disordered Fe d-orbital states fill in the band gap of the (100

  17. Bringing the science of proteins into the realm of organic chemistry: total chemical synthesis of SEP (synthetic erythropoiesis protein).

    Science.gov (United States)

    Kent, Stephen B H

    2013-11-11

    Erythropoietin, commonly known as EPO, is a glycoprotein hormone that stimulates the production of red blood cells. Recombinant EPO has been described as "arguably the most successful drug spawned by the revolution in recombinant DNA technology". Recently, the EPO glycoprotein molecule has re-emerged as a major target of synthetic organic chemistry. In this article I will give an account of an important body of earlier work on the chemical synthesis of a designed EPO analogue that had full biological activity and improved pharmacokinetic properties. The design and synthesis of this "synthetic erythropoiesis protein" was ahead of its time, but has gained new relevance in recent months. Here I will document the story of one of the major accomplishments of synthetic chemistry in a more complete way than is possible in the primary literature, and put the work in its contemporaneous context. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. ZnO Quasi-1D Nanostructures: Synthesis, Modeling, and Properties for Applications in Conductometric Chemical Sensors

    Directory of Open Access Journals (Sweden)

    Vardan Galstyan

    2016-03-01

    Full Text Available One-dimensional metal oxide nanostructures such as nanowires, nanorods, nanotubes, and nanobelts gained great attention for applications in sensing devices. ZnO is one of the most studied oxides for sensing applications due to its unique physical and chemical properties. In this paper, we provide a review of the recent research activities focused on the synthesis and sensing properties of pure, doped, and functionalized ZnO quasi-one dimensional nanostructures. We describe the development prospects in the preparation methods and modifications of the surface structure of ZnO, and discuss its sensing mechanism. Next, we analyze the sensing properties of ZnO quasi-one dimensional nanostructures, and summarize perspectives concerning future research on their synthesis and applications in conductometric sensing devices.

  19. Facile Fabrication of Boron-Doped Titania Nanopowders by Atmospheric Pressure Chemical Vapor Synthesis Route and its Photocatalytic Activity

    Directory of Open Access Journals (Sweden)

    K. Saberyan

    2014-04-01

    Full Text Available The Atmospheric Pressure Chemical Vapor Synthesis (APCVS route is a process that can be used for the synthesis of doped-nanocrystalline powders with very small crystallite sizes having a narrow particle size distribution and high purity. In this study, APCVS technique was used to prepare boron-doped titania nanopowders. The effects of temperature, borate flow rate and water flow rate on the amount of doped boron were studied. The resultant powders were characterized by inductively coupled plasma (ICP, X-ray diffraction (XRD, nitrogen adsorption technique (BET, UV-visible DRS spectroscopy, scanning electron microscopy (SEM, and transmission electron microscopy (TEM. The optimum boron precursor flow rate was 80 sccm. The highest amount of doped boron was attained when water flow rate was 900 sccm. In comparison to the pristine TiO2, the boron-doped TiO2 nanoparticles showed blue-shift in band-gap energy of the samples.

  20. Design, Synthesis, and Characterization of Nanostructured Materials for Energy Storage Devices and Flexible Chemical Sensors

    Science.gov (United States)

    Kang, Ning

    Nanomaterials have shown increasing applications in the design and fabrication of functional devices such as energy storage devices and sensor devices. A key challenge is the ability to harness the nanostructures in terms of size, shape, composition and structure so that the unique nanoscale functional properties can be exploited. This dissertation describes our findings in design, synthesis, and characterization of nanoparticles towards applications in two important fronts. The first involves the investigation of nanoalloy catalysts and functional nanoparticles for energy storage devices, including Li-air and Li-ion batteries, aiming at increasing the capacity and cycle performance. Part of this effort focuses on design of bifunctional nanocatalysts through alloying noble metal with non-noble transition metal to improve the ORR and OER activity of Li-air batteries. By manipulating the composition and alloying structure of the catalysts, synergetic effect has been demonstrated, which is substantiated by both experimental results and theoretical calculation for the charge/discharge process. The other part of the effort focuses on modification of Si nanoparticles towards high-capacity anode materials. The modification involved dopant elements, carbon coating, and graphene composite formation to manipulate the ability of the nanoparticles in accommodating the volume expansion. The second part focuses on the design, preparation and characterization of metal nanoparticles and nanocomposite materials for the application in flexible sensing devices. The investigation focuses on fabrication of a novel class of nanoparticle-nanofibrous membranes consisting of gold nanoparticles embedded in a multi-layered fibrous membrane as a tunable interfacial scaffold for flexible sweat sensors. Sensing responses to different ionic species in aqueous solutions and relative humidity changes in the environment were demonstrated, showing promising potential as flexible sensing devices for

  1. One-pot synthesis of spiroglycol | Ming Xu | Bulletin of the Chemical ...

    African Journals Online (AJOL)

    , isobutyraldehyde and formaldehyde as starting materials. Under the optimum reacting conditions, the yield and purity of product were 93.6 % and 99.0 %, respectively. Compared to the synthesis methods reported in literatures, not only was ...

  2. A fast chemical route for the synthesis of TBHQ functionalized reduced graphene oxide and its electrochemical performances

    Energy Technology Data Exchange (ETDEWEB)

    Rana, Subhasis; Sen, Pintu, E-mail: psen@vecc.gov.in; Bandyopadhyay, S.K.

    2016-02-01

    A fast chemical route for the synthesis of tertiary butyl hydroquinone (TBHQ) functionalized reduced graphene oxide (FRGO) and their application as high performance electrode materials for supercapacitors have been reported. Reductions of chemically exfoliated graphene oxides (GO) in the presence of small amount of TBHQ (1–2 wt % with respect to GO) at various time periods were investigated through XRD, FTIR and Raman studies. Reappearance of broad diffraction peak close to graphite peak (002) reveals an efficient method of reduction of different oxygen containing functional groups present in GO/FGO resulting in a decrease of interlayer d-spacing (∼3.5 Å). Absence of the absorption peaks in FTIR for –C=O, t-O–H, epoxide and alkoxy groups supports the complete reduction of GO to FRGO by hydrazine hydrate within a short time period of 4 h reduction under reflux condition. A large red shift in UV spectrum of FRGO – 4 h (270 nm) reveals the complete reduction of graphene oxide. The average crystallite sp{sup 2} domains sizes have been estimated through Raman spectroscopy. Plausible mechanism of TBHQ assisted fast chemical reduction of FGO has been enumerated. 1.5 wt % TBHQ in FRGO shows the best electrochemical performance where TBHQ not only acts as a reducing agent during functionalization, but also plays as an active redox molecule for enhanced capacitance of 200 F/g. - Highlights: • A fast chemical route has been adopted for the synthesis of TBHQ functionalized RGO. • The kinetics of chemical reduction becomes faster in the presence of TBHQ. • The FTIR spectrum of functionalized RGO supports the complete reduction process. • TBHQ also plays a vital role for enhancing capacitance of functionalized RGO.

  3. Synthesis and evaluation of 2-ethynyl-adenosine-5'-triphosphate as a chemical reporter for protein AMPylation.

    Science.gov (United States)

    Creech, Christa; Kanaujia, Mukul; Causey, Corey P

    2015-08-21

    Protein AMPylation is a posttranslational modification (PTM) defined as the transfer of an adenosine monophosphate (AMP) from adenosine triphosphate (ATP) to a hydroxyl side-chain of a protein substrate. One recently reported AMPylator enzyme, Vibrio outer protein S (VopS), plays a role in pathogenesis by AMPylation of Rho GTPases, which disrupts crucial signaling pathways, leading to eventual cell death. Given the resurgent interest in this modification, there is a critical need for chemical tools that better facilitate the study of AMPylation and the enzymes responsible for this modification. Herein we report the synthesis of 2-ethynyl-adenosine-5'-triphosphate () and its utilization as a non-radioactive chemical reporter for protein AMPylation.

  4. Glucuronidated Flavonoids in Neurological Protection: Structural Analysis and Approaches for Chemical and Biological Synthesis.

    Science.gov (United States)

    Docampo, Maite; Olubu, Adiji; Wang, Xiaoqiang; Pasinetti, Giulio; Dixon, Richard A

    2017-09-06

    Both plant and mammalian cells express glucuronosyltransferases that catalyze glucuronidation of polyphenols such as flavonoids and other small molecules. Oral administration of select polyphenolic compounds leads to the accumulation of the corresponding glucuronidated metabolites at μM and sub-μM concentrations in the brain, associated with amelioration of a range of neurological symptoms. Determining the mechanisms whereby botanical extracts impact cognitive wellbeing and psychological resiliency will require investigation of the modes of action of the brain-targeted metabolites. Unfortunately, many of these compounds are not commercially available. This article describes the latest approaches for the analysis and synthesis of glucuronidated flavonoids. Synthetic schemes include both standard organic synthesis, semisynthesis, enzymatic synthesis and use of synthetic biology utilizing heterologous enzymes in microbial platform organisms.

  5. Chemical Extraction of Carbon Dioxide From Air: A Strategy to Avoid Climate Change and Sustain Fossil Energy?

    Science.gov (United States)

    Dubey, M. K.; Ziock, H.; Rueff, G.; Colman, J.; Smith, W. S.

    2002-12-01

    analyzed by X ray diffraction and thermal gravimetric analysis. We identify the atmospheric sub-laminar boundary layer and the stagnant liquid surface as potential barriers to CO2 uptake. Strategies to overcome these limits are developed. We discuss other renewable, energy efficient, and effective CO2 scrubbers with lower binding energies. High-resolution simulations are also being performed to characterize the effects of atmospheric mixing, size and geometry of extractors on the collection efficiency. Capture of CO2 from air is a promising long term strategy to sustain fossil energy use by avoiding climate change but much research and development is needed to implement it. [1] Elliott S. et al.,Compensation of atmospheric CO2 buildup through engineered chemical sinkage, Geophys. Res. Lett., 28(7), 1235-1238, 2001. [2] Dubey, M. K. et al., Extraction of carbon dioxide from the atmosphere through engineered chemical sinkage, 2002 American Chemical Society, Division of Fuel Chemistry Preprints, 47(1), 81-84, 2002. [3] Johnston, et al. Chemical Transport Modeling of Potential Atmospheric Carbon Dioxide Sinks, in press Energy Conversion & Management, 2002.

  6. Effects of feed gas composition and catalyst thickness on carbon nanotube and nanofiber synthesis by plasma enhanced chemical vapor deposition.

    Science.gov (United States)

    Garg, R K; Kim, S S; Hash, D B; Gore, J P; Fisher, T S

    2008-06-01

    Many engineering applications require carbon nanotubes with specific characteristics such as wall structure, chirality and alignment. However, precise control of nanotube properties grown to application specifications remains a significant challenge. Plasma-enhanced chemical vapor deposition (PECVD) offers a variety of advantages in the synthesis of carbon nanotubes in that several important synthesis parameters can be controlled independently. This paper reports an experimental study of the effects of reacting gas composition (percentage methane in hydrogen) and catalyst film thickness on carbon nanotube (CNT) growth and a computational study of gas-phase composition for the inlet conditions of experimentally observed carbon nanotube growth using different chemical reaction mechanisms. The simulations seek to explain the observed effects of reacting gas composition and to identify the precursors for CNT formation. The experimental results indicate that gas-phase composition significantly affects the synthesized material, which is shown to be randomly aligned nanotube and nanofiber mats for relatively methane-rich inlet gas mixtures and non-tubular carbon for methane-lean incoming mixtures. The simulation results suggest that inlet methane-hydrogen mixture coverts to an acetylene-methane-hydrogen mixture with minor amounts of ethylene, hydrogen atom, and methyl radical. Acetylene appears to be the indicator species for solid carbon formation. The simulations also show that inlet methane-hydrogen mixture does not produce enough gas-phase precursors needed to form quality CNTs below 5% CH4 concentrations in the inlet stream.

  7. Role of kinetic factors in chemical vapor deposition synthesis of uniform large area graphene using copper catalyst.

    Science.gov (United States)

    Bhaviripudi, Sreekar; Jia, Xiaoting; Dresselhaus, Mildred S; Kong, Jing

    2010-10-13

    In this article, the role of kinetics, in particular, the pressure of the reaction chamber in the chemical vapor deposition (CVD) synthesis of graphene using low carbon solid solubility catalysts (Cu), on both the large area thickness uniformity and the defect density are presented. Although the thermodynamics of the synthesis system remains the same, based on whether the process is performed at atmospheric pressure (AP), low pressure (LP) (0.1-1 Torr) or under ultrahigh vacuum (UHV) conditions, the kinetics of the growth phenomenon are different, leading to a variation in the uniformity of the resulting graphene growth over large areas (wafer scale). The kinetic models for APCVD and LPCVD are discussed, thereby providing insight for understanding the differences between APCVD vs LPCVD/UHVCVD graphene syntheses. Interestingly, graphene syntheses using a Cu catalyst in APCVD processes at higher methane concentrations revealed that the growth is not self-limiting, which is in contrast to previous observations for the LPCVD case. Additionally, nanoribbons and nanostrips with widths ranging from 20 to 100 nm were also observed on the APCVD grown graphene. Interactions between graphene nanofeatures (edges, folds) and the contaminant metal nanoparticles from the Cu etchant were observed, suggesting that these samples could potentially be employed to investigate the chemical reactivity of single molecules, DNA, and nanoparticles with monolayer graphene.

  8. A facile chemical conversion synthesis of Sb2S3 nanotubes and the visible light-driven photocatalytic activities

    Science.gov (United States)

    2012-01-01

    We report a simple chemical conversion and cation exchange technique to realize the synthesis of Sb2S3 nanotubes at a low temperature of 90°C. The successful chemical conversion from ZnS nanotubes to Sb2S3 ones benefits from the large difference in solubility between ZnS and Sb2S3. The as-grown Sb2S3 nanotubes have been transformed from a weak crystallization to a polycrystalline structure via successive annealing. In addition to the detailed structural, morphological, and optical investigation of the yielded Sb2S3 nanotubes before and after annealing, we have shown high photocatalytic activities of Sb2S3 nanotubes for methyl orange degradation under visible light irradiation. This approach offers an effective control of the composition and structure of Sb2S3 nanomaterials, facilitates the production at a relatively low reaction temperature without the need of organics, templates, or crystal seeds, and can be extended to the synthesis of hollow structures with various compositions and shapes for unique properties. PMID:22448960

  9. Microwave-assisted synthesis of bio-active heterocycles in aqueous media

    KAUST Repository

    Polshettiwar, Vivek

    2010-01-01

    Synthesis of bio-active heterocycles and fine chemicals in aqueous media are one of the best solutions for the development of green and sustainable protocols. To illustrate the advantages of aqueous MW chemistry in heterocycle synthesis, in this chapter, various synthetic pathways developed in recent years in aqueous reaction media using microwave irradiation are described.

  10. Synthesis of 5-(hydroxymethyl)furfural in Ionic Liquids - Paving the Way to Renewable Chemicals

    DEFF Research Database (Denmark)

    Ståhlberg, Tim; Fu, Wenjing; Woodley, John

    2011-01-01

    The synthesis of 5-(hydroxymethyl)furfural (HMF) in ionic liquids is a field that has grown rapidly in recent years. Unique dissolving properties for crude biomass in combination with a high selectivity for HMF formation from hexose sugars make ionic liquids attractive reaction media for the prod...

  11. Agro-waste as source of fine and industrial chemicals: synthesis of 2 ...

    African Journals Online (AJOL)

    This paper reports on the synthesis of 2-formyl-6-hydroxybenzoic acid (8) and 4 methoxyisobenzofuran-1,3-dione (10) from a renewable natural material Cashew Nut Shell Liquid (CNSL) achieved in five and seven steps, respectively. Anacardic acid was isolated from CNSL, dimethoxylated into (E)-methyl ...

  12. Chemically Modified Starch; Allyl- and Epoxy-Starch Derivatives: Their Synthesis and Characterization

    NARCIS (Netherlands)

    Franssen, M.C.R.; Boeriu, C.

    2014-01-01

    Both native and modified starches, such as starch that is pregelatinized, extruded, acid-converted, cross-linked, and substituted, are widely used in industry. This chapter describes a mild two-step process for the synthesis of novel, highly reactive granular epoxy-starch derivatives. Via this

  13. 1,5-Anhydro-D-Fructose – Efficient Synthesis and Chemical Uses

    DEFF Research Database (Denmark)

    Lundt, Inge; Dekany, Gyula; Stütz, Arnold E.

    1,5-Anhydro-D-fructose (AF) is a valuable chiral building block for organic synthesis.[1] However, the antioxidant and antimicrobial properties of AF are equally important.[1] Due to these interesting properties AF is heavily patented for the use in pharmaceuticals, foods and cosmetics. However...

  14. Total Synthesis of Lagunamide A via Remote Vinylogous Mukaiyama Aldol Reactions, Chemical Studies Toward the Total Synthesis of Micromide and Preliminary Studies Toward the Total Synthesis of Azaspirene

    OpenAIRE

    Banasik, Brent

    2016-01-01

    Lagunamide A represents a class of novel cyclic depsipeptide obtained from the marine cyanobacterium Lyngbya majuscula. With an array of biological activity and impressive IC50 values including anti-malarial properties (IC50 0.19-0.91 μM), significant cytotoxic properties against P388 murine leukemia cell lines (IC50 6.4-20.5 nM) and ileocecal colon cancer (1.6 nM), lagunamide A shows promise as an extremely powerful therapeutic agent. Unexpectedly, in a recent total synthesis of lagunamide ...

  15. Assessment Of Physico-Chemical Property Of Water Samples From Port Harcourt Bonny And Opobo Coastal Areas For Sustainable Coastal Tourism Development In Rivers State Nigeria.

    OpenAIRE

    Obinwanne; Cletus Okechukwu

    2015-01-01

    Abstract The study evaluated some physico-chemical properties of water samples from Port Harcourt Bonny and Opobo to determine the safety of water from the areas for sustainable coastal tourism development in Rivers State Nigeria. Three water samples were collected with three sterilized plastic containers with a capacity of 25cl which were subjected to laboratory tests to know their constituents. The parameters tested were appearance temperature colour turbidity conductivity PH alkalinity lea...

  16. Industrial Scale Synthesis of Carbon Nanotubes Via Fluidized Bed Chemical Vapor Deposition: A Senior Design Project

    Science.gov (United States)

    Smith, York R.; Fuchs, Alan; Meyyappan, M.

    2010-01-01

    Senior year chemical engineering students designed a process to produce 10 000 tonnes per annum of single wall carbon nanotubes (SWNT) and also conducted bench-top experiments to synthesize SWNTs via fluidized bed chemical vapor deposition techniques. This was an excellent pedagogical experience because it related to the type of real world design…

  17. The contribution of microbially produced nanoparticles to sustainable development goals.

    Science.gov (United States)

    Cueva, Miguel E; Horsfall, Louise E

    2017-09-01

    Nanoparticles (NPs), particles having one or more dimensions below 100 nm, are currently being synthesized through chemical and physical methods on an industrial scale. However, these methods for the synthesis of NPs do not fit with sustainable development goals. NP synthesis, through chemical and physical methods, requires high temperatures and/or pressures resulting in high energy consumption and the generation of large amounts of waste. In recent years, research into the synthesis of NPs has shifted to more green and biological methods, often using microorganisms. A biological approach has many advantages over chemical and physical methods. Reactions are catalysed in aqueous solutions at standard temperature and pressure (cost effective and low energy syntheses). This method does not require solvents or harmful chemicals, making NP biosynthesis a greener and more eco-friendly method. Furthermore, NP synthesis by microbes does not require the use of pure starting materials; thus it can simultaneously be used for the bioremediation of contaminated water, land and waste, and the biosynthesis of NPs. Therefore the biosynthesis of NPs contributes to the sustainable development goals, while the alternative physical and chemical methods exclusively utilize scarce and expensive resources for NP synthesis. © 2017 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.

  18. A systematic synthesis and design methodology to achieve process intensification in (bio) chemical processes

    DEFF Research Database (Denmark)

    Lutze, Philip; Román-Martinez, Alicia; Woodley, John

    2010-01-01

    Process intensification (PI) has the potential to improve existing processes or create new process options which are needed in order to produce products using more sustainable methods. PI creates an enormous number of process options. In order to manage the complexity of options in which a feasib...

