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Green Chemistry: The Missing Elements
John Warner
(Beyond Benign)
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Abstract:
Imagine a world where all segments of society demanded environmentally benign climate neutral products! Imagine if all consumers, all retailers and all manufacturers insisted on buying and selling only non-toxic truly sustainable materials! The unfortunate reality is that, even if this situation were to occur, our knowledge of materials science and chemistry would allow us to provide only a small fraction of the necessary products and materials that our economy is based upon. Unfortunately, the way we learn and teach chemistry and materials science in academia is for the most part void of any information regarding mechanisms of toxicity and environmental harm. Green Chemistry is a science that seeks to reduce or eliminate the use of hazardous materials at the design stage of a materials process. It has been demonstrated that materials and products CAN be designed with negligible impact on human health and the environment while still being economically competitive and successful in the marketplace. This presentation will describe the history and background of Green Chemistry and discuss the opportunities for the next generation of materials designers to create a safer and more sustainable future.
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Educação Ambiental entre o texto e o contexto: os currículos de Química em perspectiva
Nyuara Araújo da Silva Mesquita
(UFG)
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Resumo:
A conferência abordará a importância da educação ambiental no ensino de Química, com ênfase em como os currículos podem ser estruturados para enfrentar os desafios contemporâneos das emergências climáticas. A conexão entre o conhecimento químico e as questões ambientais será explorada a partir de uma análise crítica dos currículos de Química, destacando como conceitos como mudanças climáticas, sustentabilidade e uso responsável de recursos naturais podem ser integrados de maneira significativa. Além disso, o papel ativo da Química na busca de soluções para problemas ambientais será discutido, propondo um ensino que capacite os alunos a compreender e reagir às questões urgentes das emergências climáticas, preparando-os para serem agentes de mudança na construção de um futuro mais sustentável.
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Sistemas catalíticos heterogeneizados empregando materiais inorgânicos com porosidade controlada - síntese, caracterização e aplicações
Katia Bernardo Gusmão
(UFRGS)
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Resumo:
Sistemas catalíticos heterogeneizados apresentam diversas vantagens, como a viabilização da reutilização dos catalisadores, o aumento da estabilidade destes, e a melhoria da seletividade dos sistemas, entre outros benefícios. Nas reações de polimerização, a heterogeneização dos complexos em materiais inorgânicos oferece vantagens, como a possibilidade de empregar menor quantidade de solvente, o uso de reatores em fase gasosa, a promoção do fenômeno de réplica morfológica e a produção de polímeros com propriedades únicas. Serão apresentadas estratégias de síntese de catalisadores heterogeneizados em suportes inorgânicos e suas caracterizações. Além disso, serão discutidas as aplicações desses sistemas catalíticos heterogeneizados em diferentes suportes, com o objetivo de melhorar a atividade e a seletividade dos produtos de interesse em reações de oligomerização e polimerização de olefinas, bem como na cicloadição de CO2 a epóxidos. O desenvolvimento de diferentes suportes será abordado, visando o aprimoramento da atividade e seletividade dos produtos de interesse. Também serão discutidas estratégias para melhorar a acidez e a acessibilidade de vários materiais inorgânicos com porosidade controlada.
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New photoinitiating systems for high performance materials
(the challenge of shadow areas)
Jacques Lalevée
(Université de Haute Alsace - Mulhouse - França)
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Abstract:
Photopolymerization technology has been developing steadily benefiting from the characteristics of spatial and temporal controllability, environmental protection, and efficient processes.[1,2] However, the polymerization in shadow areas remains a huge challenge. In this work, new photoinitiating systems for radical, cationic or hybrid polymerization will be presented for different spectral ranges: near UV, visible, Near Infrared. This work will be extended to dual-cure processes as well as photopolyaddition reactions. Better depths of cure can be obtained. Some applications for coatings, 3D printing and photocomposites will be provided. The mechanical properties of the generated polymers/composites will be also investigated.
References:
[1]: Photoinitiators - Structures, Reactivity and Applications in Polymerization, J.P. Fouassier, Jacques Lalevee
Wiley-VCH, Weinheim, 2021
[2]: Dietlin C. ; Schweizer S. ; Xiao P. ; Zhang. J. ; Morlet-Savary F. ; Graff B. ; Fouassier J-P. ; Lalevée J. Polymer Chemistry, 2015, 6, 3895-3912.
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Asymmetric Organocatalysis and Photoredox Catalysis for the Synthesis of Chiral Amines
Géraldine Masson
(Institut de Chimie des Substances Naturelles ICSN-CNRS, Paris-Saclay University)
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Abstract:
Chiral amines are crucial intermediates in the synthesis of biologically active molecules, such as pharmaceuticals and agrochemicals. Given their significance, there is continuous interest in developing new, efficient, and stereoselective methods for their synthesis. In this context, we have worked on developing innovative methods for the α,β-difunctionalization of enamides using a synergistic two-step strategy that combines asymmetric organocatalysis with photoredox catalysis. A key aspect of this approach is the use of thiol as a transient reaction partner, which plays a vital role in enabling these transformations and allows for the synthesis of a diverse array of enantioenriched α,β-substituted amines.¹
Additionally, we successfully applied stereoselective and enantioselective photocatalytic processes to synthesize both α- and β-chiral amino boronic acids. In these reactions, α- and β-amino acids act as ideal linchpins, facilitating selective transformations and achieving high enantioselectivity.²
Finally, we report an efficient enantioselective synthesis of α-arylproanamides and α-arylpropionic acids through stereoselective desulfonative radical Truce-Smiles rearrangements. ³
In this presentation, we will highlight our work on these methodologies, focusing on their application in the synthesis of biologically active compounds and discussing their potential impact on the field.
References:
1) (a) K Bouchet, Y. D.; Varlet, T.; Masson, G. Acc. Chem. Res. 2022, 55, 3265. (b) Naulin, E.; Lombard, M.; Gandon, V.; Retailleau, P.; Elslande, E. V.; Neuville, L.; Masson