  19. On the chemical synthesis route to bulk-scale skutterudite materials

    DEFF Research Database (Denmark)

    Tafti, Mohsen Y.; Saleemi, Mohsin; Han, Li

    2016-01-01

    In this article an alternative high yield route for the synthesis of CoSb3-based unfilled skutterudites is presented. Using low-melting temperature salts of the constituents, melting and mixing them homogeneously in a hydrophobic liquid with postprocessing of the powders we achieve a more...... intimately mixed alloy compared to the conventional melting and metallurgical processes. The proposed method consists of a fast and low-temperature processing step followed by a thermochemical post-processing step, compared to the conventional methods of fabricating skutterudites, which require high...... temperatures and long processing times. Several structural characterization techniques were used to assess the mechanism of synthesis, verify the purity of the material as well as the reproducibility of the process. Detailed analysis and results are presented in support of the proposed process. Additionally...

  20. On-bead chemical synthesis and display of phosphopeptides for affinity pull-down proteomics

    DEFF Research Database (Denmark)

    Malene, Brandt; Madsen, Jens C.; Bunkenborg, Jakob

    2006-01-01

    (aldehyde) at the C terminus for potential activity-based proteomics. The synthetic support-bound Bad phosphopeptides were able to pull down 14-3-3zeta. Furthermore, Bad phosphopeptides bound endogenous 14-3-3 proteins, and all seven members of the 14-3-3 family were identified by mass spectrometry......We describe a new method for phosphopeptide proteomics based on the solid-phase synthesis of phosphopeptides on beads suitable for affinity pull-down experiments. Peptide sequences containing the Bad Ser112 and Ser136 phosphorylation motifs were used as bait in affinity pull-down experiments....... In control experiments, none of the unphosphorylated Bad peptides bound transfected 14-3-3zeta or endogenous 14-3-3. We conclude that the combined synthesis and display of phosphopeptides on-bead is a fast and efficient method for affinity pull-down proteomics....

  1. Large-scale synthesis of copper sulfide by using elemental sources via simple chemical route.

    Science.gov (United States)

    Mulla, Rafiq; Rabinal, M K

    2017-11-01

    Copper sulfide is a low-cost and non-toxic material which is very attractive and promising for various applications. There is a need of a large-scale production of this material by simple methods. Here, a simple and ambient method is proposed for a large-scale preparation of copper sulfide. The synthesis is carried out at room temperature by using ultrasonication method where the elemental precursors, copper and sulfur are directly used. The present method gives gram scale synthesis with high yield in a short period of time. The materials are characterized by different techniques, their electrical conductivity and Seebeck coefficient are also measured and analyzed. The present method is one of the simple ways of producing copper sulfide just at room temperature. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Chemical Synthesis and Characterization of Carbon Supported Palladium Electro-Catalysts

    Science.gov (United States)

    Acosta, J. J.; Favilla, P. C.; Collet-Lacoste, J. R.

    The aim of this work is to present the results obtained for the synthesis of Pd NPs by the modified-polyol method with Vulcan XC-72R as support. Two different ways were used to synthesize catalysts: (a) Maintaining the initial pH of the synthesis equal to 12 and changing the initial concentration of the precursor to obtain an overall 10 wt.% nominal Pd load; (b) Fixing the initial concentration of the precursor at 2mM whilst changing the initial pH of the synthesis at different values to obtain an overall 10wt.% nominal Pd load. Catalysts were characterized using X-ray diffraction (XRD), Transmission electron microscopy (HRTEM, TEM, STEM) and cyclic voltammetry (CV). This work shows that the density of NPs generated during the nucleation process is a consequence of the fluctuation of the concentration. The standard deviation of the diameters varied linearly with the mean volume for values between 0.5mM and 6mM, demonstrating that there was a clear separation between nucleation and growth processes. The final mean diameter strongly depends on the initial pH of the synthesis for the same initial concentration of the precursor; mean diameters are smaller for basic media. The analysis of the voltammograms allowed the determination of the coverage fraction of oxygen on Pd, obtaining a value of 0.51 with a structure type c(2×2). The coverage value found for CO is 0.71 with a structure type p(2×2)-3CO.

  3. Molecular Self-Assembly and Nanochemistry: A Chemical Strategy for the Synthesis of Nanostructures

    Science.gov (United States)

    1991-12-01

    at least for the time) in syntheses of the very complex molecules vitamin B12 (JA) and palytoxin (mw - 2680) (11). Sequential covalent synthesis can be...monolayers on water; lipid bilayers, hydrophobic Ocores’ of proteins inclusion complexes with cyclodextrins (AA) Aromatic 7r-stacking and charge Nucleic...association of 6- cyclodextrin (16.1) (a toroid molecule that is a cyclic heptamer of glucose) with aromatic rings; the tetraphenyl borate anions seem also to

  4. Synthesis, Postmodification, Metalation, and Gas Adsorption in Chemically Stable Metal Organic Frameworks and Zeolitic Imidazolate Frameworks.

    OpenAIRE

    Morris, William

    2012-01-01

    Metal Organic Frameworks (MOFs) and Zeolitic Imidazolate Frameworks (ZIFs) are porous crystalline materials comprised of organic units (links) and metal oxide units (secondary building units) with surface areas often exceeding 1000 m2/g. These materials are finding increased applications in gas storage, gas separation, and catalysis. In this thesis new MOFs and ZIFs are synthesized to further these applications. Special attention is paid to the synthesis of frameworks, which can be postsynthe...

  5. Chemical synthesis and translesion replication of a cis–syn cyclobutane thymine–uracil dimer

    OpenAIRE

    Takasawa, Kohei; Masutani, Chikahide; Hanaoka, Fumio; Iwai, Shigenori

    2004-01-01

    The cytosine base in DNA undergoes hydrolytic deamination at a considerable rate when UV radiation induces formation of a cyclobutane pyrimidine dimer (CPD) with an adjacent pyrimidine base. We have synthesized a phosphoramidite building block of a cis–syn cyclobutane thymine–uracil dimer (T[]U), which is the deaminated form of the CPD at a TC site, and incorporated it into oligodeoxyribonucleotides. The previously reported method for synthesis of the thymine dimer (T[]T) was applied, using p...

  6. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  7. The assembly and use of continuous flow systems for chemical synthesis.

    Science.gov (United States)

    Britton, Joshua; Jamison, Timothy F

    2017-11-01

    The adoption of and opportunities in continuous flow synthesis ('flow chemistry') have increased significantly over the past several years. Continuous flow systems provide improved reaction safety and accelerated reaction kinetics, and have synthesised several active pharmaceutical ingredients in automated reconfigurable systems. Although continuous flow platforms are commercially available, systems constructed 'in-lab' provide researchers with a flexible, versatile, and cost-effective alternative. Herein, we describe the assembly and use of a modular continuous flow apparatus from readily available and affordable parts in as little as 30 min. Once assembled, the synthesis of a sulfonamide by reacting 4-chlorobenzenesulfonyl chloride with dibenzylamine in a single reactor coil with an in-line quench is presented. This example reaction offers the opportunity to learn several important skills including reactor construction, charging of a back-pressure regulator, assembly of stainless-steel syringes, assembly of a continuous flow system with multiple junctions, and yield determination. From our extensive experience of single-step and multistep continuous flow synthesis, we also describe solutions to commonly encountered technical problems such as precipitation of solids ('clogging') and reactor failure. Following this protocol, a nonspecialist can assemble a continuous flow system from reactor coils, syringes, pumps, in-line liquid-liquid separators, drying columns, back-pressure regulators, static mixers, and packed-bed reactors.

  8. Heavy Grignard Reagents: Synthesis, Physical and Structural Properties, Chemical Behavior, and Reactivity.

    Science.gov (United States)

    Westerhausen, Matthias; Koch, Alexander; Görls, Helmar; Krieck, Sven

    2017-01-31

    The Grignard reaction offers a straight forward atom-economic synthesis of organomagnesium halides, which undergo redistribution reactions (Schlenk equilibrium) yielding diorganylmagnesium and magnesium dihalides. The homologous organocalcium complexes (heavy Grignard reagents) gained interest only quite recently owing to several reasons. The discrepancy between the inertness of this heavy alkaline earth metal and the enormous reactivity of its organometallics hampered a vast and timely development after the first investigation more than 100 years ago. In this overview the synthesis of organocalcium reagents is described as is the durability in ethereal solvents. Aryl-, alkenyl-, and alkylcalcium halides are prepared by direct synthesis. Characteristic structural features and NMR parameters are discussed. Ligand redistribution reactions can be performed by addition of potassium tert-butanolate to ethereal solutions of arylcalcium iodides yielding soluble diarylcalcium, whereas sparingly soluble potassium iodide and calcium bis(tert-butanolate) precipitate. Furthermore, reactivity studies with respect to metalation and addition to unsaturated organic compounds and metal-based Lewis acids, leading to the formation of heterobimetallic complexes, are presented. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. The effect of chemical additives on the synthesis of ethanol. Technical progress report 5, September 16, 1988--December 15, 1988

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.

    1989-02-04

    The objective of this research is to elucidate the role of various chemical additives on ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used will include S, P, Ag, Cu, Mn, and Na. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of studies including temperature programmed desorption, infrared study of NO adsorption, reactive probing, steady state rate measurement, and transient kinetic study. A better understanding of the role of additive may allow us to use chemical additives to manipulate the catalytic properties of Rh- and Ni-based catalysts for producing high yields of ethanol from syngas. CO insertion is known to be a key step to the formation of acetaldehyde and ethanol from CO hydrogenation over Rh catalysts. Ethylene hydroformylation has often served as a probe to determine CO insertion capabilities of Rh catalysts. The mechanism of CO insertion in ethylene hydroformylation over Rh/SiO{sub 2} was investigated.

  10. Synthesis of coaxial nanotubes of polyaniline and poly(hydroxyethyl methacrylate by oxidative/initiated chemical vapor deposition

    Directory of Open Access Journals (Sweden)

    Alper Balkan

    2017-04-01

    Full Text Available Vapor-phase synthesis techniques of polymeric nanostructures offer unique advantages over conventional, solution-based techniques because of their solventless nature. In this work, we report the fabrication of coaxial polymer nanotubes using two different chemical vapor deposition methods. The fabrication process involves the deposition of an outer layer of the conductive polyaniline (PANI by oxidative chemical vapor deposition, followed by the deposition of the inner layer of poly(2-hydroxyethyl methacrylate (pHEMA hydrogel by initiated chemical vapor deposition. The vapor-phase techniques allowed for fine-tuning of the thickness of the individual layers, keeping the functionalities of the polymers intact. The response of the single components and the coaxial nanotubes to changes in humidity was investigated for potential humidity sensor applications. For single-component conductive PANI nanotubes, the resistance changed parabolically with relative humidity because of competing effects of doping and swelling of the PANI polymer under humid conditions. Introducing a hydrogel inner layer increased the overall resistance, and enhanced swelling, which caused the resistance to continuously increase with relative humidity.

  11. Synthesis of coaxial nanotubes of polyaniline and poly(hydroxyethyl methacrylate) by oxidative/initiated chemical vapor deposition.

    Science.gov (United States)

    Balkan, Alper; Armagan, Efe; Ozaydin Ince, Gozde

    2017-01-01

    Vapor-phase synthesis techniques of polymeric nanostructures offer unique advantages over conventional, solution-based techniques because of their solventless nature. In this work, we report the fabrication of coaxial polymer nanotubes using two different chemical vapor deposition methods. The fabrication process involves the deposition of an outer layer of the conductive polyaniline (PANI) by oxidative chemical vapor deposition, followed by the deposition of the inner layer of poly(2-hydroxyethyl methacrylate) (pHEMA) hydrogel by initiated chemical vapor deposition. The vapor-phase techniques allowed for fine-tuning of the thickness of the individual layers, keeping the functionalities of the polymers intact. The response of the single components and the coaxial nanotubes to changes in humidity was investigated for potential humidity sensor applications. For single-component conductive PANI nanotubes, the resistance changed parabolically with relative humidity because of competing effects of doping and swelling of the PANI polymer under humid conditions. Introducing a hydrogel inner layer increased the overall resistance, and enhanced swelling, which caused the resistance to continuously increase with relative humidity.

  12. Structural, chemical and optical properties of SnO2 NPs obtained by three different synthesis routes

    Science.gov (United States)

    Drzymała, Elżbieta; Gruzeł, Grzegorz; Depciuch, Joanna; Budziak, Andrzej; Kowal, Andrzej; Parlinska-Wojtan, Magdalena

    2017-08-01

    Polyol (P), chemical precipitation (C) and microwave-assisted (M) syntheses were chosen to produce SnO2 nanoparticles with uniform size and minimum agglomeration. Their structural, chemical and optical properties were investigated using dynamic light scattering (DLS), scanning transmission electron microscopy (STEM), Raman, Fourier Transform Infrared (FTIR) using the Attenuated Total Reflectance (ATR) technique and Ultraviolet-Visible (UV-Vis) spectroscopies. STEM observations showed that the SnO2(P) and SnO2(C) nanoparticles (NPs) are combined into larger agglomerates with heterogeneous thickness, while the microwave-assisted NPs form a uniform thin layer across the TEM grid. The strongest agglomeration of the SnO2(C) NPs, observed by DLS, STEM and UV-Vis is explained by the very moderate amount of water present on the surface of the NPs identified by FTIR spectroscopy. High resolution STEM combined with SAED and X-ray diffraction (XRD) patterns confirmed the crystalline character of the NPs. In the nanoparticles from polyol synthesis, chlorine from the remains of metal precursors during reduction was detected by energy dispersive spectroscopy (EDS), contrary to the NPs obtained by the chemical precipitation and microwave-assisted methods. All three syntheses routes lead to small, 2-10 nm SnO2 NPs, which were the result of the low concentration of Cl ions in the solutions.

  13. Practical application of thermodynamics in the optimal synthesis of chemical and biotechnological processes

    OpenAIRE

    Forero Hernández, Héctor Alexánder

    2015-01-01

    In most chemical engineering design problems it is required a complex set of research steps so as to establish the operating conditions in which the process reaches the highest conversion, yield and productivity. However, these steps are tedious, complex and can lead to mistakes. To differ from this, the coupled application of the thermodynamics and the graph-theory appears can be considered as an alternative to design chemical and biotechnological processes. So, in that way, this master’s th...

  14. Shape-selective catalysis for synthesis of high-value chemicals from aromatics in coal liquids

    Energy Technology Data Exchange (ETDEWEB)

    Song, Chunshan; Schobert, H.H. [Pennsylvania State Univ., University Park, PA (United States)

    1996-12-31

    Liquids derived from coals contain numerous aromatic compounds. Many of the one- to four-ring aromatic and polar compounds can be converted into valuable chemicals. Economic analysis of the viability of liquefaction (and related conversion processes) may well produce a different result if some of the aromatics and phenolics are used for making high-value chemicals and some of the liquids for making high-quality fuels such as thermally stable aviation fuels. To make effective use of aromatics in coal liquids, we are studying shape-selective catalytic conversion of multi-ring compounds. The products of such reactions are intermediates for making value-added chemicals, monomers of advanced polymer materials, or components of advanced jet fuels. Two broad strategic approaches can be used for making chemicals and materials from coals. The first is the indirect approach: conversion of coals to liquids, followed by transformation of compounds in the liquids into value-added products. The second is direct conversion of coals to materials and chemicals. Both approaches are being explored in this laboratory. In this paper, we will give an account of our recent work on (1) shape-selective catalysis which demonstrates that high-value chemicals can be obtained from aromatic compounds by catalytic conversion over certain zeolites; and (2) catalytic graphitization of anthracites, which reveals that using some metal compounds promotes graphitization at lower temperatures and may lead to a more efficient process for making graphites from coals.

  15. Synthesis of Metal Oxide Nanomaterials for Chemical Sensors by Molecular Beam Epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Nandasiri, Manjula I.; Kuchibhatla, Satyanarayana V N T; Thevuthasan, Suntharampillai

    2013-12-01

    Since the industrial revolution, detection and monitoring of toxic matter, chemical wastes, and air pollutants has become an important environmental issue. Thus, it leads to the development of chemical sensors for various environmental applications. The recent disastrous oil spills over the near-surface of ocean due to the offshore drilling emphasize the use of chemical sensors for prevention and monitoring of the processes that might lead to these mishaps.1, 2 Chemical sensors operated on a simple principle that the sensing platform undergoes a detectable change when exposed to the target substance to be sensed. Among all the types of chemical sensors, solid state gas sensors have attracted a great deal of attention due to their advantages such as high sensitivity, greater selectivity, portability, high stability and low cost.3, 4 Especially, semiconducting metal oxides such as SnO2, TiO2, and WO3 have been widely used as the active sensing platforms in solid state gas sensors.5 For the enhanced properties of solid state gas sensors, finding new sensing materials or development of existing materials will be needed. Thus, nanostructured materials such as nanotubes,6-8 nanowires,9-11 nanorods,12-15 nanobelts,16, 17 and nano-scale thin films18-23 have been synthesized and studied for chemical sensing applications.

  16. Empirically based development of a framework for advancing and stimulating collaboration in the chemical industry (ASC) : Creating sustainable chemical industrial parks

    NARCIS (Netherlands)

    Reniers, Genserik; Dullaert, Wout; Visser, Lenny

    2010-01-01

    Based on literature, we identify collaboration drivers and partner features for enhancing vertical and/or horizontal collaboration in the chemicals using industries. We further develop constructs for both types of collaboration. A survey-based analysis within the largest chemical cluster worldwide

  17. Stereo-, Temporal and Chemical Control through Photoactivation of Living Radical Polymerization: Synthesis of Block and Gradient Copolymers.

    Science.gov (United States)

    Shanmugam, Sivaprakash; Boyer, Cyrille

    2015-08-12

    Nature has developed efficient polymerization processes, which allow the synthesis of complex macromolecules with a perfect control of tacticity as well as molecular weight, in response to a specific stimulus. In this contribution, we report the synthesis of various stereopolymers by combining a photoactivated living polymerization, named photoinduced electron transfer-reversible addition-fragmentation chain transfer (PET-RAFT) with Lewis acid mediators. We initially investigated the tolerance of two different photoredox catalysts, i.e., Ir(ppy)3 and Ru(bpy)3, in the presence of a Lewis acid, i.e., Y(OTf)3 and Yb(OTf)3, to mediate the polymerization of N,N-dimethyl acrylamide (DMAA). An excellent control of tacticity as well as molecular weight and dispersity was observed when Ir(ppy)3 and Y(OTf)3 were employed in a methanol/toluene mixture, while no polymerization or poor control was observed with Ru(bpy)3. In comparison to a thermal system, a lower amount of Y(OTf)3 was required to achieve good control over the tacticity. Taking advantage of the temporal control inherent in our system, we were able to design complex macromolecular architectures, such as atactic block-isotactic and isotactic-block-atactic polymers in a one-pot polymerization approach. Furthermore, we discovered that we could modulate the degree of tacticity through a chemical stimulus, by varying [DMSO]0/[Y(OTf)3]0 ratio from 0 to 30 during the polymerization. The stereochemical control afforded by the addition of a low amount of DMSO in conjunction with the inherent temporal control enabled the synthesis of stereogradient polymer consisting of five different stereoblocks in one-pot polymerization.

  18. Post-synthesis amine borane functionalization of metal-organic framework and its unusual chemical hydrogen release phenomenon

    KAUST Repository

    Berke, Heinz

    2017-05-11

    We report a novel strategy for post-synthesis amine borane functionalization of MOFs under gas-solid phase transformation utilizing gaseous diborane. The covalently confined amine borane derivative decorated on the framework backbone is stable when preserved at low temperature, but spontaneously liberates soft chemical hydrogen at room temperature leading to the development of an unusual borenium type species (-NH=BH2+) ion-paired with hydroborate anion. Furthermore, the unsaturated amino borane (-NH=BH2) and the -iminodiborane ((--NHB2H5) were detected as final products. A combination of DFT based molecular dynamics simulations and solid state NMR spectroscopy, utilizing isotopically enriched materials, were undertaken to unequivocally elucidate the mechanistic pathways for H2 liberation.

  19. Synthesis and characterization of Mn doped ZnCdS core shell nanostructures QDs using a chemical precipitation route

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Manpreet [Department of Nanotechnology, Sri Guru Granth Sahib World University, Fatehgarh Sahib-140406, Punjab (India); Pandey, O. P. [School of Physics and Materials Science, Thapar University, Patiala, Punjab (India); Sharma, Manoj, E-mail: manojnarad@gmail.com [Department of Nanotechnology, Sri Guru Granth Sahib World University, Fatehgarh Sahib-140406, Punjab (India); UNAM–Institute of Materials Science and Nanotechnology, Bilkent University, Ankara, 06800 (Turkey)

    2016-04-13

    With advancement in time, researchers has drawn great attention in the synthesis and characterization of mono dispersed alloyed nanocomposites of II-VI compounds. Ternary semiconductor alloyed ZnCdS quantum dots (QD’s) exhibit properties intermediate between those of ZnS and CdS. It shows high absorption coefficients, a composition tunable and size tunable band gap. Moreover, ZnCdS alloyed NC’s display unique composition dependent properties distinct from those of their bulk counterparts. The most striking feature of the alloyed NC’s nanocrystals is their unusual long time stability in emission wavelength. ZnCdS alloyed QD’s at room temperature has been synthesized using chemical precipitation method. Undoped and Mn{sup 2+} doped ZnCdS QDs have been synthesized and studied. UV-visible absorption spectrum shows absorbance in the visible region and photoluminescence (PL) emission spectra of the doped ZnCdS QD’s shows orange emission in comparison to weak blue emission from undoped QDs. The crystallite size is calculated from the XRD patterns. The experimental results indicate that this easy synthesis route would prove a versatile approach for the preparation of doped and undoped ZnCdS QD’s.

  20. Synthesis of a probe for monitoring HSV1-tk reporter gene expression using chemical exchange saturation transfer MRI.

    Science.gov (United States)

    Bar-Shir, Amnon; Liu, Guanshu; Greenberg, Marc M; Bulte, Jeff W M; Gilad, Assaf A

    2013-12-01

    In experiments involving transgenic animals or animals treated with transgenic cells, it is important to have a method to monitor the expression of the relevant genes longitudinally and noninvasively. An MRI-based reporter gene enables monitoring of gene expression in the deep tissues of living subjects. This information can be co-registered with detailed high-resolution anatomical and functional information. We describe here the synthesis of the reporter probe, 5-methyl-5,6-dihydrothymidine (5-MDHT), which can be used for imaging of the herpes simplex virus type 1 thymidine kinase (HSV1-tk) reporter gene expression in rodents by MRI. The protocol also includes data acquisition and data processing routines customized for chemical exchange saturation transfer (CEST) contrast mechanisms. The dihydropyrimidine 5-MDHT is synthesized through a catalytic hydrogenation of the 5,6-double bond of thymidine to yield 5,6-dihydrothymidine, which is methylated on the C-5 position of the resulting saturated pyrimidine ring. The synthesis of 5-MDHT can be completed within 5 d, and the compound is stable for more than 1 year.

  1. Bridging the gap between cell biology and organic chemistry: chemical synthesis and biological application of lipidated peptides and proteins.

    Science.gov (United States)

    Peters, Carsten; Wagner, Melanie; Völkert, Martin; Waldmann, Herbert

    2002-09-01

    We have developed a basic concept for studying cell biological phenomena using an interdisciplinary approach starting from organic chemistry. Based on structural information available for a given biological phenomenon, unsolved chemical problems are identified. For their solution, new synthetic pathways and methods are developed, which reflect the state of the art in synthesising lipidated peptide conjugates. These compounds are used as molecular probes for the investigation of biological phenomena that involve both the determination of biophysical properties and cell biological studies. The interplay between organic synthesis, biophysics and cell biology in the study of protein lipidation may open up new and alternative opportunities to gain knowledge about the biological phenomenon that could not be obtained by employing biological techniques alone. This fruitful combination is highlighted using the Ras protein as an outstanding example. Included herein is: the development of methods for the synthesis of Ras-derived peptides and fully functional Ras proteins, the determination of the biophysical properties, in particular the ability to bind to model membranes, and finally the use of synthetic Ras peptides and proteins in cell biological experiments.

  2. Chemical synthesis and assembly of uniformly sized iron oxide nanoparticles for medical applications.

    Science.gov (United States)

    Ling, Daishun; Lee, Nohyun; Hyeon, Taeghwan

    2015-05-19

    Magnetic iron oxide nanoparticles have been extensively investigated for their various biomedical applications including diagnostic imaging, biological sensing, drug, cell, and gene delivery, and cell tracking. Recent advances in the designed synthesis and assembly of uniformly sized iron oxide nanoparticles have brought innovation in the field of nanomedicine. This Account provides a review on the recent progresses in the controlled synthesis and assembly of uniformly sized iron oxide nanoparticles for medical applications. In particular, it focuses on three topics: stringent control of particle size during synthesis via the "heat-up" process, surface modification for the high stability and biocompatibility of the nanoparticles for diagnostic purposes, and assembly of the nanoparticles within polymers or mesoporous silica matrices for theranostic applications. Using extremely small 3 nm sized iron oxide nanoparticles (ESION), a new nontoxic T1 MRI contrast agent was realized for high-resolution MRI of blood vessels down to 0.2 mm. Ferrimagnetic iron oxide nanoparticles (FION) that are larger than 20 nm exhibit extremely large magnetization and coercivity values. The cells labeled with FIONs showed very high T2 contrast effect so that even a single cell can be readily imaged. Designed assembly of iron oxide nanoparticles with mesoporous silica and polymers was conducted to fabricate multifunctional nanoparticles for theranostic applications. Mesoporous silica nanoparticles are excellent scaffolds for iron oxide nanoparticles, providing magnetic resonance and fluorescence imaging modalities as well as the functionality of the drug delivery vehicle. Polymeric ligands could be designed to respond to various biological stimuli such as pH, temperature, and enzymatic activity. For example, we fabricated tumor pH-sensitive magnetic nanogrenades (termed PMNs) composed of self-assembled iron oxide nanoparticles and pH-responsive ligands. They were utilized to visualize

  3. A systematic synthesis and design methodology to achieve process intensification in (bio) chemical processes

    DEFF Research Database (Denmark)

    Lutze, Philip; Roman Martinez, Alicia; Woodley, John

    2012-01-01

    be intensified for the biggest improvement is difficult to identify. In this paper the development of a systematic computer aided model-based synthesis and design methodology incorporating PI is presented. In order to manage the complexities involved, the methodology employs a decomposition-based solution...... approach. Starting from an analysis of existing processes, the methodology generates a set of process options and reduces their number through several screening steps until from the remaining options, the optimal is found. The application of the methodology is highlighted through a case study involving...

  4. A systematic synthesis and design methodology to achieve process intensification in (bio) chemical processes

    DEFF Research Database (Denmark)

    Lutze, Philip; Woodley, John; Gani, Rafiqul

    be intensified for biggest improvement, process synthesis and design tools are applied which results in the development of a systematic methodology incorporating PI. In order to manage the complexity of PI process options in which a feasible and optimal process solution may exist, the solution procedure...... of this methodology is based on the decomposition approach. Starting from an analysis of existing processes, this methodology generates a set of feasible process options and reduces their number through several screening steps until from the remaining feasible options, the optimal is found. In this presentation...

  5. Anaerobic treatment of a chemical synthesis-based pharmaceutical wastewater in a hybrid upflow anaerobic sludge blanket reactor.

    Science.gov (United States)

    Oktem, Yalcin Askin; Ince, Orhan; Sallis, Paul; Donnelly, Tom; Ince, Bahar Kasapgil

    2008-03-01

    In this study, performance of a lab-scale hybrid up-flow anaerobic sludge blanket (UASB) reactor, treating a chemical synthesis-based pharmaceutical wastewater, was evaluated under different operating conditions. This study consisted of two experimental stages: first, acclimation to the pharmaceutical wastewater and second, determination of maximum loading capacity of the hybrid UASB reactor. Initially, the carbon source in the reactor feed came entirely from glucose, applied at an organic loading rate (OLR) 1 kg COD/m(3) d. The OLR was gradually step increased to 3 kg COD/m(3) d at which point the feed to the hybrid UASB reactor was progressively modified by introducing the pharmaceutical wastewater in blends with glucose, so that the wastewater contributed approximately 10%, 30%, 70%, and ultimately, 100% of the carbon (COD) to be treated. At the acclimation OLR of 3 kg COD/m(3) d the hydraulic retention time (HRT) was 2 days. During this period of feed modification, the COD removal efficiencies of the anaerobic reactor were 99%, 96%, 91% and 85%, and specific methanogenic activities (SMA) were measured as 240, 230, 205 and 231 ml CH(4)/g TVS d, respectively. Following the acclimation period, the hybrid UASB reactor was fed with 100% (w/v) pharmaceutical wastewater up to an OLR of 9 kg COD/m(3) d in order to determine the maximum loading capacity achievable before reactor failure. At this OLR, the COD removal efficiency was 28%, and the SMA was measured as 170 ml CH(4)/g TVS d. The hybrid UASB reactor was found to be far more effective at an OLR of 8 kg COD/m(3) d with a COD removal efficiency of 72%. At this point, SMA value was 200 ml CH(4)/g TVS d. It was concluded that the hybrid UASB reactor could be a suitable alternative for the treatment of chemical synthesis-based pharmaceutical wastewater.

  6. Ants as tools in sustainable agriculture

    DEFF Research Database (Denmark)

    Offenberg, Joachim

    2015-01-01

    1. With an expanding human population placing increasing pressure on the environment, agriculture needs sustainable production that can match conventional methods. Integrated pest management (IPM) is more sustainable, but not necessarily as efficient as conventional non-sustainable measures. 2...... in multiple crops. Their efficiency is comparable to chemical pesticides or higher, while at lower costs. They provide a rare example of documented efficient conservation biological control. 3. Weaver ants share beneficial traits with almost 13 000 other ant species and are unlikely to be unique...... of agricultural systems, this review emphasizes the potential of managing ants to achieve sustainable pest management solutions. The synthesis suggests future directions and may catalyse a research agenda on the utilization of ants, not only against arthropod pests, but also against weeds and plant diseases...

  7. Magnesium carbide synthesis from methane and magnesium oxide - a potential methodology for natural gas conversion to premium fuels and chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, A.F.; Modestino, A.J.; Howard, J.B. [Massachusetts Institute of Technology, Cambridge, MA (United States)] [and others

    1995-12-31

    Diversification of the raw materials base for manufacturing premium fuels and chemicals offers U.S. and international consumers economic and strategic benefits. Extensive reserves of natural gas in the world provide a valuable source of clean gaseous fuel and chemical feedstock. Assuming the availability of suitable conversion processes, natural gas offers the prospect of improving flexibility in liquid fuels and chemicals manufacture, and thus, the opportunity to complement, supplement, or displace petroleum-based production as economic and strategic considerations require. The composition of natural gas varies from reservoir to reservoir but the principal hydrocarbon constituent is always methane (CH{sub 4}). With its high hydrogen-to-carbon ratio, methane has the potential to produce hydrogen or hydrogen-rich products. However, methane is a very chemically stable molecule and, thus, is not readily transformed to other molecules or easily reformed to its elements (H{sub 2} and carbon). In many cases, further research is needed to augment selectivity to desired product(s), increase single-pass conversions, or improve economics (e.g. there have been estimates of $50/bbl or more for liquid products) before the full potential of these methodologies can be realized on a commercial scale. With the trade-off between gas conversion and product selectivity, a major challenge common to many of these technologies is to simultaneously achieve high methane single-pass conversions and high selectivity to desired products. Based on the results of the scoping runs, there appears to be strong indications that a breakthrough has finally been achieved in that synthesis of magnesium carbides from MgO and methane in the arc discharge reactor has been demonstrated.

  8. Synthesis, characterization, biocompatible and anticancer activity of green and chemically synthesized silver nanoparticles - A comparative study.

    Science.gov (United States)

    Kummara, Sivaiah; Patil, Mrityunjaya B; Uriah, Tiewlasubon

    2016-12-01

    Silver nanoparticles (AgNPs) are superior cluster of nanomaterials that are recently recognized for their different applications in various pharmaceutical and clinical settings. The objective of this work deals with novel method for biosynthesis of AgNPs using Azadirachta indica (neem) leaf extract as reducing agent. These bio and chemical synthesized nanoparticles were characterized with the help of UV-vis Spectroscopy, Nanotarc, Dynamic light scattering (DLS), Zeta Potential (ZP), Transmission Electron Microscopy and Fourier transform infrared spectroscopy (FTIR). The obtained results from Nanotrac and TEM revealed that the synthesized AgNPs possess spherical shape with a mean diameter at 94nm for green and 104nm for chemical method, the zeta potential values was -12.02mV for green AgNPs and -10.4mV for chemical AgNPs. In addition, FT-IR measurement analysis was conceded out to identify the Ag(+) ions reduced from the specific functional groups on the AgNPs, which increased the stability of the particles. Further, we compared the toxicities of green and chemical AgNPs against human skin dermal fibroblast (HDFa) and brine shrimp followed by anticancer activity in NCI-H460 cells. We observed green AgNPs cause dose-dependent decrease in cell viability and increase in reactive oxygen species (ROS) generation. Further, we proved to exhibit excellent cytotoxic effect and induction of cellular apoptosis in NCI-H460 cells. Furthermore, green AgNPs had no significant changes in cell viability, ROS production and apoptotic changes in HDFa cells. In contrary, we observed that the chemical AgNPs possess significant toxicities in HDFa cells. Hence, the green AgNPs were able to induce selective toxicity in cancer cells than the chemical AgNPs. Furthermore, green AgNPs exhibit less toxic effects against human red blood cells and brine shrimp (Artemia salina) nauplii than the chemical AgNPs. It was concluded, that apart from being superior over chemical AgNPs, the green Ag

  9. Chemical synthesis and translesion replication of a cis–syn cyclobutane thymine–uracil dimer

    Science.gov (United States)

    Takasawa, Kohei; Masutani, Chikahide; Hanaoka, Fumio; Iwai, Shigenori

    2004-01-01

    The cytosine base in DNA undergoes hydrolytic deamination at a considerable rate when UV radiation induces formation of a cyclobutane pyrimidine dimer (CPD) with an adjacent pyrimidine base. We have synthesized a phosphoramidite building block of a cis–syn cyclobutane thymine–uracil dimer (T[]U), which is the deaminated form of the CPD at a TC site, and incorporated it into oligodeoxyribonucleotides. The previously reported method for synthesis of the thymine dimer (T[]T) was applied, using partially protected thymidylyl-(3′–5′)-2′-deoxyuridine as the starting material, and after triplet- sensitized irradiation, the configuration of the base moiety in the major product was determined by NMR spectroscopy. Presence of the cis–syn cyclobutane dimer in the obtained oligonucleotides was confirmed by UV photoreversal and reaction with T4 endonuclease V. Using a 30mer containing T[]U, translesion synthesis by human DNA polymerase η was analyzed. There was no difference in the results between the templates containing T[]T and T[]U and pol η bypassed both lesions with the same efficiency, incorporating two adenylates. This enzyme showed fidelity to base pair formation, but this replication causes a C→T transition because the original sequence is TC. PMID:15020710

  10. Chemical synthesis and translesion replication of a cis-syn cyclobutane thymine-uracil dimer.

    Science.gov (United States)

    Takasawa, Kohei; Masutani, Chikahide; Hanaoka, Fumio; Iwai, Shigenori

    2004-01-01

    The cytosine base in DNA undergoes hydrolytic deamination at a considerable rate when UV radiation induces formation of a cyclobutane pyrimidine dimer (CPD) with an adjacent pyrimidine base. We have synthesized a phosphoramidite building block of a cis-syn cyclobutane thymine-uracil dimer (T[]U), which is the deaminated form of the CPD at a TC site, and incorporated it into oligodeoxyribonucleotides. The previously reported method for synthesis of the thymine dimer (T[]T) was applied, using partially protected thymidylyl-(3'-5')-2'-deoxyuridine as the starting material, and after triplet- sensitized irradiation, the configuration of the base moiety in the major product was determined by NMR spectroscopy. Presence of the cis-syn cyclobutane dimer in the obtained oligonucleotides was confirmed by UV photoreversal and reaction with T4 endonuclease V. Using a 30mer containing T[]U, translesion synthesis by human DNA polymerase eta was analyzed. There was no difference in the results between the templates containing T[]T and T[]U and pol eta bypassed both lesions with the same efficiency, incorporating two adenylates. This enzyme showed fidelity to base pair formation, but this replication causes a C-->T transition because the original sequence is TC.

  11. Evolution of Fe Species during the Synthesis of Over-Exchanged Fe/ZSM5 Obtained by Chemical Vapor Deposition of FeCl3

    NARCIS (Netherlands)

    Koningsberger, D.C.; Battiston, A.A.; Bitter, J.H.; Groot, F.M.F. de; Overweg, A.R.; Stephan, O.; Bokhoven, J.A. van; Kooyman, P.J.

    2003-01-01

    The evolution of iron in over-exchanged Fe/ZSM5 prepared via chemical vapor deposition of FeCl{3} was studied at each stage of the synthesis. Different characterization techniques (EXAFS, HR-XANES, }5{}7{Fe Mossbauer spectroscopy, }2{}7{Al NMR, EELS, HR-TEM, XRD, N{2} physisorption, and FTIR

  12. Evolution of Fe species during the synthesis of over-exchanged Fe/ZSM5 obtained by chemical vapor deposition of FeCl3

    NARCIS (Netherlands)

    Battiston, AA; Bitter, JH|info:eu-repo/dai/nl/160581435; de Groot, FMF|info:eu-repo/dai/nl/08747610X; Overweg, AR; Stephan, O; van Bokhoven, JA; Kooyman, PJ; van der Spek, C; Vanko, G; Koningsberger, DC

    2003-01-01

    The evolution of iron in over-exchanged Fe/ZSM5 prepared via chemical vapor deposition of FeCl3 was studied at each stage of the synthesis. Different characterization techniques (EXAFS, HR-XANES, Fe-57 Mossbauer spectroscopy, Al-27 NMR, EELS, HR-TEM, XRD, N-2 physisorption, and FTIR spectroscopy)

  13. Chemical synthesis and biological evaluation of cis- and trans-12,13-cyclopropyl and 12,13-cyclobutyl epothilones and related pyridine side chain analogues

    DEFF Research Database (Denmark)

    Nicolaou, K C; Namoto, K; Ritzén, A

    2001-01-01

    The design, chemical synthesis, and biological evaluation of a series of cyclopropyl and cyclobutyl epothilone analogues (3-12, Figure 1) are described. The synthetic strategies toward these epothilones involved a Nozaki-Hiyama-Kishi coupling to form the C15-C16 carbon-carbon bond, an aldol...... and potentially clinically useful biological properties to the epothilone scaffold....

  14. Synthesis and physical-chemical properties of functional derivatives of 3-benzyl-8-propylxanthinyl-7-acetic acid

    Directory of Open Access Journals (Sweden)

    E. K. Mikhal’chenko

    2017-08-01

    Full Text Available Introduction. Synthetic research of new biologically active compounds occupies an important place in modern pharmaceutical science.Thus it is important to develop techniques for the biologically active substances functionalization. Esters and amides take special place among the variety of functional derivatives of organic acids,. These fragments are well-known pharmacophores and could be found in a wide range of drugs. Thus, the nootropic agent pyracetam is 2-oxo-1-pyrolidineacetamide, and is the selective antagonist of β-adrenoreceptores; atenolol is a derivative of benzeneacetamide. Substituted acetamide and ester fragments are also present in the structures of aprofen, spasmolitin, acetylidine and β-lactam cephalosporins and penicillins antibiotics.Aim of our research was the synthetic method development for functional derivatives of 3-benzyl-8-propylxanthinyl-7-acetic acid and the study of their physical-chemical properties. Materials and methods. Melting points were determined using capillary method on DMP (M. 1Н NMR-spectra were recorded by Varian Mercury VX-200 device (company «Varian» – USA solvent – (DMSO-d6, internal standard – ТМS. Elemental analysis of obtained compounds was produced on device Elementar Vario L cube. Chemical shifts were reported in ppm (parts per million values. Infrared (IR spectra were measured on a Bruker Alpha instrument using a potassium bromide (KBr disk, scanning from 400 to 4000 cm-1. Results and discussion. We selected 3-benzyl-8-propylxanthinyl-7-acetic acid as initial compound for our study. For synthesis of hexyl, heptyl, octyl, nonyl, decyl and benzyl esters of 3-benzyl-8-propylxanthinyl-7-acetic acid we used alternative method, that included alkylation of sodium salts of acids with alkyl halogens. Reaction was made at DMF medium by reflux of reagents. Next stage of our research was the synthesis of amides of 3-beznyl-8-propylxanthinyl-7-acetic acid by the reaction of ethyl or propyl esters

  15. Chemical synthesis of a dual branched malto-decaose: A potential substrate for alpha-amylases

    DEFF Research Database (Denmark)

    Damager, Iben; Jensen, Morten; Olsen, Carl Erik

    2005-01-01

    . Using this chemically defined branched oligosaccharide as a substrate, the cleavage pattern of seven different alpha-amylases were investigated. alpha-Amylases from human saliva, porcine pancreas, barley alpha-amylose 2 and recombinant barley alpha-amylase 1 all hydrolysed the decasaccharide selectively...

  16. Chemical synthesis of oriented ferromagnetic LaSr-2 × 4 manganese oxide molecular sieve nanowires.

    Science.gov (United States)

    Carretero-Genevrier, Adrián; Gazquez, Jaume; Magén, César; Varela, María; Ferain, Etienne; Puig, Teresa; Mestres, Narcís; Obradors, Xavier

    2012-06-25

    We report a chemical solution based method using nanoporous track-etched polymer templates for producing long and oriented LaSr-2 × 4 manganese oxide molecular sieve nanowires. Scanning transmission electron microscopy and electron energy loss spectroscopy analyses show that the nanowires are ferromagnetic at room temperature, single crystalline, epitaxially grown and self-aligned.

  17. Synthesis of Nitrogen-Doped Carbon Nanotubes Using Injection-Vertical Chemical Vapor Deposition: Effects of Synthesis Parameters on the Nitrogen Content

    Directory of Open Access Journals (Sweden)

    Abdouelilah Hachimi

    2015-01-01

    Full Text Available Nitrogen-doped CNTs (N-CNTs were synthesized using an injection-vertical chemical vapor deposition (IV-CVD reactor. This type of reactor is quite useful for the continuous mass production of CNTs. In this work, the optimum deposition conditions for maximizing the incorporation of nitrogen were identified. Ferrocene served as the source of the Fe catalyst and was dissolved in acetonitrile, which served as both the hydrocarbon and nitrogen sources. Different concentrations of ferrocene in acetonitrile were introduced into the top of a vertically aligned reactor at a constant flow rate with hydrogen serving as the carrier. The effects of hydrogen flow rate, growth temperature, and catalyst loading (Fe from the ferrocene on the microstructure, elemental composition, and yield of N-CNTs were investigated. The N-CNTs possessed a bamboo-like microstructure with a nitrogen doping level as high as 14 at.% when using 2.5 to 5 mg/mL of the ferrocene/acetonitrile mixture at 800°C under a 1000 sccm flow of hydrogen. A production rate of 100 mg/h was achieved under the optimized synthesis conditions.

  18. Conotoxin TVIIA, a novel peptide from the venom of Conus tulipa 1. Isolation, characterization and chemical synthesis.

    Science.gov (United States)

    Hill, J M; Atkins, A R; Loughnan, M L; Jones, A; Adams, D A; Martin, R C; Lewis, R J; Craik, D J; Alewood, P F

    2000-08-01

    A novel conotoxin belonging to the 'four-loop' structural class has been isolated from the venom of the piscivorous cone snail Conus tulipa. It was identified using a chemical-directed strategy based largely on mass spectrometric techniques. The new toxin, conotoxin TVIIA, consists of 30 amino-acid residues and contains three disulfide bonds. The amino-acid sequence was determined by Edman analysis as SCSGRDSRCOOVCCMGLMCSRGKCVSIYGE where O = 4-transL-hydroxyproline. Two under-hydroxylated analogues, [Pro10]TVIIA and [Pro10,11]TVIIA, were also identified in the venom of C. tulipa. The sequences of TVIIA and [Pro10]TVIIA were further verified by chemical synthesis and coelution studies with native material. Conotoxin TVIIA has a six cysteine/four-loop structural framework common to many peptides from Conus venoms including the omega-, delta- and kappa-conotoxins. However, TVIIA displays little sequence homology with these well-characterized pharmacological classes of peptides, but displays striking sequence homology with conotoxin GS, a peptide from Conus geographus that blocks skeletal muscle sodium channels. These new toxins and GS share several biochemical features and represent a distinct subgroup of the four-loop conotoxins.

  19. Synthesis of relaxin-2 and insulin-like peptide 5 enabled by novel tethering and traceless chemical excision.

    Science.gov (United States)

    Thalluri, Kishore; Kou, Binbin; Yang, Xu; Zaykov, Alexander N; Mayer, John P; Gelfanov, Vasily M; Liu, Fa; DiMarchi, Richard D

    2017-06-01

    This report presents an entirely chemical, general strategy for the synthesis of relaxin-2 and insulin-like peptide 5. Historically, these two peptides have represented two of the more synthetically challenging members of the insulin superfamily. The key synthetic steps involve two sequential oxime ligations to covalently link the individual A-chain and B-chain, followed by disulfide bond formation under aqueous, redox conditions. This is followed by two chemical reactions that employ diketopiperazine cyclization-mediated cleavage and ester hydrolysis to liberate the connecting peptide and the heterodimeric product. This approach avoids the conventional iodine-mediated disulfide bond formation and enzyme-assisted proteolysis to generate biologically active two-chain peptides. This novel synthetic strategy is ideally suited for peptides such as relaxin and insulin-like peptide 5 as they possess methionine and tryptophan that are labile under strong oxidative conditions. Additionally, these peptides possess multiple arginine and lysine residues that preclude the use of trypsin-like enzymes to obtain biologically active hormones. This synthetic methodology is conceivably applicable to other two-chain peptides that contain multiple disulfide bonds. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd.

  20. Chemical synthesis, characterisation, analytical method development and control to promote exposure assessments and toxicological testing. Highlights from COMPARE

    Energy Technology Data Exchange (ETDEWEB)

    Bergman, Aa.; Malmberg, T.; Weiss, J. [Stockholm Univ. (Sweden). Dept. of Environmental Chemistry

    2004-09-15

    The issue of endocrine disruptor effects in wildlife and humans grow increasingly important during the 1990s'. As part of the focus on endocrine disruptors new contaminants and their metabolites were put forward for studies with endpoints related to hormone disruption. One such large group of chemicals and/or metabolites of neutral semi-persistent or persistent compounds was the substituted phenols, particularly the halogenated phenolic compounds (HPCs). Polychlorobiphenylols (OHPCBs) were reported to be strongly retained in human blood plasma in 1995 and this article was the first study to point out the general retention of several OH-PCBs in the plasma. The metabolic formation of OH-PCBs was well known and the specific blood retention had been reported for at least one PCB congener, 3,3',4,4'-tetrachlorobiphenyl (CB-77) in some previous studies. The identification of OH-PCBs being retained in blood and their specific binding to transthyretin (TTR) has formed much of the basis for two EU R and D programs, first RENCO and now COMPARE. The present report is aimed to highlight some of the results obtained within the COMPARE program mainly dealing with the chemical synthesis, characterisation and analytical aspects of HPCs.

  1. Synthesis by aerosol assisted chemical vapor deposition and microstructural characterization of PbTiO{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ramos-Cano, J.; Hurtado-Macías, A.; Antúnez-Flores, W.; Fuentes-Cobas, L.; González-Hernández, J.; Amézaga-Madrid, P.; Miki-Yoshida, M., E-mail: mario.miki@cimav.edu.mx

    2013-03-01

    Thin films of PbTiO{sub 3} were deposited onto (001) silicon single-crystal substrates by aerosol assisted chemical vapor deposition method at different temperatures, using organometallic precursors. With the objective of stabilizing and homogenizing the perovskite phase, the films were annealed at 800 °C, in a Pb-rich atmosphere, for 4 and 6 h. The evolution of compositions and microstructure of the films was characterized before and after annealing, by grazing incidence X-ray diffraction, two-dimensional detection of grazing incidence diffraction with synchrotron radiation, scanning electron microscopy and high resolution transmission electron microscopy. X-ray diffraction results showed that the crystalline structure of optimized PbTiO{sub 3} films corresponded to a tetragonal perovskite-type, with lattice parameters a = 0.387(4) nm and c = 0.406(4) nm. In addition, the inverse pole figure of the fiber texture representation, had a Gaussian (1, 1, 0) component and distribution width Ω = 15°. - Highlights: ► We report the synthesis of homogeneous PbTiO{sub 3} thin films on Si substrates. ► They were synthesized by aerosol assisted chemical vapor deposition method. ► Detailed characterization by X-ray diffraction and electron microscopy was performed. ► Crystalline structure of PbTiO{sub 3} films corresponded to a tetragonal perovskite-type. ► The fiber texture representation had a Gaussian (1, 1, 0) component.

  2. Policies for the Sustainable Development of Biofuels in the Pan American Region: A Review and Synthesis of Five Countries.

    Science.gov (United States)

    Solomon, Barry D; Banerjee, Aparajita; Acevedo, Alberto; Halvorsen, Kathleen E; Eastmond, Amarella

    2015-12-01

    Rapid growth of biofuel production in the United States and Brazil over the past decade has increased interest in replicating this success in other nations of the Pan American region. However, the continued use of food-based feedstock such as maize is widely seen as unsustainable and is in some cases linked to deforestation and increased greenhouse gas emissions, raising further doubts about long-term sustainability. As a result, many nations are exploring the production and use of cellulosic feedstock, though progress has been extremely slow. In this paper, we will review the North-South axis of biofuel production in the Pan American region and its linkage with the agricultural sectors in five countries. Focus will be given to biofuel policy goals, their results to date, and consideration of sustainability criteria and certification of producers. Policy goals, results, and sustainability will be highlighted for the main biofuel policies that have been enacted at the national level. Geographic focus will be given to the two largest producers-the United States and Brazil; two smaller emerging producers-Argentina and Canada; and one stalled program-Mexico. However, several additional countries in the region are either producing or planning to produce biofuels. We will also review alternative international governance schemes for biofuel sustainability that have been recently developed, and whether the biofuel programs are being managed to achieve improved environmental quality and sustainable development.

  3. Policies for the Sustainable Development of Biofuels in the Pan American Region: A Review and Synthesis of Five Countries

    Science.gov (United States)

    Solomon, Barry D.; Banerjee, Aparajita; Acevedo, Alberto; Halvorsen, Kathleen E.; Eastmond, Amarella

    2015-12-01

    Rapid growth of biofuel production in the United States and Brazil over the past decade has increased interest in replicating this success in other nations of the Pan American region. However, the continued use of food-based feedstock such as maize is widely seen as unsustainable and is in some cases linked to deforestation and increased greenhouse gas emissions, raising further doubts about long-term sustainability. As a result, many nations are exploring the production and use of cellulosic feedstock, though progress has been extremely slow. In this paper, we will review the North-South axis of biofuel production in the Pan American region and its linkage with the agricultural sectors in five countries. Focus will be given to biofuel policy goals, their results to date, and consideration of sustainability criteria and certification of producers. Policy goals, results, and sustainability will be highlighted for the main biofuel policies that have been enacted at the national level. Geographic focus will be given to the two largest producers—the United States and Brazil; two smaller emerging producers—Argentina and Canada; and one stalled program—Mexico. However, several additional countries in the region are either producing or planning to produce biofuels. We will also review alternative international governance schemes for biofuel sustainability that have been recently developed, and whether the biofuel programs are being managed to achieve improved environmental quality and sustainable development.

  4. Synthesis of Cu doped ZnS nanostructures on flexible substrate using low cost chemical method

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Nitin, E-mail: nitinmishra97@gmail.com; Purohit, L. P., E-mail: lppurohit@gmail.com [Gurukula Kangari University, Haridwar UK (India); Goswami, Y. C., E-mail: y-goswami@yahoo.com [ITM University, Turari, Gwalior, MP (India)

    2015-08-28

    Flexible electronics is one of the emerging area of this era. In this paper we have reported synthesis of Cu doped Zinc sulphide nanostructures on filter paper flexible substrates. Zinc chloride and Thio urea were used as a precursor for Zinc and Sulphur. The structures were characterized by XRD, FE-SEM and UV visible spectrometer. All the peaks identified for cubic structure of ZnS. Appearance of small Cu peaks indicates incorporation of Cu into ZnS lattice. Zns nanostructures assembled as nanobelts and nanofibers as shown in FE-SEM micrographs. Compound Structures provide the reasonable electrical conductivity on filter paper. Absorption in UV region makes them suitable for flexible electronic devices.

  5. Facile and template-free method toward chemical synthesis of polyaniline film/nanotube structures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Pei [Department of Electrical and Computer Engineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh Pennsylvania 15261; Zhu, Yisi [Materials Science Division, Argonne National Lab, Lemont Illinois 60439; Torres, Jorge [Department of Electrical and Computer Engineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh Pennsylvania 15261; Lee, Seung Hee [Department of BIN Fusion Technology, Chonbuk National University, Jeonju 561-786 Korea; Yun, Minhee [Department of Electrical and Computer Engineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh Pennsylvania 15261

    2017-09-05

    A facile and template-free method is reported to synthesize a new thin film structure: polyaniline (PANI) film/nanotubes (F/N) structure. The PANI F/N is a 100-nm thick PANI film embedded with PANI nanotubes. This well-controlled method requires no surfactant or organic acid as well as relatively low concentration of reagents. Synthesis condition studies reveal that aniline oligomers with certain structures are responsible for guiding the growth of the nanotubes. Electrical characterization also indicates that the PANI F/N possesses similar field-effect transistor characteristics to bare PANI film. With its 20% increased surface-area-to-volume (S/V) ratio contributed by surface embedded nanotubes and the excellent p-type semiconducting characteristic, PANI F/N shows clear superiority compared with bare PANI film. Such advantages guarantee the PANI F/N a promising future toward the development of ultra-high sensitivity and low-cost biosensors.

  6. Synthesis and characterization of chemically and electrochemically prepared conducting polymer/iron oxalate composites

    Energy Technology Data Exchange (ETDEWEB)

    Visy, Csaba [Institute of Physical Chemistry, University of Szeged, P.O. Box 105, H-6701 Szeged (Hungary)], E-mail: visy@chem.u-szeged.hu; Bencsik, Gabor [Institute of Physical Chemistry, University of Szeged, P.O. Box 105, H-6701 Szeged (Hungary); Nemeth, Zoltan; Vertes, Attila [Department of Nuclear Chemistry, Eoetvoes Lorand University, P.O. Box 32, 1518 Budapest (Hungary)

    2008-04-20

    Poly(3-octyl-thiophene) (POT) and polypyrrole (PPy) iron oxalate composites were synthesized through a post-polymerization oxidative treatment. The composite of the latter has been prepared also by electrochemical polymerization. The samples have been characterized by X-ray diffraction (XRD), impedance spectroscopy, scanning electron microscope (SEM) combined with energy dispersive X-ray (EDX) spectroscopy, Moessbauer spectroscopy, cyclic voltammetry and electrochemical quartz crystal microbalance (EQCM). In case of PPy, two peaks in the XRD spectra show the presence of iron containing composite, while with POT only the layered structure originating from the octyl side-chain interactions was modified by the composite formation. The assumption of the weakening of short- and long-range interactions was proven by the decrease in conductivity of the composite. The successful electrochemical synthesis resulted a composite of {approx}5% iron content, determined by EDX. Moessbauer spectroscopy measurements evidenced a composite containing mixed valence iron oxalate doping ions, which supports the indirect EQCM data.

  7. Green Chemical Synthesis and Analgesic Activity of Fluorinated Thiazolidinone, Pyrazolidinone, and Dioxanedione Derivatives

    Directory of Open Access Journals (Sweden)

    Harshita Sachdeva

    2013-01-01

    Full Text Available Facile lemon juice catalyzed green and efficient synthesis of a series of new classes of 5-(fluorinatedbenzylidene-2-thioxo-1,3-thiazolidin-4-ones (3a–e, 5-methyl-4-(fluorinatedbenzylidene-2-phenylpyrazolidin-3-ones (5a–e, and 2,2-dimethyl-5-(fluorinatedbenzylidene-1,3-dioxane-4,6-diones (7a–e by the reaction of fluorinated aromatic aldehydes with active methylene compounds is reported. Lemon juice is natural acid catalyst which is readily available, cheap, nontoxic, and ecofriendly. This method is experimentally simple, clean, high yielding, green, and with reduced reaction times. The product is purified by simple filtration followed by washing with water and drying process. Some of the synthesized compounds have been evaluated “in vivo” for their analgesic activity and all the synthesized compounds are characterized by IR, 1H NMR, 13C NMR, 19F NMR, and mass spectral studies.

  8. An efficient and more sustainable one-step continuous-flow multicomponent synthesis approach to chromene derivatives

    Science.gov (United States)

    A simple and rapid one-step continuous-flow synthesis route has been developed for the preparation of chromene derivatives from the reaction of aromatic aldehydes, α-cyanomethylene compounds and naphthols. In this contribution, a one-step continuous-flow protocol in a continuous ...

  9. Challenges with managing hazardous chemicals in the international frame - opportunity for educating on sustainable chemistry and alternatives assessment

    DEFF Research Database (Denmark)

    Weber, R.; Fantke, Peter

    Introduction Within international chemicals management treaties like the Stockholm Convention on Persistent Organic Pollutants (POPs) or the Vienna Convention/Montreal Protocol on Ozone Depleting Substances (ODS) the phase out and management of hazardous chemicals is addressed globally. Decades...... of experiences have unveiled how difficult and expensive the management of listed chemicals is in particular the end of life. Method Past failures and on-going challenges to manage hazardous chemicals in the international context in particular the Stockholm Convention were assessed with considerations of a way...... forward. Results and Discussion The assessment shows the challenge with managing organohalogen compounds (chlorinated, brominated and fluorinated) in their life-cycle in particular in developing countries. In the past, often certain types of hazardous or unsustainable chemicals are continued to be used...

  10. Synthesis and physico-chemical characterization of a polysialate-hydroxyapatite composite for potential biomedical application

    Science.gov (United States)

    Zoulgami, M.; Lucas-Girot, A.; Michaud, V.; Briard, P.; Gaudé, J.; Oudadesse, H.

    2002-09-01

    New composite materials based on aluminosilicate materials were developed to be used in orthopaedic or maxillo-facial surgery. They are called geopolymers or polysialate-siloxo (PSS) and were studied alone or mixed with hydroxyapatite (HAP). The properties of these materials were investigated for potential use in biological or surgery applications. In this work, the chemistry involved in materials preparation was described. Samples were characterized by some physico-chemical methods like X-ray diffraction (XRD), infrared spectrometry (IR) and electron dispersion X-ray spectrometry (EDX). Results indicate that the mixing hydroxyapatite-geopolymer (PSS) leads to a neutral porous composite material with interesting physico-chemical properties. A preliminary evaluation of its cytotoxicity reveals an harmlessness towards fibroblasts. These properties allow to envisage this association as a potential biomaterial.

  11. Chemical recycling of poly(ethylene terephthalate. Application to the synthesis of multiblock copolyesters

    Directory of Open Access Journals (Sweden)

    F. Malek

    2014-08-01

    Full Text Available The chemical recycling of the poly(ethylene terephthalate, (PET, has been successfully carried out by glycolysis in the presence of bis (2-hydroxyethyl terephthalate (BHET resulting in the formation of hydroxytelechelic oligomers. These oligomers were then treated with carboxytelechelic poly(ε-caprolactone oligomers of Mn = 2300 and Mn = 730 g•mol–1 molecular weight, in the absence or presence of the titanium tetrabutyloxide (Ti(OBu4 as a catalyst to get multiblock copolyesters. The chemical structure of the synthesized copolyesters was investigated by size exclusion chromatography (SEC and proton Nuclear Magnetic Resonance (1H NMR spectroscopy. Moreover the differential scanning calorimetry (DSC was used to explore their thermal properties. The ester-ester interchange reaction was observed between the two oligopolyesters, was studied and discussed in detail.

  12. Synthesis of Bismuth Ferrite Nanoparticles via a Wet Chemical Route at Low Temperature

    Directory of Open Access Journals (Sweden)

    Yongming Hu

    2011-01-01

    Full Text Available Nanoparticles (NPs of multiferroic bismuth ferrite (BiFeO3 with narrow size distributions were synthesized via a wet chemical route using bismuth nitrate and iron nitrate as starting materials and excess tartaric acid and citric acid as chelating agent, respectively, followed by thermal treatment. It was found that BiFeO3 NPs crystallized at ∼350∘C when using citric acid as chelating agent. Such crystallization temperature is much lower than that of conventional chemical process in which other types of chelating agent are used. BiFeO3 NPs with different sizes distributions show obvious ferromagnetic properties, and the magnetization is increased with reducing the particle size.

  13. Synthesis of Cobalt Oxides Thin Films Fractal Structures by Laser Chemical Vapor Deposition

    Directory of Open Access Journals (Sweden)

    P. Haniam

    2014-01-01

    Full Text Available Thin films of cobalt oxides (CoO and Co3O4 fractal structures have been synthesized by using laser chemical vapor deposition at room temperature and atmospheric pressure. Various factors which affect the density and crystallization of cobalt oxides fractal shapes have been examined. We show that the fractal structures can be described by diffusion-limited aggregation model and discuss a new possibility to control the fractal structures.

  14. Reagents for the chemical development of latent fingerprints: synthesis and properties of some ninhydrin analogues.

    Science.gov (United States)

    Almog, J; Hirshfeld, A; Klug, J T

    1982-10-01

    In an attempt to design new reagents for the chemical development of latent fingerprints, a number of ninhydrin analogues were synthesized and their reactions with latent fingerprints on paper were studied. The ring-fused and substituted ninhydrins developed latent fingerprints with a sensitivity similar to that of ninhydrin. The most promising of the group was 2,2-dihydroxybenz[f]indane-1,3-dione, which developed latent fingerprints as dark green images with excellent resolution.

  15. The effect of chemical additives on the synthesis of ethanol. Technical progress report No. 9, September 16, 1989--December 15, 1989

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.

    1990-04-09

    The objective of this research is to elucidate the role of various chemical additives on ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used for this study will include S, P, Ag, Cu, Mn, and Na which have different electronegativities. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of experimental studies of NO adsorption, reaction probing, study state rate measurement, and transient kinetic study. A better understanding of the role of additive on the synthesis reaction may allow us to use chemical additives to manipulate the catalytic properties of Rh- and Ni-based catalysts for producing high yields of ethanol from syngas.

  16. Potential of bioethanol as a chemical building block for biorefineries: Preliminary sustainability assessment of 12 bioethanol-based products

    NARCIS (Netherlands)

    Posada Duque, J.A.|info:eu-repo/dai/nl/337615993; Patel, A.D.; Roes, A.L.|info:eu-repo/dai/nl/303022388; Blok, K.|info:eu-repo/dai/nl/07170275X; Faaij, A.P.C.|info:eu-repo/dai/nl/10685903X; Patel, M.K.|info:eu-repo/dai/nl/18988097X

    2013-01-01

    The aim of this study is to present and apply a quick screening method and to identify the most promising bioethanol derivatives using an early-stage sustainability assessment method that compares a bioethanol-based conversion route to its respective petrochemical counterpart. The method combines,

  17. Potential of bioethanol as a chemical building block for biorefineries: Preliminary sustainability assessment of 12 bioethanol-based products

    NARCIS (Netherlands)

    Posada Duque, J.A.; Patel, A.D.; Roes, A.L.; Blok, K.; Faaij, A.P.C.; Patel, M.K.

    2013-01-01

    The aim of this study is to present and apply aquick screening method and to identify the most promising bioethanol derivatives using an early- stage sustainability assessment method that compares abioetha- nol-base d conversion route to its respective petrochemical counterpart. The method

  18. Advances in metabolic pathway and strain engineering paving the way for sustainable production of chemical building blocks

    DEFF Research Database (Denmark)

    Chen, Yun; Nielsen, Jens

    2013-01-01

    Bio-based production of chemical building blocks from renewable resources is an attractive alternative to petroleum-based platform chemicals. Metabolic pathway and strain engineering is the key element in constructing robust microbial chemical factories within the constraints of cost effective...... production. Here we discuss how the development of computational algorithms, novel modules and methods, omics-based techniques combined with modeling refinement are enabling reduction in development time and thus advance the field of industrial biotechnology. We further discuss how recent technological...

  19. Synthesis of sulfonated porous carbon nanospheres solid acid by a facile chemical activation route

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Binbin, E-mail: changbinbin806@163.com; Guo, Yanzhen; Yin, Hang; Zhang, Shouren; Yang, Baocheng, E-mail: baochengyang@yahoo.com

    2015-01-15

    Generally, porous carbon nanospheres materials are usually prepared via a template method, which is a multi-steps and high-cost strategy. Here, we reported a porous carbon nanosphere solid acid with high surface area and superior porosity, as well as uniform nanospheical morphology, which prepared by a facile chemical activation with ZnCl{sub 2} using resorcinol-formaldehyde (RF) resins spheres as precursor. The activation of RF resins spheres by ZnCl{sub 2} at 400 °C brought high surface area and large volume, and simultaneously retained numerous oxygen-containing and hydrogen-containing groups due to the relatively low processing temperature. The presence of these functional groups is favorable for the modification of –SO{sub 3}H groups by a followed sulfonation treating with sulphuric acid and organic sulfonic acid. The results of N{sub 2} adsorption–desorption and electron microscopy clearly showed the preservation of porous structure and nanospherical morphology. Infrared spectra certified the variation of surface functional groups after activation and the successful modification of –SO{sub 3}H groups after sulfonation. The acidities of catalysts were estimated by an indirect titration method and the modified amount of –SO{sub 3}H groups were examined by energy dispersive spectra. The results suggested sulfonated porous carbon nanospheres catalysts possessed high acidities and –SO{sub 3}H densities, which endowed their significantly catalytic activities for biodiesel production. Furthermore, their excellent stability and recycling property were also demonstrated by five consecutive cycles. - Graphical abstract: Sulfonated porous carbon nanospheres with high surface area and superior catalytic performance were prepared by a facile chemical activation route. - Highlights: • Porous carbon spheres solid acid prepared by a facile chemical activation. • It owns high surface area, superior porosity and uniform spherical morphology. • It possesses

  20. Synthesis, spectral and chemical reactivity analysis of 2,4-dinitrophenyl hydrazone having pyrrole moiety

    Science.gov (United States)

    Rawat, Poonam; Singh, R. N.

    2015-10-01

    In this paper we present combined experimental and theoretical study on a newly synthesized ethyl 2-cyano-3-[5-(2,4-dinitrophenyl)-hydrazonomethyl)-1H-pyrrol-2-yl]-acrylate (ECDHPA). Quantum chemical calculations have been performed using HF/6-31G(d,p), B3LYP/6-31G(d,p) and B3LYP/6-31++G(d,p) levels. The results obtained from quantum chemical calculations matches well with the experimental finding. Molecular electrostatic potential (MEP) surface of N17sbnd H39⋯O42dbnd N37 zone show green color having moderate electrostatic potential indicating hydrogen bonding. For the interactions N17sbnd H34⋯O42 electron density and its Laplacian (∇2ρBCP) are in the range 0.051-0.119 a.u., indicating interaction follows the Koch and Popelier criteria. The observed Nsbnd H (νN17sbnd H34) stretch of sbnd CHdbnd Nsbnd NH sbnd part of molecule at 3262 cm-1 indicate the red shift and the involvement in hydrogen bonding. Natural bond orbital (NBO) investigation shows various intramolecular interactions within molecule. Electrophilic charge transfer (ECT) has been calculated to investigate the relative electrophilic or nucleophilic behavior of reactant molecules involved in chemical reaction. The first hyperpolarizability (β0) value of ECDHPA is calculated as 22.42 × 10-30 esu. The solvent-induced effects on the non-linear optical properties (NLO) were studied using self-consistent reaction field (SCRF) method and observed that the β0 value increases as solvent polarity increases. DFT based electronic descriptors analysis reveals that studied molecule is a strong electrophile and it would undergo to form various heterocyclic compounds.

  1. Amino Acids from Icy Amines: A Radiation-Chemical Approach to Extraterrestrial Synthesis

    Science.gov (United States)

    Dworkin, J. P.; Moore, M. H.

    2010-01-01

    Detections of amino acids in meteorites go back several decades, with at least 100 such compounds being reported for the Murchison meteorite alone. The presence of these extraterrestrial molecules raises questions as to their formation, abundance, thermal stability, racemization, and possible subsequent reactions. Although all of these topics have been studied in laboratories, such work often involves many variables and unknowns. This has led us to seek out model systems with which to uncover reaction products, test chemical predictions, and sited light on underlying reaction mechanisms. This presentation will describe one such study, focusing on amino-acid formation in ices.

  2. Synthesis and Characterization of Graphene Thin Films by Chemical Reduction of Exfoliated and Intercalated Graphite Oxide

    Directory of Open Access Journals (Sweden)

    F. T. Thema

    2013-01-01

    Full Text Available Commercial flakes of graphite were prepared into functionalized graphene oxide (GO by chemical treatment. After the exfoliation and intercalation of graphene into functionalized graphene oxide that formed stable colloidal dispersion in polar aprotic solvent, the reduction process was undertaken by continuous stirring with hydrazine hydrate. The reduced material was characterized by X-ray diffraction (XRD, attenuated total reflectance (ATR FT-IR, ultraviolet visible (UV-vis, atomic force microscopy (AFM and Raman spectroscopy which confirm the oxidation of graphite and reduction of graphene oxide into graphene sheet.

  3. Controlled chemical and morphological surface modifications via pulsed plasma polymerizations: Synthesis of ultrahydrophobic surfaces

    Science.gov (United States)

    Qiu, Haibo

    The RF plasma polymerization of saturated linear and cyclic perfluoroalkane monomers and vinyl acetic acid were studied in this dissertation. Film chemical compositions, deposition rates, surface wettabilities and morphologies were characterized as functions of various plasma processing conditions. Large progressive changes in chemical compositions with sequential variations in plasma duty cycle were demonstrated in polymerization of both perfluoroalkane and vinyl acetic acid monomers. As anticipated, polymer films obtained from the perfluorocarbon monomers exhibited a general trend towards more linear structures with decreasing plasma duty cycles. However, completely unexpectedly, ultrahydrophobic films were obtained from some of these monomers under restricted duty cycle and power input conditions. SEM and XPS characterizations revealed that a rough, fibrous-like surface morphology is responsible for this ultrahydrophobicity, as opposed to unusual chemical compositions. The growth of the fibrous surface is believed to arise from nucleation and hillock-like growth patterns on selectively activated sites of the growing polymer film. Surface mobility of plasma generated reactive species apparently plays an important role in the growth of the fibrous ultrahydrophobic surfaces, as shown by substrate temperature studies. Additionally, the present study revealed a number of interesting new observations of significant differences in the chemical compositions and deposition rates of polymer films obtained from the diverse range of perfluorocarbon monomers employed in this work. The ultrahydrophobic fluorocarbon films discovered in this investigation were evaluated for use in several biomaterial applications. The results obtained show excellent marine antifouling properties for these surfaces, as documented in ocean testing experiments. These surfaces have also been shown to be useful in controlling protein and peptide surface adsorptions, as well as in the inflammatory

  4. New Thiophene Monolayer-Protected Copper Nanoparticles: Synthesis and Chemical-Physical Characterization

    Directory of Open Access Journals (Sweden)

    Elisabetta Foresti

    2008-01-01

    Full Text Available For the first time copper 3-(6-mercaptohexylthiophene-protected nanoparticles (Cu T6SH have been synthesized by a one-phase system, utilizing an NaBH4/LiCl mixture in diglyme as the reducing reagent and avoiding water medium dissolving copper salts. The prepared nanoclusters, characterized by transmission electron microscopy (TEM, have shown a constant spherical morphology with a size dimension of 5-6 nm in diameter. After their synthesis, no morphological evolution and irreversible aggregation process has been observed after a storage in CH2Cl2 at low temperature for a period up to six months long. Cu T6SH nanoparticles have been investigated by UV-Visible (UV-Vis and Fourier transmission infrared (FTIR spectroscopes to characterize the alkylthiophenes monolayer conformations and the particles optoelectronic properties. The UV-Vis reveals the lack of the surface plasmonic band, previously observed in Cu-nanosized clusters at about 556–570 nm, and shows a wide-band centered at 293 nm, probably due to the high-conformational surface ordering of thiophene rings on the Cu core. The results highlight the importance of the modifications ported to the well-known one-phase synthetic reactions to obtain a clear lack, even after a storage of six months, of any irreversible aggregation that has always characterized chain thiophene-protected metallic nanoparticles.

  5. Physico-chemical studies on synthesis, characterization, and magnetic properties of Li-Ca-Zn nanoferrites

    Energy Technology Data Exchange (ETDEWEB)

    Randhawa, B. S., E-mail: balwinderrandhawa@gmail.com; Singh, Jashanpreet [Guru Nanak Dev University, Department of Chemistry, Centre of Advanced Studies (India)

    2013-01-15

    The synthesis of Li{sub 0.25}Ca{sub 0.5-X}Zn{sub X}Fe{sub 2.25}O{sub 4} (LCZ) spinel nanoferrites by the solution combustion method using oxalyl-dihydrazide as a fuel leads to the formation of fine nanoparticles. Structural studies such as X-ray diffraction and transmission electron microscope confirm the formation of single phase spinel with particle size in the range 26-43 nm while Moessbauer data under the shadow of magnetic studies attribute to the superparamagnetic nature of the ferrites obtained, resulting from the transition of ferrimagnetic to superparamagnetic phase. In addition, the magnetic studies reveal an initial increase in the saturation magnetization (M{sub S}) from 33.5 emu/g for X = 0-41.4 emu/g (X = 0.3) followed by a gradual decrease to 32.8 emu/g (X = 0.5) as the concentration of zinc increases while Curie temperature lies in the range 312-527 Degree-Sign C for the same series. Keeping in view the various properties of the nanoferrites formed, variation of dielectric constant has also been carried out with both frequency (20 Hz-1 MHz) and temperature (up to 500 Degree-Sign C). We believe that the synthesized LCZ nanoferrites can be suitable for their application in nanomagnetic and nanoelectronic devices for drug delivery and bioencapsulating systems.

  6. Effect of different precursors in the chemical synthesis of ZnO nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Gusatti, M.; Barroso, G.S.; Souza, D.A.R.; Rosario, J.A.; Lima, R.B.; Silva, L.A.; Riella, H.G.; Kuhnen, N.C. [Universidade Federal de Santa Catarina (DEQA/UFSC), Florianopolis, SC (Brazil). Dept. de Engenharia Quimica e de Alimentos; Campos, C.E.M. [Universidade Federal de Santa Catarina (DF/UFSC), Florianopolis, SC (Brazil). Dept. de Fisica

    2010-07-01

    This work aims to evaluate the effect of ZnCl{sub 2} and Zn(NO{sub 3}){sub 2}.6H{sub 2}O precursors in the synthesis of ZnO nanocrystals. The materials were obtained at a temperature of 90 deg C by a simple solochemical route. The resulting samples were characterized with respect to the determination of the formed phases, particle size and morphology, using the techniques of X-ray diffraction (XRD) and transmission electron microscopy (TEM). These characterization techniques confirmed that the sample obtained with Zn(NO{sub 3}){sub 2.}6H{sub 2}O has hexagonal crystal structure of ZnO and dimensions in the nanoscale. However, the material formed with ZnCl{sub 2} was composed of a mixture of the ZnO phase and another correspondent to the Zn{sub 5}(OH){sub 8}Cl{sub 2}.H{sub 2}O phase. For both precursors, the predominant morphology of the obtained ZnO nanocrystals is rod- like structure.(author)

  7. Synthesis of reduced graphene oxide (rGO) via chemical reduction

    Energy Technology Data Exchange (ETDEWEB)

    Thakur, Alpana, E-mail: alpanarangoli@gmail.com; Rangra, V. S. [Department of Physics, Himachal Pradesh University, Shimla (India); Kumar, Sunil [Department of Applied Sciences, Sri Sai University, Palampur (India)

    2015-05-15

    Natural flake Graphite was used as the starting material for the graphene synthesis. In the first step flake graphite was treated with oxidizing agents under vigorous conditions to obtain graphite oxide. Layered graphite oxide decorated with oxygen has large inter-layer distance leading easy exfoliation into single sheets by ultrasonication giving graphene oxide. In the last step exfoliated graphene oxide sheets were reduced slowly with the help of reducing agent to obtain fine powder which is labeled as reduced graphene oxide (rGO). This rGO was further characterized by X-Ray Diffraction (XRD), Scanning Tunneling Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR), Raman Spectroscopy techniques. XRD pattern shows peaks corresponding to (002) graphitic lattice planes indicating the formation of network of sp{sup 2} like carbon structure. SEM images show the ultrathin, wrinkled, paper-like morphology of graphene sheets. IR study shows that the graphite has been oxidized to graphite oxide with the presence of various absorption bands confirming the presence of oxidizing groups. The FTIR spectrum of rGO shows no sharp peaks confirming the efficient reduction of rGO. The Raman spectrum shows disorder in the graphene sheets.

  8. Advances in metabolic pathway and strain engineering paving the way for sustainable production of chemical building blocks.

    Science.gov (United States)

    Chen, Yun; Nielsen, Jens

    2013-12-01

    Bio-based production of chemical building blocks from renewable resources is an attractive alternative to petroleum-based platform chemicals. Metabolic pathway and strain engineering is the key element in constructing robust microbial chemical factories within the constraints of cost effective production. Here we discuss how the development of computational algorithms, novel modules and methods, omics-based techniques combined with modeling refinement are enabling reduction in development time and thus advance the field of industrial biotechnology. We further discuss how recent technological developments contribute to the development of novel cell factories for the production of the building block chemicals: adipic acid, succinic acid and 3-hydroxypropionic acid. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. An overview on emerging bioelectrochemical systems (BESs): Technology for sustainable electricity, waste remediation, resource recovery, chemical production and beyond

    NARCIS (Netherlands)

    Bajracharya, S.; Sharma, M.; Mohanakrishna, Gunda; Benneton, Xochitl Dominguez; Strik, D.P.B.T.B.; Sarma, Priyangshu M.; Pant, Deepak

    2016-01-01

    Bioelectrochemical systems (BESs) are unique systems capable of converting chemical energy into electrical energy (and vice-versa) while employing microbes as catalysts. Such organic wastes including low-strength wastewaters and lignocellulosic biomass were converted into electricity with microbial

  10. Combining Sustainable Synthesis of a Versatile Ruthenium Dihydride Complex with Structure Determination Using Group Theory and Spectroscopy

    Science.gov (United States)

    Armstrong, Christopher; Burnham, Jennifer A. J.; Warminski, Edward E.

    2017-01-01

    A good-yielding two-step synthesis of RuH[subscript 2](CO)(PPh[subscript 3])[subscript 3] using conventional or microwave-assisted reflux techniques is described for use in undergraduate teaching laboratories. RuH[subscript 2](CO)(PPh[subscript 3])[subscript 3] is synthesized from RuCl[subscript 3]·xH[subscript 2]O, PPh[subscript 3], and KOH in…

  11. Green chemical incorporation of sulphate into polyoxoanions of ...

    Indian Academy of Sciences (India)

    forefront of development of clean production process and products (Sanghi and Srivastava 2007). 'Green chemistry' is a science-based non-regulatory and economically driven approach for achieving the goals of environmental protec- tion and sustainable development. In order to be eco-friendly, green chemical synthesis ...

  12. Synthesis and characterization of cadmium hydroxide nano-nest by chemical route

    Science.gov (United States)

    Salunkhe, R. R.; Patil, U. M.; Gujar, T. P.; Lokhande, C. D.

    2009-01-01

    A facile chemical route based on room temperature chemical bath deposition (CBD) was developed to deposit the Cd(OH) 2 nano-nest. The growth mechanism follows two-stage crystallization with initial growth of nucleation centers, followed by subsequent anisotropic growth. The nano-nest morphological evolution of Cd(OH) 2 on different substrates has been carried out. These films have been characterized by the techniques; such as X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), optical absorption, contact angle measurement and thermoelectric power (TEP) measurements. The X-ray diffraction study revealed that the as deposited film consists of cadmium hydroxide (Cd(OH) 2) phase. The nano-nest consisted of wires with nearly uniform in dimensions, with diameter around 30 nm and length of few microns. As-deposited Cd(OH) 2 film used in this study showed water contact angle of 66°. The optical bandgap was found to be 3.2 eV, with n-type electrical conductivity as confirmed from thermo-emf measurements.

  13. Synthesis of iron oxide nanorods via chemical scavenging and phase transformations of intermediates at ambient conditions

    Energy Technology Data Exchange (ETDEWEB)

    Deshmukh, Ruchi; Mehra, Anurag; Thaokar, Rochish, E-mail: rochish@che.iitb.ac.in [Indian Institute of Technology-Bombay, Department of Chemical Engineering (India)

    2017-01-15

    Chemically induced shape transformations of isotropic seeds, comprised of iron oxyhydroxides and iron oxide borate into nanorods, is reported. Transient growth studies show that the nanorods are formed via phase transformation and aggregation of various metastable species. Addition of tetra-methyl-ammonium hydroxide (TMAH) to the in situ synthesized seeds ensures a typical reaction pathway that favors formation of magnetite (Fe {sub 3}O{sub 4}) via the steps of chemical etching, phase transformation of intermediates, and crystal consolidation. Whereas, with addition of sodium hydroxide (NaOH), either magnetite (Fe {sub 3}O{sub 4}) or a mixture of (γ-Fe {sub 2}O{sub 3} + α-FeOOH) is obtained. The shape with both the additives is always that of nanorods. When the seeds treated with TMAH were aged in an ultrasonication bath, rods with almost twice the length and diameter (length = 2800 nm, diameter = 345 nm) are obtained as compared to the sample aged without ultrasonication (length = 1535 nm, diameter = 172 nm). The morphology of nanostructures depending upon other experimental conditions such as, aging the sample at 60 {sup ∘}C, seeds synthesized under ultrasonication/ stirring or externally added are also examined and discussed in detail. All the samples show high coercivity and strong ferromagnetic behavior at room temperature and should be promising candidates as ferro-fluids for various applications.

  14. Facile Synthesis of Mono-Dispersed Polystyrene (PS/Ag Composite Microspheres via Modified Chemical Reduction

    Directory of Open Access Journals (Sweden)

    Wen Zhu

    2013-12-01

    Full Text Available A modified method based on in situ chemical reduction was developed to prepare mono-dispersed polystyrene/silver (PS/Ag composite microspheres. In this approach; mono-dispersed PS microspheres were synthesized through dispersion polymerization using poly-vinylpyrrolidone (PVP as a dispersant at first. Then, poly-dopamine (PDA was fabricated to functionally modify the surfaces of PS microspheres. With the addition of [Ag(NH32]+ to the PS dispersion, [Ag(NH32]+ complex ions were absorbed and reduced to silver nanoparticles on the surfaces of PS-PDA microspheres to form PS/Ag composite microspheres. PVP acted both as a solvent of the metallic precursor and as a reducing agent. PDA also acted both as a chemical protocol to immobilize the silver nanoparticles at the PS surface and as a reducing agent. Therefore, no additional reducing agents were needed. The resulting composite microspheres were characterized by TEM, field emission scanning electron microscopy (FESEM, energy-dispersive X-ray spectroscopy (EDS, XRD, UV-Vis and surface-enhanced Raman spectroscopy (SERS. The results showed that Ag nanoparticles (NPs were homogeneously immobilized onto the PS microspheres’ surface in the presence of PDA and PVP. PS/Ag composite microspheres were well formed with a uniform and compact shell layer and were adjustable in terms of their optical property.

  15. Synthesis of CuS nanoparticles by a wet chemical route and their photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Mou; Mathews, N. R. [Universidad Nacional Autónoma de México, Instituto de Energías Renovables (Mexico); Sanchez-Mora, E.; Pal, U. [Instituto de Física, BUAP (Mexico); Paraguay-Delgado, F. [Centro de Investigación en Materiales Avanzados (CIMAV), Departamento de Materiales Nanoestructurados (Mexico); Mathew, X., E-mail: xm@ier.unam.mx [Universidad Nacional Autónoma de México, Instituto de Energías Renovables (Mexico)

    2015-07-15

    CuS nanoparticles (NPs) of few nanometers in size were prepared by a wet chemical method. The structural, compositional, and optical properties of the NPs were characterized by X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, micro Raman and Fourier transform infrared spectroscopy, N{sub 2} adsorption–desorption isotherms, and UV–Vis diffuse reflectance spectroscopy. The XRD pattern proved the presence of hexagonal phase of CuS particles which was further supported by Raman spectrum. The estimated band gap energy of 2.05 eV for the slightly sulfur-rich CuS NPs is relatively larger than that of bulk CuS (1.85 eV), indicating the small size effect. As-prepared NPs showed excellent photocatalytic activity for the degradation of methylene blue (MB) under visible light. The surface-bound OH{sup −} ions at the CuS nanostructures help adsorb MB molecules facilitating their degradation process under visible light illumination. The studies presented in this paper suggest that the synthesized CuS NPs are promising, efficient, stable, and visible-light-sensitive photocatalyst for the remediation of wastewater polluted by chemically stable azo dyes such as MB.

  16. Synthesis and investigation of physico-chemical, antibacterial, biomymetic properties of silver and zinc containing hydroxyapatite

    Science.gov (United States)

    Zhuk, Ilya; Rasskazova, Lyudmila; Korotchenko, Natalia; Kozik, Vladimir; Kurzina, Irina

    2017-11-01

    In the work we carried out microwave synthesis of modified hydroxyapatites (HA) with different content of ions. A solid solution based on HA remains a single-phase sample when the calcium ions are substituted by silver and zinc ions up to 5 % by weight (0.5 mole fraction). The microstructure parameters, morphology and the particle powders size were studied by X-ray diffraction analysis, IR spectroscopy, and scanning electron microscopy (SEM). It is shown that the modification of HA by silver (AgHA) and zinc (ZnHA) ions increases the size of its particles, the degree of crystallinity, and the pore sizes of the samples while reducing their specific surface and uniformity of their forms. Elemental analysis and distribution of elements over the surface of HA, AgHA, and ZnHA powders were performed by X-ray spectral microanalysis (RSMA). The ratio of Ca/P is within the range of 1.66-1.77 and corresponds to the ratio of Ca/P in stoichiometric HA and the HA entering bone tissue. The ability of AgHA- and ZnHA-substrates to form on their surface a calcium-phosphate layer from the simulated body fluid (SBF) at 37 °C is determined. This ability decreases in the order: in ZnHA it is less than in AgHA, but greater than in HA. The antibacterial activity of the samples was analyzed. The AgHA sample has both bactericidal and persistent bacteriostatic properties in the case of direct contact with Escherichia coli cells.

  17. The synthesis and characterization of W- 1wt. % TiC alloy using a chemical method

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Tae Hee; Ryu, Ho Jin [KAIST, Daejeon (Korea, Republic of)

    2016-05-15

    Many studies have demonstrated the dispersed second phase nanoparticles in the tungsten matrix inhibit the grain growth and recrystallization, besides they improve the ductility and the irradiation resistance by hindering grain boundary sliding and stabilizing the microstructure.7 La{sub 2}O{sub 3}, Y{sub 2}O{sub 3}, TiC or ZrC particles are usually added to tungsten. However, some crucial issues should be solved such as the uniform distribution of these second phase particles and the industrial mass production. By using typical mechanical alloying and powder metallurgy, nanoparticles tend to be agglomerated and concentrated at the grain boundaries due to the high surface energies introduced. Moreover, the milling process often produces detrimental phase by the wear of the milling equipment and media. Xia et al. have firstly reported core-shell structured W/TiC using ammonium metatungstate ((NH{sub 4}){sub 6}W{sub 7}O{sub 24}·XH{sub 2}O, AMT) and hydrochloric acid. Nano-sized TiC particles are coated uniformly by AMT precipitation formed by the addition of hydrochloric acid to the AMT solution. The core-shell structure particles were examined by TEM. To achieve uniform distribution of TiC nanoparticles, a wet chemical method is essential rather than typical mechanical alloying. Also, the use of the chemical method of alloying can be easily applied to the industry with cost-effective and environmental benefits. The purpose of this study is to achieve uniform distribution of TiC nano-particles within the tungsten matrix, as the literature has studied. Moreover, the chemical methods could be applied to other refectory metals such as molybdenum. The obtained powder was reduced and sintered using SPS technique. The relative density of sintered sample achieved was 97%. Furthermore, the microstructure of the sintered sample was analyzed using FE-SEM and the presence of TiC particles at the grain boundary and grain interior was confirmed by EDS.

  18. Low temperature synthesis of nanocrystalline lanthanum monoaluminate powders by chemical coprecipitation

    Energy Technology Data Exchange (ETDEWEB)

    Kuo, C.-L. [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Wang, C.-L. [Department of Materials Science and Engineering, I-Shou University, 1 Section 1, Hsueh-Cheng Road, Ta-Hsu Hsiang, Kaohsiung 840, Taiwan (China); Chen, T.-Y. [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China); Chen, G.-J. [Department of Materials Science and Engineering, I-Shou University, 1 Section 1, Hsueh-Cheng Road, Ta-Hsu Hsiang, Kaohsiung 840, Taiwan (China); Hung, I-M. [Department of Chemical Engineering and Materials Science, Yuan Ze University, 135 Yuan-Tung Road, Chungli, Taoyuan 320, Taiwan (China); Shih, C.-J. [Faculty of Fragrance and Cosmetics, Kaohsiung Medical University, 100 Shi-Chuan 1st Road, Kaohsiung 807, Taiwan (China)]. E-mail: CJShih@kmu.edu.tw; Fung, K.-Z. [Department of Materials Science and Engineering, National Cheng Kung University, 1 Ta-Hsueh Road, Tainan 70101, Taiwan (China)

    2007-08-16

    Nanocrystalline lanthanum monoaluminate (LaAlO{sub 3}) powders were prepared by chemical coprecipitation using 25 vol.% of NH{sub 4}OH, 0.05 M La(NO{sub 3}){sub 3}.6H{sub 2}O and 0.05 M Al(NO{sub 3}){sub 3}.9H{sub 2}O aqueous solutions as the starting materials. Fourier transform infrared spectroscopy (FT-IR), thermogravimetric and differential thermal analyses (TGA/DTA), X-ray diffraction (XRD), Raman spectrometry, specific surface area (BET) analysis, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron diffraction (ED) were utilized to characterize the LaAlO{sub 3} powders prepared by chemical coprecipitation. The crystallization temperature of the LaAlO{sub 3} precursor gels precipitated at pH 9 is estimated as 810 deg. C by TG/DTA. The XRD pattern of the LaAlO{sub 3} precursor gels precipitated at pH 8-12 and calcined at 700 deg. C for 6 h shows a broad arciform continuum exist between 24{sup o} and 32{sup o} and sharp peaks of LaAlO{sub 3} except the precursor gels precipitated at pH 9. For the LaAlO{sub 3} precursor gels precipitated at pH 9 and calcined at 700 deg. C for 6 h, the formation of the perovskite LaAlO{sub 3} phase occurs and the presence of crystalline impurities is not found. The crystallite size of LaAlO{sub 3} slightly increases from 37.8 to 41.5 nm with calcination temperature increasing from 700 to 900 deg. C for 6 h. The LaAlO{sub 3} powders prepared by chemical coprecipitation have a considerably large specific surface of 30 m{sup 2}/g. The relative density greater than 97% is obtained when these nanocrystalline LaAlO{sub 3} powders are sintered at 1550 deg. C for 2 h.

  19. Protein Synthesis Inhibitors Did Not Interfere with Long-Term Depression Induced either Electrically in Juvenile Rats or Chemically in Middle-Aged Rats.

    Directory of Open Access Journals (Sweden)

    Abdul-Karim Abbas

    Full Text Available In testing the hypothesis that long-term potentiation (LTP maintenance depends on triggered protein synthesis, we found no effect of protein synthesis inhibitors (PSIs on LTP stabilization. Similarly, some studies reported a lack of effect of PSIs on long-term depression (LTD; the lack of effect on LTD has been suggested to be resulting from the short time recordings. If this proposal were true, LTD might exhibit sensitivity to PSIs when the recording intervals were enough long. We firstly induced LTD by a standard protocol involving low frequency stimulation, which is suitable for eliciting NMDAR-LTD in CA1 area of hippocampal slices obtained from juvenile Sprague-Dawley rats. This LTD was persistent for intervals in range of 8-10 h. Treating slices with anisomycin, however, did not interfere with the magnitude and persistence of this form of LTD. The failure of anisomycin to block synaptic-LTD might be relied on the age of animal, the type of protein synthesis inhibitors and/or the inducing protocol. To verify whether those variables altogether were determinant, NMDA or DHPG was used to chemically elicit LTD recorded up to 10 h on hippocampal slices obtained from middle-aged rats. In either form of LTD, cycloheximide did not interfere with LTD stabilization. Furthermore, DHPG application did show an increase in the global protein synthesis as assayed by radiolabeled methodology indicating that though triggered protein synthesis can occur but not necessarily required for LTD expression. The findings confirm that stabilized LTD in either juvenile, or middle-aged rats can be independent of triggered protein synthesis. Although the processes responsible for the independence of LTD stabilization on the triggered protein synthesis are not yet defined, these findings raise the possibility that de novo protein synthesis is not universally necessary.

  20. Chemical Synthesis of Oligosaccharides related to the Cell Walls of Plants and Algae

    DEFF Research Database (Denmark)

    Kinnaert, Christine; Daugaard, Mathilde; Nami, Faranak

    2017-01-01

    Plant cell walls are composed of an intricate network of polysaccharides and proteins that varies during the developmental stages of the cell. This makes it very challenging to address the functions of individual wall components in cells, especially for highly complex glycans. Fortunately...... in good quantities and with high purity. This review contains an overview of those plant and algal polysaccharides, which have been elucidated to date. The majority of the content is devoted to detailed summaries of the chemical syntheses of oligosaccharide fragments of cellulose, hemicellulose, pectin......, and arabinogalactans, as well as glycans unique to algae. Representative synthetic routes within each class are discussed in detail and the progress in carbohydrate chemistry over recent decades is highlighted....

  1. Synthesis of ubiquitylated histone H3 using a thiirane linker for chemical ligation.

    Science.gov (United States)

    Kawakami, Toru; Mishima, Yuichi; Hojo, Hironobu; Suetake, Isao

    2017-07-01

    Post-translational modifications of histone proteins, which form nucleosome cores, play an important role in gene regulation. Ubiquitin modification is one such modification. We previously reported on the use of a thiirane linker to introduce a 1,2-aminothiol moiety at a cysteine residue for native chemical ligation with peptide thioesters, which permitted isopeptide mimetics to be produced. In this report, we describe the preparation of the ubiquitylated full length histone H3 at the 18 position and the construction of tetranucleosomes with recombinant histones H2A, H2B, H4, and DNA, which are slightly more stable than those that are prepared without ubiquitin modification. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd. Copyright © 2017 European Peptide Society and John Wiley & Sons, Ltd.

  2. Wet Chemical Controllable Synthesis of Hematite Ellipsoids with Structurally Enhanced Visible Light Property

    Directory of Open Access Journals (Sweden)

    Chengliang Han

    2013-01-01

    Full Text Available A facile and economic route has been presented for mass production of micro/nanostructured hematite microcrystals based on the wet chemical controllable method. The as-prepared samples were characterized using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and UV-Vis absorption spectroscopy. The results showed that the product was mesoporous α-Fe2O3 and nearly elliptical in shape. Each hematite ellipsoid was packed by many α-Fe2O3 nanoparticles. The values of vapor pressure in reaction systems played vital roles in the formation of porous hematite ellipsoids. Optical tests demonstrated that the micro/nanostructured elliptical hematite exhibited enhanced visible light property at room temperature. The formation of these porous hematite ellipsoids could be attributed to the vapor pressure induced oriented assembling of lots of α-Fe2O3 nanoparticles.

  3. Synthesis, characterization and computational chemical study of novel pyrazole derivatives as anticorrosion and antiscalant agents

    Science.gov (United States)

    El-Taib Heakal, F.; Attia, S. K.; Rizk, S. A.; Abou Essa, M. A.; Elkholy, A. E.

    2017-11-01

    Metals corrosion and scales deposition are two serious problems of heavy burden in most industries. Both problems can be mitigated by adding special chemicals capable of being adsorbed on metallic surfaces as well as on scale growing crystal surfaces. Efficient materials should be rich in functional groups containing heteroatoms and/or π bonds for supporting their adsorbability on surfaces. In the present work, four novel pyrazole derivatives were synthesized and characterized for their structures using elemental analysis and spectroscopic tools. The tested compounds were fabricated by treating 2,3-diaryloxirane-2,3-dicarbonitriles with different nitrogen nucleophiles. The density functional theory (DFT) was then applied to explore the structural and electronic characteristics of these materials. Molecular dynamics simulation was also run to scrutinize the ability of the prepared compounds to act as corrosion inhibitors and antiscalant agents by adsorbing on Fe and CaSO4 surfaces.

  4. Wet chemical controllable synthesis of hematite ellipsoids with structurally enhanced visible light property.

    Science.gov (United States)

    Han, Chengliang; Han, Jie; Li, Qiankun; Xie, Jingsong

    2013-01-01

    A facile and economic route has been presented for mass production of micro/nanostructured hematite microcrystals based on the wet chemical controllable method. The as-prepared samples were characterized using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and UV-Vis absorption spectroscopy. The results showed that the product was mesoporous α -Fe2O3 and nearly elliptical in shape. Each hematite ellipsoid was packed by many α -Fe2O3 nanoparticles. The values of vapor pressure in reaction systems played vital roles in the formation of porous hematite ellipsoids. Optical tests demonstrated that the micro/nanostructured elliptical hematite exhibited enhanced visible light property at room temperature. The formation of these porous hematite ellipsoids could be attributed to the vapor pressure induced oriented assembling of lots of α -Fe2O3 nanoparticles.

  5. Synthesis of boron nitride nanotubes by Argon supported Thermal Chemical Vapor Deposition

    Science.gov (United States)

    Ahmad, Pervaiz; Khandaker, Mayeen Uddin; Amin, Yusoff Mohd

    2015-03-01

    Thermal Chemical Vapor Deposition technique is modified with the use of Argon gas flow inside the chamber as an alternative for vacuum and orientation of one end closed quartz test tube. The use of Argon gas not only simplified the experimental set up, but also made it ~ 18 % cost effective compared to the conventional set up. Field Emission Scanning Electron Microscopy micrographs show straight and long BNNTs along with some cotton like morphologies. Transmission electron microscopy revealed bamboo like structure inside the tube and ~0.34 nm interlayer spacing for highly crystalline nature of boron nitride nanotubes. X-ray photon spectroscopy shows B 1s peak at 191.08 eV and N 1s peak at 398.78 eV that represents h-BN. Whereas, Raman spectrum indicates a major peak at ~1379.60 (cm-1) that correspond to E2g mode of h-BN.

  6. The chemical synthesis of DNA/RNA: our gift to science.

    Science.gov (United States)

    Caruthers, Marvin H

    2013-01-11

    It is a great privilege to contribute to the Reflections essays. In my particular case, this essay has allowed me to weave some of my major scientific contributions into a tapestry held together by what I have learned from three colleagues (Robert Letsinger, Gobind Khorana, and George Rathmann) who molded my career at every important junction. To these individuals, I remain eternally grateful, as they always led by example and showed many of us how to break new ground in both science and biotechnology. Relative to my scientific career, I have focused primarily on two related areas. The first is methodologies we developed for chemically synthesizing DNA and RNA. Synthetic DNA and RNA continue to be an essential research tool for biologists, biochemists, and molecular biologists. The second is developing new approaches for solving important biological problems using synthetic DNA, RNA, and their analogs.

  7. Synthesis of Cu-coated Graphite Powders Using a Chemical Reaction Process

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Jun-Ho; Park, Hyun-Kuk; Oh, Ik-Hyun [Korea Institute of Industrial Technology (KITECH), Gwangju (Korea, Republic of); Lim, Jae-Won [Chonbuk National University, Jeonju (Korea, Republic of)

    2017-05-15

    In this paper, Cu-coated graphite powders for a low thermal expansion coefficient and a high thermal conductivity are fabricated using a chemical reaction process. The Cu particles adhere to the irregular graphite powders and they homogeneously disperse in the graphite matrix. Cu-coated graphite powders are coarser at approximately 3-4 μm than the initial graphite powders; furthermore, their XRD patterns exhibit a low intensity in the oxide peak with low Zn powder content. For the passivation powders, the transposition solvent content has low values, and the XRD pattern of the oxide peaks is almost non-existent, but the high transposition solvent content does not exhibit a difference to the non-passivation treated powders.

  8. Effect of cooling condition on chemical vapor deposition synthesis of graphene on copper catalyst.

    Science.gov (United States)

    Choi, Dong Soo; Kim, Keun Soo; Kim, Hyeongkeun; Kim, Yena; Kim, TaeYoung; Rhy, Se-hyun; Yang, Cheol-Min; Yoon, Dae Ho; Yang, Woo Seok

    2014-11-26

    Here, we show that chemical vapor deposition growth of graphene on copper foil is strongly affected by the cooling conditions. Variation of cooling conditions such as cooling rate and hydrocarbon concentration in the cooling step has yielded graphene islands with different sizes, density of nuclei, and growth rates. The nucleation site density on Cu substrate is greatly reduced when the fast cooling condition was applied, while continuing methane flow during the cooling step also influences the nucleation and growth rate. Raman spectra indicate that the graphene synthesized under fast cooling condition and methane flow on cool-down exhibit superior quality of graphene. Further studies suggest that careful control of the cooling rate and CH4 gas flow on the cooling step yield a high quality of graphene.

  9. The Synthesis and Characterization of W- 1wt.% TiC Alloy Using a Chemical Method

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Taehee; Ryu, Ho Jin [KAIST, Daejeon (Korea, Republic of)

    2016-10-15

    The tungsten and its alloys have been used in many applications due to their excellent mechanical and thermal properties such as high melting point, high thermal conductivity, high strength at elevated temperatures, low sputtering yield in radiation environment and low tritium inventory. Moreover, many researchers consider tungsten alloys as the most promising candidate for plasma facing components for future nuclear fusion reactors. Three samples of W – 1.0 wt.% TiC composites with the different fabrication methods were successfully developed. The combined method of the wet chemical method and 3D mixing showed small amount of agglomeration of TiC particles, however, the TiC particle sizes were smaller than 3DM1 sample. Since the WCM1 showed the better mechanical property, microhardness, the main future plan is to achieve the same or improved mechanical property of W3D1.

  10. Chemical Precipitation Synthesis of Ferric Chloride Doped Zinc Sulphide Nanoparticles and Their Characterization Studies

    CERN Document Server

    Theivasanthi, T; Alagar, M; 10.7598/cst2013.207

    2013-01-01

    Nanoparticles of Ferric Chloride doped ZnS has been synthesized by simple chemical precipitation method and characterized by XRD, SEM, UV-Vis analysis, Differential Thermal Analysis, Thermo Gravimetric Analysis and Differential Scanning Calorimetry. XRD patterns of the samples reveal particle size, specific surface area and the formation of cubic structure. The SEM images show that the cauliflower likes structure. Optical band gap values have been obtained from UV-Vis absorption spectra. It has also been found that energy band gap (Eg) increases with the increase in molar concentration of reactant solution. Thermal analysis measurement of the prepared sample shows that the thermal stability of pure ZnS is decreased due to increase in Ferric Chloride concentration. Undoped ZnS is more thermal stable when compared to FeCl3 doped ZnS.

  11. Wet Chemical Synthesis of SnS/Graphene Nanocomposites for High Performance Supercapacitor Electrodes

    Science.gov (United States)

    Ravuri, Syamsai; Pandey, Chandan Abhishek; Ramchandran, R.; Jeon, Soon Kwan; Grace, Andrews Nirmala

    A series of SnS/Graphene (SnS/G) nanocomposites at various concentrations of graphene were synthesized by a wet chemical route and the prepared composites were analyzed by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), High Resolution Transmission Electron Microscopy (HRTEM) for its structural and morphological investigation. Results show that the prepared SnS nanoparticles in the composite are ˜30nm sized and uniformly dispersed on graphene sheets. To test the supercapacitance behavior, electrochemical measurements were carried out in 6M KOH electrolyte. A maximum specific capacitance of 984F/g was observed for SnS/G-c at 5mVs‑1 scan rate. Galvanostatic charge/discharge curves showed an excellent cyclic stability with higher charge/discharge duration, and hence could be used for high performance supercapacitor applications.

  12. Enzymatic Synthesis and Chemical Recycling of Novel Polyester-Type Thermoplastic Elastomers

    Directory of Open Access Journals (Sweden)

    Tsukuru Yagihara

    2012-06-01

    Full Text Available Novel polyester-type thermoplastic elastomers based on poly(alkylene succinates were synthesized by the lipase-catalyzed copolymerization of cyclic diol/succinate oligomer and cyclic diol/alkylthiosuccinate oligomer. These copolymers exhibited biodegradabilities by activated sludge and a wide range of thermal and mechanical properties that were dependent on the molecular structure and the content of side alkylthio groups. The degree of crystallinity of the copolymer decreased with increasing content of alkylthio groups, which were introduced into the polymer chain as a soft segment. Furthermore, lipase-catalyzed depolymerization of these copolymers into cyclic oligomers and repolymerization of the oligomers was carried out. A repolymerized copolymer having the same Mw and monomer composition as the initial copolymer was obtained, indicating the chemical recyclability of the copolymer.

  13. Macroscopic Synthesis of Vertically Aligned Carbon Nanotubes Using Floating Catalyst Chemical Vapor Deposition Method

    Science.gov (United States)

    Mirbagheri, S. Ahmad; Kazemzadeh, Asghar; Abedin Maghanaki, Amir

    2012-01-01

    In this paper, we report an efficient process to grow well-aligned carbon nanotube (CNT) arrays with a good area distribution density (about 5.6 ×107 CNT/mm2). Vertically aligned carbon nanotubes (VA-CNTs) have been produced by controlling flow rate, temperature and catalyst nanoparticles using a floating catalyst chemical vapor deposition (FC-CVD) technique. They were synthesized on quartz substrates at 800 °C from toluene as a carbon source. VA-CNT samples were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy and their surface area and pore size were determined by nitrogen adsorption analysis. The synthesized CNTs have a length of 500 µm and diameters ranging from 120±40 nm. The CNT filaments form a strength structure and exhibit a good vertical alignment. The remarkable properties of CNTs make them attractive for separation applications, especially for water and wastewater treatment.

  14. Synthesis and Characterization of Mass Produced High Quality Few Layered Graphene Sheets via a Chemical Method

    KAUST Repository

    Khenfouch, Mohammed

    2014-04-01

    Graphene is a two-dimensional crystal of carbon atoms arranged in a honeycomb lattice. It is a zero band gap semimetal with very unique physical and chemical properties which make it useful for many applications such as ultra-high-speed field-effect transistors, p-n junction diodes, terahertz oscillators, and low-noise electronic, NEMS and sensors. When the high quality mass production of this nanomaterial is still a big challenge, we developed a process which will be an important step to achieve this goal. Atomic Force Microscopy, Scanning Electron Microscopy, Scanning tunneling microscopy, High Resolution Transmission Electron Microscopy, X-Ray Diffraction, Raman spectroscopy, Energy Dispersive X-ray system were investigated to characterize and examine the quality of this product.

  15. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhi, K. T., E-mail: arulsheelphy@gmail.com [Physics Wing (DDE), Annamalai University, Tamil Nadu, India - 608 002 (India); Mythili, N. [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)

    2013-12-15

    Lead oxide (PbO) nanoparticles were chemically synthesized using Lead (II) acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA) and Cetryl Tri Methyl Butoxide (CTAB) on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD), Fourier Transform-Infrared spectroscopy (FT-IR), Photoluminescence (PL) Field Emission Scanning Electron Microscopy (FE-SEM), Energy Dispersive Spectroscopy (EDS) and Transmission Electron Microscopy (TEM) were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  16. Synthesis and characterization of Cu-doped ZnO nanorods chemically grown on flexible substrate

    Science.gov (United States)

    Shabannia, R.

    2016-08-01

    Vertically aligned undoped and Cu-doped ZnO nanorods array were successfully grown on flexible substrate by chemical bath deposition method at a low 0074emperature. The fabricated materials were characterized using X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDX) and photoluminescence (PL) spectroscopy. XRD analysis showed that Cu doping improves the crystallinity of the fabricated ZnO nanorods. The mean diameter and bending of the ZnO nanorods increase with an increase of Cu doping, but the density of Cu-doped ZnO nanorods almost unchanged. Room temperature PL measurement displayed increased intensity in UV peak and decreased visible peak after Cu doping.

  17. Synthesis of nano sized ZnO by chemical method via refluxing

    Science.gov (United States)

    Najidha, S.; Malik, M. M.; Shastri, Lokesh; Koutu, V.

    2017-06-01

    Recently, nanomaterials have attracted attention of researchers as advanced technological materials because of their unique structural, optical and electrical characteristics. In this work, ZnO nanoparticles were synthesized by chemical reduction method in an aqueous solution via refluxing using Zinc acetate dehydrate and sodium hydroxide as precursors. The synthesized nanoparticles were characterized by X-Ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Photoluminescence (PL) spectra. The XRD pattern indicates hexagonal wurtzite structure with average grain size of 0.628nm and 0.491nm at refluxing temperatures 90°C and 100°C respectively. The FESEM images reveal that the as-prepared powder shows cubical structures with hexagonal base with an average size of ˜47 nm for 90°C reflux sample and ˜44nm for 100°C reflux sample.

  18. Facile synthesis of graphene on single mode fiber via chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, C. [College of Physics and Electronics, Shandong Normal University, Jinan 250014 (China); Man, B.Y., E-mail: byman@sdnu.edu.cn [College of Physics and Electronics, Shandong Normal University, Jinan 250014 (China); Jiang, S.Z. [College of Physics and Electronics, Shandong Normal University, Jinan 250014 (China); State Key Lab of Crystal Materials Shandong University, Jinan 250100 (China); Yang, C.; Liu, M.; Chen, C.S.; Xu, S.C. [College of Physics and Electronics, Shandong Normal University, Jinan 250014 (China); Feng, D.J. [School of Information Science and Engineering, Shandong University, Jinan 250100 (China); Bi, D.; Liu, F.Y.; Qiu, H.W. [College of Physics and Electronics, Shandong Normal University, Jinan 250014 (China)

    2014-07-01

    Direct deposition of graphene film on the standard single mode fiber is offered using a Cu-vapor-assisted chemical vapor deposition system. The gas flow of H{sub 2} and Ar before the growth process plays a crucial role for the direct deposition of the graphene film and the layers of the graphene can be controlled by the growth time. With a large gas flow, Cu atoms are carried off with the gas flow and hard to deposit on the surface of the single mode fiber before the growth process. Consequently, uniform graphene film is obtained in this case. On the contrary, with a lower one, Cu atoms is facile to deposit on the surface of the single mode fiber and form nanodots acting as active catalytic sites for the growth of carbon nanotubes. This method presents us a promising transfer-free technique for fabrication of the photonic applications.

  19. Catalytic Chemical Vapor Deposition Synthesis of Carbon Aerogels of High-Surface Area and Porosity

    Directory of Open Access Journals (Sweden)

    Armando Peña

    2012-01-01

    Full Text Available In this work carbon aerogels were synthesized by catalytic chemical vapor deposition method (CCVD. Ferrocene were employed as a source both of catalytic material (Fe and of carbon. Gaseous hydrogen and argon were used as reductant and carrier gas, respectively. The products of reaction were collected over alumina. The morphology and textural properties of the soot produced in the reaction chamber were investigated using Scanning Electron Microscopy, High-Resolution Transmission Electron Microscopy, X-ray photoelectron spectroscopy, and N2 physisorption (BET and BHJ methods. After the evaluation of the porous structure of the synthesized products, 780 ± 20 m2/g of SBET and 0.55 ± 0.02 cm3/g of VBJH were found. The presence of iron carbide and the partial oxidation of carbon nanostructures were revealed by XPS.

  20. Sono-chemical synthesis of cellulose nanocrystals from wood sawdust using Acid hydrolysis.

    Science.gov (United States)

    Shaheen, Th I; Emam, Hossam E

    2017-10-06

    Cellulose nanocrystal (CNC) is a unique material obtained from naturally occurring cellulose fibers. Owing to their mechanical, optical, chemical, and rheological properties, CNC gained significant interest. Herein, we investigate the potential of commercially non-recyclable wood waste, in particular, sawdust as a new resource for CNC. Isolation of CNC from sawdust was conducted as per acid hydrolysis which induced by ultrasonication technique. Thus, sawdust after being alkali delignified prior sodium chlorite bleaching, was subjected to sulfuric acid with concentration of 65% (w/w) at 60(°)C for 60min. After complete reaction, CNC were collected by centrifugation followed by dialyzing against water and finally dried via using lyophilization technique. The CNC yield attained values of 15% from purified sawdust. Acid hydrolysis mechanism exactly referred that, the amorphous regions along with thinner as well as shorter crystallites spreaded throughout the cellulose structure are digested by the acid leaving CNC suspension. The latter was freeze-dried to produce CNC powder. A thorough investigation pertaining to nanostructural characteristics of CNC was performed. These characteristics were monitored using TEM, SEM, AFM, XRD and FTIR spectra for following the changes in functionality. Based on the results obtained, the combination of sonication and chemical treatment was great effective in extraction of CNC with the average dimensions (diameter×length) of 35.2±7.4nm×238.7±81.2nm as confirmed from TEM. Whilst, the XRD study confirmed the crystal structure of CNC is obeyed cellulose type I with crystallinity index ∼90%. Cellulose nanocrystals are nominated as the best candidate within the range studied in the area of reinforcement by virtue of their salient textural features. Copyright © 2017. Published by Elsevier B.V.

  1. Solutions as solutions--synthesis and use of a liquid polyester excipient to dissolve lipophilic drugs and formulate sustained-release parenterals.

    Science.gov (United States)

    Asmus, Lutz R; Gurny, Robert; Möller, Michael

    2011-11-01

    Solid poly(lactides) and poly(lactide-co-glycolides) are widely used polymers for sustained-release parenterals. However, they have some unfavorable properties regarding manufacturing of the formulations and administration to the patient due to their solid aggregate state. In contrast, hexyl-substituted poly(lactic acid) (hexPLA, poly(2-hydroxyoctanoic acid)) is a viscous degradable polyester. To date, a two-step ring-opening polymerization was used for its synthesis. Here, we investigated a novel one-pot one-step melt polycondensation method to prepare hexPLA for biomedical applications by a simple green chemistry process. No catalyst or solely pharmaceutically acceptable catalysts and environmentally friendly purification methods without organic solvents were used. The resulting hexPLA polymers are stable under dry heat sterilization conditions. Low molecular weight hexPLAs with less than 5000 g/mol are less viscous than high molecular weight polymers. HexPLA can dissolve lipophilic active substances, with generally high incorporation capacities in low molecular weight polymers. The incorporation of solid compounds increases the viscosity and glass transition temperature, whereas the addition of small amounts of plasticizers or sparse warming significantly decreases the viscosity. Loratadine is soluble in hexPLA up to 28%. This highly concentrated Loratadine-hexPLA formulation released the active compound entirely over 14 days without initial burst in a zero order kinetic, matching the clinical requirements for such a sustained-release formulation. This demonstrates the potential of hexPLA as an excipient for injectable sustained-release formulations. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. The effect of chemical additives on the synthesis of ethanol. Technical progress report 15, March 15, 1991--June 15, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Chuang, S.S.C.; Pien, S.I.

    1991-06-01

    The objective of this research is to elucidate the role of various chemical additives on ethanol synthesis over Rh- and Ni-based catalysts. Chemical additives used for this study will include S, P, Ag, Cu, Mn, and Na which have different electronegativeities. The effect of additives on the surface state of the catalysts, heat of adsorption of reactant molecules, reaction intermediates, reaction pathways, reaction kinetics, and product distributions is/will be investigated by a series of experimental studies of NO adsorption, reactive probing, steady state rate measurement, and transient kinetic study. CO insertion is known to be a key step to the formation of acetaldehyde and ethanol from CO hydrogenation. Reaction of ethylene with syngas is used as a probe to determine CO insertion capabilities of metal catalysts. During the sixth quarter of the project, the mechanism of CO insertion on Ni/SiO{sub 2} was investigated by in-situ infrared spectroscopy. Ni/SiO{sub 2}, a methanation catalyst, has been shown to exhibit CO insertion activity. In situ infrared studies of CO/H{sub 2} and C{sub 2}H{sub 4}/CO/H{sub 2} reactions show that the carbonylation of Ni/SiO{sub 2} to Ni(CO){sub 4} leads to an inhibition of methanation in CO hydrogenation but an enhancement of formation of propionaldehyde in C{sub 2}H{sub 4}/CO/H{sub 2} reaction. The results suggest that the sites for propionaldehyde formation is different from those for methanation.

  3. The surface science of graphene: Metal interfaces, CVD synthesis, nanoribbons, chemical modifications, and defects

    Science.gov (United States)

    Batzill, Matthias

    2012-03-01

    Graphene, a single atomic layer of sp 2 hybridized carbon, exhibits a zero-band gap with linear band dispersion at the Fermi-level, forming a Dirac-cone at the K-points of its Brillouin zone. In this review, we focus on basic materials science issues of this intriguing material. The scope of this work is further narrowed by concentrating on graphene grown at transition metal surfaces, mostly under vacuum conditions, and neglecting other graphene synthesis approaches, namely growth on SiC or by graphene oxide reduction. Thus one large section of this review focuses on metal/graphene interfaces. We summarize recent surface science studies on the structure, interaction, and the growth of graphene on various metals. Metal supported graphene is a recurring theme throughout this review as it provides model-systems for studying adsorption and graphene modifications on well-defined, large area samples, and thus is ideal for employing surface science techniques. Other aspects of graphene are also reviewed. Approaches for creating and characterizing graphene nanostructures, in particular graphene nanoribbons, are discussed. Graphene nanoribbons play an important role for potential electronic applications because the lateral electron confinement in the ribbons opens a band-gap in graphene. Materials issues of nanoribbons, like formation of well-defined edges are introduced. Atomic-scale defect-structures in graphene are another topic. The known defect structures in graphene are categorized and atomic scale characterization of these defects by scanning tunneling microscopy (stocktickerSTM) and high resolution transmission electron microscopy (TEM) is illustrated. Important for applications of graphene is our ability of modifying its properties. Therefore, studies of substitutional doping of graphene with nitrogen or boron, hydrogenation or fluorination of graphene, and the adsorption of molecules with strong electron affinity are included in this review. This review is

  4. Fe-based magnetic nanomaterials: Wet chemical synthesis, magnetic properties and exploration on applications

    Science.gov (United States)

    Xiaoliang, Hong

    Even though the start of research based on Fe-based magnetic nanomaterials could be dated back to hundreds years ago, the considerably large amount of emerging fields for their applications, including spintronic structures in information storage, biomedical and environmental applications, magnetic sensors, magnetic energy harvesters, has spurred renewed interest on the application-related properties of Fe-based nanomaterial in both the nanoparticle and film forms. Besides, an exploration of a simple, wide, effective technique that can be used for growth of high-quality Fe-based magnetic nanoparticles and films is of great importance for better materialization of these potential Fe-based devices. This thesis mainly focuses on fabricating different magnetic Fe-based materials (ferrites and ferrous alloys, nanoparticle and film) with wet chemical method, investigating their growth mechanism and magnetic and electrical properties. In addition, the possible applications of as-fabricated Fe-based nanoparticles and films are studied. The contribution of the work is summarized as below: (1) Investigation indicated that the external magnetic field plays an important role in determining the microstructure, magnetic properties of the Fe3O4 nanoparticles. The magnetic field can promote the change of Fe3O4 nanocuboctahedrons to nanocubes. Compared the hyperthermia property of as-fabricated nanocuboctahedrons and nanocubes Fe3O4, the intrinsic loss power (ILP) of the Fe3O4 nanocubes was much higher than that of nanocuboctahedrons due to the surface magnetic effect. (2) A general and facile method for broadly deposition of thick Fe 3O4 film and other ferrites has been demonstrated. It had been found that the epitaxial high-quality Fe3O4 film could be deposited either on MgO substrates directly or Si substrates with Fe3O4 seed layer deposited by PLD. As-deposited Fe 3O4 film could be easily patterned and shows potential applications for microwave and MEMS supercapacitor. Besides

  5. Low Temperature Synthesis, Chemical and Electrochemical Characterization of LiNi(x)Co(1-x)O2 (0 less than x less than 1)

    Science.gov (United States)

    Nanjundaswamy, K. S.; Standlee, D.; Kelly, C. O.; Whiteley, R. V., Jr.

    1997-01-01

    A new method of synthesis for the solid solution cathode materials LiNi(x)Co(1-x)O2 (0 less than x less than 1) involving enhanced reactions at temperatures less than or equal to 700 deg. C, between metal oxy-hydroxide precursors MOOH (M = Ni, Co) and Li-salts (Li2CO3, LiOH, and LiNO3) has been investigated. The effects of synthesis conditions and sources of Li, on phase purity, microstructure, and theoretical electrochemical capacity (total M(3+) content) are characterized by powder X-ray diffraction analysis, scanning electron microscopy, chemical analysis and room temperature magnetic susceptibility. An attempt has been made to correlate the electrochemical properties with the synthesis conditions and microstructure.

  6. Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.

    Science.gov (United States)

    Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A

    2015-02-04

    To demonstrate the ease of scale-up and synthetic potential of some organic solid state reactions, we report the synthesis, crystallization, and solid state photochemistry of acyclic, homochiral, hexasubstituted (+)-(2R,4S)-2-carbomethoxy-4-cyano-2,4-diphenyl-3-pentanone 1. We demonstrate that solid state photodecarbonylation of (+)-(2R,4S)-1 affords (+)-(2R,3R)-2-carbomethoxy-3-cyano-2,3-diphenyl-butane 2 with two adjacent stereogenic, all-carbon substituted quaternary centers, in quantitative chemical yield and 100% diastereoselectivity and enantiomeric excess. The efficient multigram photodecarbonylation of (+)-(2R,4S)-1 as a nanocrystalline suspension in water using a continuous flow photoreactor shows that the large-scale synthesis of synthetically challenging compounds using photochemical synthesis in the solid state can be executed in a remarkably simple manner.

  7. Synthesis of few layer single crystal graphene grains on platinum by chemical vapour deposition

    Directory of Open Access Journals (Sweden)

    S. Karamat

    2015-08-01

    Full Text Available The present competition of graphene electronics demands an efficient route which produces high quality and large area graphene. Chemical vapour deposition technique, where hydrocarbons dissociate in to active carbon species and form graphene layer on the desired metal catalyst via nucleation is considered as the most suitable method. In this study, single layer graphene with the presence of few layer single crystal graphene grains were grown on Pt foil via chemical vapour deposition. The higher growth temperature changes the surface morphology of the Pt foil so a delicate process of hydrogen bubbling was used to peel off graphene from Pt foil samples with the mechanical support of photoresist and further transferred to SiO2/Si substrates for analysis. Optical microscopy of the graphene transferred samples showed the regions of single layer along with different oriented graphene domains. Two type of interlayer stacking sequences, Bernal and twisted, were observed in the graphene grains. The presence of different stacking sequences in the graphene layers influence the electronic and optical properties; in Bernal stacking the band gap can be tunable and in twisted stacking the overall sheet resistance can be reduced. Grain boundaries of Pt provides low energy sites to the carbon species, therefore the nucleation of grains are more at the boundaries. The stacking order and the number of layers in grains were seen more clearly with scanning electron microscopy. Raman spectroscopy showed high quality graphene samples due to very small D peak. 2D Raman peak for single layer graphene showed full width half maximum (FWHM value of 30 cm−1. At points A, B and C, Bernal stacked grain showed FWHM values of 51.22, 58.45 and 64.72 cm−1, while twisted stacked grain showed the FWHM values of 27.26, 28.83 and 20.99 cm−1, respectively. FWHM values of 2D peak of Bernal stacked grain showed an increase of 20–30 cm−1 as compare to single layer graphene

  8. Dual-functional aniline-assisted wet-chemical synthesis of bismuth telluride nanoplatelets and their thermoelectric performance

    Science.gov (United States)

    Li, Changcun; Kong, Fangfang; Liu, Congcong; Liu, Huixuan; Hu, Yongjing; Wang, Tongzhou; Xu, Jingkun; Jiang, Fengxing

    2017-06-01

    The wet-chemical approach is of great significance for the synthesis of two-dimensional (2D) bismuth telluride nanoplatelets as a potential thermoelectric (TE) material. Herein, we proposed a simple and effective solution method with the assistance of aniline for the fabrication of bismuth telluride nanoplatelets at a low temperature of 100 °C. The choice of aniline with its dual function avoided the simultaneous use of a capping regent and a toxic reductant. The as-synthesized nanoplatelets have a large size of more than 900 × 500 nm2 and a small thickness of 15.4 nm. The growth of bismuth telluride nanoplatelets are related to the Bi/Te ratio of precursors indicating that a larger content of the Bi precursor is more conducive to the formation of 2D nanoplatelets. The bismuth telluride nanoplatelets pressed into a pellet show a smaller electrical resistivity (˜6.5 × 10-3 Ω · m) and a larger Seebeck coefficient (-135 μV K-1), as well as a lower thermal conductivity (0.27 W m-1 K-1) than those of nanoparticles. The next goal is to further reduce the electrical resistivity and optimize the TE performance by disposing of the residual reactant of aniline adsorbed on the surface of the nanoplatelets.

  9. Synthesis of large scale graphene oxide using plasma enhanced chemical vapor deposition method and its application in humidity sensing

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yang; Chen, Yuming, E-mail: yumingchen@fudan.edu.cn [Institute for Electric Light Sources, Fudan University, 220 Handan Road, Shanghai 200433 (China); Engineering Research Center of Advanced Lighting Technology, Ministry of Education, 220 Handan Road, Shanghai 00433 (China)

    2016-03-14

    Large scale graphene oxide (GO) is directly synthesized on copper (Cu) foil by plasma enhanced chemical vapor deposition method under 500 °C and even lower temperature. Compared to the modified Hummer's method, the obtained GO sheet in this article is large, and it is scalable according to the Cu foil size. The oxygen-contained groups in the GO are introduced through the residual gas of methane (99.9% purity). To prevent the Cu surface from the bombardment of the ions in the plasma, we use low intensity discharge. Our experiment reveals that growth temperature has important influence on the carbon to oxygen ratio (C/O ratio) in the GO; and it also affects the amount of π-π* bonds between carbon atoms. Preliminary experiments on a 6 mm × 12 mm GO based humidity sensor prove that the synthesized GO reacts well to the humidity change. Our GO synthesis method may provide another channel for obtaining large scale GO in gas sensing or other applications.

  10. Single step synthesis of rutile TiO{sub 2} nanoflower array film by chemical bath deposition method

    Energy Technology Data Exchange (ETDEWEB)

    Dhandayuthapani, T. [Department of Nanoscience and Technology, Alagappa University, Karaikudi – 630 004 (India); Sivakumar, R. [Directorate of Distance Education, Alagappa University, Karaikudi – 630 004 (India); Ilangovan, R., E-mail: rilangovan@yahoo.com [National Centre for Nanosciences and Nanotechnology, University of Madras, Chennai – 600 025 (India)

    2016-05-06

    Titanium oxide (TiO{sub 2}) nanostructures such as nanorod arrays, nanotube arrays and nanoflower arrays have been extensively investigated by the researchers. Among them nanoflower arrays has shown superior performance than other nanostructures in Dye sensitized solar cell, photocatalysis and energy storage applications. Herein, a single step synthesis for rutile TiO{sub 2} nanoflower array films suitable for device applications has been reported. Rutile TiO{sub 2} nanoflower thin film was synthesized by chemical bath deposition method using NaCl as an additive. Bath temperature induced evolution of nanoflower thin film arrays was observed from the morphological study. X-ray diffraction study confirmed the presence of rutile phase polycrystalline TiO{sub 2}. Micro-Raman study revealed the presence of surface phonon mode at 105 cm{sup −1} due to the phonon confinement effect (finite size effect), in addition with the rutile Raman active modes of B{sub 1}g (143 cm{sup −1}), Eg (442 cm{sup −1}) and A{sub 1}g (607 cm{sup −1}). Further, the FTIR spectrum confirmed the presence of Ti-O-Ti bonding vibration. The Tauc plot showed the direct energy band gap nature of the film with the value of 2.9 eV.

  11. Single step synthesis of rutile TiO2 nanoflower array film by chemical bath deposition method

    Science.gov (United States)

    Dhandayuthapani, T.; Sivakumar, R.; Ilangovan, R.

    2016-05-01

    Titanium oxide (TiO2) nanostructures such as nanorod arrays, nanotube arrays and nanoflower arrays have been extensively investigated by the researchers. Among them nanoflower arrays has shown superior performance than other nanostructures in Dye sensitized solar cell, photocatalysis and energy storage applications. Herein, a single step synthesis for rutile TiO2 nanoflower array films suitable for device applications has been reported. Rutile TiO2 nanoflower thin film was synthesized by chemical bath deposition method using NaCl as an additive. Bath temperature induced evolution of nanoflower thin film arrays was observed from the morphological study. X-ray diffraction study confirmed the presence of rutile phase polycrystalline TiO2. Micro-Raman study revealed the presence of surface phonon mode at 105 cm-1 due to the phonon confinement effect (finite size effect), in addition with the rutile Raman active modes of B1g (143 cm-1), Eg (442 cm-1) and A1g (607 cm-1). Further, the FTIR spectrum confirmed the presence of Ti-O-Ti bonding vibration. The Tauc plot showed the direct energy band gap nature of the film with the value of 2.9 eV.

  12. A systematic study of triangular silver nanoplates: one-pot green synthesis, chemical stability, and sensing application.

    Science.gov (United States)

    Wijaya, Yosia Nico; Kim, Jinwoo; Choi, Won Mook; Park, Sung Hwan; Kim, Mun Ho

    2017-08-17

    While there has been remarkable success in generating silver (Ag) nanoplates, and they have considerable potential applications, their degradation behavior in certain environments remains poorly understood. In the current work, we investigated the chemical stability of triangular Ag nanoplates. A one-step water-based synthesis method regulated by the coordination of ligands to Ag cations was successfully employed to produce triangular Ag nanoplates with a high yield. The Ag nanoplates were irreversibly degraded when they were aged with poly(styrene-4-sulfonate) (PSS) at room temperature, and the corresponding localized surface plasmon resonances (LSPR) of the Ag nanoplates changed as well. In contrast, when the Ag nanoplates were aged with potassium persulfate (KPS), the shape evolution of Ag nanoplates was found to depend on the external temperature, and the Ag nanoplate solutions showed different final colors when different external temperatures were applied. These results exhibit important implications for the behavior of triangular Ag nanoplates in a wide variety of plasmonic applications and can be applied to the colorimetric sensing of the temperature history.

  13. Synthesis of rectangular plate like gold nanoparticles by in situ generation of seeds by combining both radiation and chemical methods

    Science.gov (United States)

    Biswal, Jayashree; Ramnani, S. P.; Shirolikar, Seema; Sabharwal, S.

    2011-01-01

    Synthesis of gold nanoparticles of morphology other than spheres or rods in a single step by combining the radiolytic and chemical methods has been investigated. The seeds of gold nanoparticle are generated in situ by irradiating aqueous solution containing 4×10 -4 mol dm -3 gold precursor ion (Au III), 0.1 mol dm -3 cetyltrimethyl ammonium bromide (CTAB), 0.2 mol dm -3 isopropanol, 6×10 -5 mol dm -3 Ag + and 7.2×10 -4 mol dm -3 ascorbic acid (AA) at a dose rate 3.4 kGy hr -1. After a short irradiation time sufficient number of seeds were formed in the solution. Au I present in the system get adsorbed upon these seeds and then subsequently reduction of Au I to Au 0 by ascorbic acid and growth of the seeds results in formation of gold nanoparticles. TEM image confirmed that plate like gold nanoparticles have been formed. The anisotropic growth of nanoparticles was found to be controlled by bilayer structure of CTAB and selective adsorption of silver ion present in the system.

  14. Synthesis of rectangular plate like gold nanoparticles by in situ generation of seeds by combining both radiation and chemical methods

    Energy Technology Data Exchange (ETDEWEB)

    Biswal, Jayashree, E-mail: jbiswal@barc.gov.i [Radiation Technology Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Ramnani, S.P. [Radiation Technology Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Shirolikar, Seema [Department of Biological Sciences, Tata Institute of Fundamental Research, Mumbai 400005 (India); Sabharwal, S. [Radiation Technology Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

    2011-01-15

    Synthesis of gold nanoparticles of morphology other than spheres or rods in a single step by combining the radiolytic and chemical methods has been investigated. The seeds of gold nanoparticle are generated in situ by irradiating aqueous solution containing 4x10{sup -4} mol dm{sup -3} gold precursor ion (Au{sup III}), 0.1 mol dm{sup -3} cetyltrimethyl ammonium bromide (CTAB), 0.2 mol dm{sup -3} isopropanol, 6x10{sup -5} mol dm{sup -3} Ag{sup +} and 7.2x10{sup -4} mol dm{sup -3} ascorbic acid (AA) at a dose rate 3.4 kGy hr{sup -1}. After a short irradiation time sufficient number of seeds were formed in the solution. Au{sup I} present in the system get adsorbed upon these seeds and then subsequently reduction of Au{sup I} to Au{sup 0} by ascorbic acid and growth of the seeds results in formation of gold nanoparticles. TEM image confirmed that plate like gold nanoparticles have been formed. The anisotropic growth of nanoparticles was found to be controlled by bilayer structure of CTAB and selective adsorption of silver ion present in the system.

  15. Facile Route to the Controlled Synthesis of Tetragonal and Orthorhombic SnO2 Films by Mist Chemical Vapor Deposition.

    Science.gov (United States)

    Bae, Jae-Yoon; Park, Jozeph; Kim, Hyun You; Kim, Hyun-Suk; Park, Jin-Seong

    2015-06-10

    Two types of tin dioxide (SnO2) films were grown by mist chemical vapor deposition (Mist-CVD), and their electrical properties were studied. A tetragonal phase is obtained when methanol is used as the solvent, while an orthorhombic structure is formed with acetone. The two phases of SnO2 exhibit different electrical properties. Tetragonal SnO2 behaves as a semiconductor, and thin-film transistors (TFTs) incorporating this material as the active layer exhibit n-type characteristics with typical field-effect mobility (μ(FE)) values of approximately 3-4 cm(2)/(V s). On the other hand, orthorhombic SnO2 is found to behave as a metal-like transparent conductive oxide. Density functional theory calculations reveal that orthorhombic SnO2 is more stable under oxygen-rich conditions, which correlates well with the experimentally observed solvent effects. The present study paves the way for the controlled synthesis of functional materials by atmospheric pressure growth techniques.

  16. Titanium dioxide nanoparticles: synthesis, X-Ray line analysis and chemical composition study

    Energy Technology Data Exchange (ETDEWEB)

    Chenari, Hossein Mahmoudi, E-mail: mahmoudi_hossein@guilan.ac.ir, E-mail: h.mahmoudiph@gmail.com [University of Guilan, Rasht (Iran, Islamic Republic of); Seibel, Christoph; Hauschild, Dirk; Reinert, Friedrich [Karlsruhe Institute of Technology - KIT, Gemeinschaftslabor für Nanoanalytik, Karlsruhe (Germany); Abdollahian, Hossein [Nanotechnology Research Center of Urmia University, Urmia, (Iran, Islamic Republic of)

    2016-11-15

    TiO{sub 2} nanoparticles have been synthesized by the sol-gel method using titanium alkoxide and isopropanol as a precursor. The structural properties and chemical composition of the TiO{sub 2} nanoparticles were studied using X-ray diffraction, scanning electron microscopy, and X-ray photoelectron spectroscopy.The X-ray powder diffraction pattern confirms that the particles are mainly composed of the anatase phase with the preferential orientation along [101] direction. The physical parameters such as strain, stress and energy density were investigated from the Williamson- Hall (W-H) plot assuming a uniform deformation model (UDM), and uniform deformation energy density model (UDEDM). The W-H analysis shows an anisotropic nature of the strain in nano powders. The scanning electron microscopy image shows clear TiO{sub 2} nanoparticles with particle sizes varying from 60 to 80nm. The results of mean particle size of TiO{sub 2} nanoparticles show an inter correlation with the W-H analysis and SEM results. Our X-ray photoelectron spectroscopy spectra show that nearly a complete amount of titanium has reacted to TiO{sub 2}. (author)

  17. Synthesis of boron nitride nanostructures from catalyst of iron compounds via thermal chemical vapor deposition technique

    Science.gov (United States)

    da Silva, Wellington M.; Ribeiro, Hélio; Ferreira, Tiago H.; Ladeira, Luiz O.; Sousa, Edésia M. B.

    2017-05-01

    For the first time, patterned growth of boron nitride nanostructures (BNNs) is achieved by thermal chemical vapor deposition (TCVD) technique at 1150 °C using a mixture of FeS/Fe2O3 catalyst supported in alumina nanostructured, boron amorphous and ammonia (NH3) as reagent gas. This innovative catalyst was synthesized in our laboratory and systematically characterized. The materials were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), Thermogravimetric analysis (TGA), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The X-ray diffraction profile of the synthesized catalyst indicates the coexistence of three different crystal structures showing the presence of a cubic structure of iron oxide and iron sulfide besides the gamma alumina (γ) phase. The results show that boron nitride bamboo-like nanotubes (BNNTs) and hexagonal boron nitride (h-BN) nanosheets were successfully synthesized. Furthermore, the important contribution of this work is the manufacture of BNNs from FeS/Fe2O3 mixture.

  18. Synthesis of thick diamond films by direct current hot-cathode plasma chemical vapour deposition

    CERN Document Server

    Jin Zeng Sun; Bai Yi Zhen; Lu Xian Yi

    2002-01-01

    The method of direct current hot-cathode plasma chemical vapour deposition has been established. A long-time stable glow discharge at large discharge current and high gas pressure has been achieved by using a hot cathode in the temperature range from 1100 degree C to 1500 degree C and non-symmetrical configuration of the poles, in which the diameter of the cathode is larger than that of anode. High-quality thick diamond films, with a diameter of 40-50 mm and thickness of 0.5-4.2 mm, have been synthesized by this method. Transparent thick diamond films were grown over a range of growth rates between 5-10 mu m/h. Most of the thick diamond films have thermal conductivities of 10-12 W/K centre dot cm. The thick diamond films with high thermal conductivity can be used as a heat sink of semiconducting laser diode array and as a heat spreading and isolation substrate of multichip modules. The performance can be obviously improved

  19. Controlled synthesis of Sb2O3 nanoparticles by chemical reducing method in ethylene glycol

    Science.gov (United States)

    Chin, Hui Shun; Cheong, Kuan Yew; Razak, Khairunisak Abdul

    2011-07-01

    Antimony trioxide (Sb2O3) nanoparticles with particle size range from 2 to 12 nm were successfully synthesized by chemical reducing method. Antimony trichloride was reduced by hydrazine with the presence of sodium hydroxide (NaOH) as catalyst in ethylene glycol at 120 °C for 1 h. Effects of hydrazine concentration ([N2H5OH]/[Sb3+] = 0.75, 5, 10, 20, and 30, when concentration of NaOH was fixed [NaOH]/[Sb3+] = 3) and NaOH concentration ([NaOH]/[Sb3+] = 0, 1, 3, and 5, when concentration of hydrazine was fixed [N2H5OH]/[Sb3+] = 10) on the particle size and shape of the Sb2O3 nanoparticles were investigated. Transmission electron microscope, selected area electron diffraction pattern, and high resolution electron microscope were employed to study the morphology and crystallinity of the nanoparticles. It was observed that the particle size decreased and remained constant when [N2H5OH]/[Sb3+]) ≥ 10 and [NaOH]/[Sb3+] = 3. Further study on the crystallinity and phase of the nanoparticles was assisted by X-ray diffractometer (XRD). XRD revealed a cubic phase of Sb2O3 (ICDD file no. 00-043-1071) with preferred plane of (622) and lattice spacing of 1.68 Å. Correlation between UV-visible absorption wavelengths of the nanoparticles and their sizes was established.

  20. Synthesis, Crystal Structure, and Chemical-Bonding Analysis of BaZn(NCN2

    Directory of Open Access Journals (Sweden)

    Alex J. Corkett

    2017-12-01

    Full Text Available The ternary carbodiimide BaZn(NCN2 was prepared by a solid-state metathesis reaction between BaF2, ZnF2, and Li2NCN in a 1:1:2 molar ratio, and its crystal structure was determined from Rietveld refinement of X-ray data. BaZn(NCN2 represents the aristotype of the LiBa2Al(NCN4 structure which is unique to carbodiimide/cyanamide chemistry and is well regarded as being constructed from ZnN4 tetrahedra, sharing edges and vertices through NCN2− units to form corrugated layers with Ba2+ in the interlayer voids. Structural anomalies in the shape of the cyanamide units are addressed via IR spectrometry and DFT calculations, which suggest the presence of slightly bent N=C=N2− carbodiimide units with C2v symmetry. Moreover, chemical-bonding analysis within the framework of crystal orbital Hamilton population (COHP reveals striking similarities between the bonding interactions in BaZn(NCN2 and SrZn(NCN2 despite their contrasting crystal structures. BaZn(NCN2 is only the second example of a ternary post-transition metal carbodiimide, and its realization paves the way for the preparation of analogues featuring divalent transition metals at the tetrahedral Zn2+ site.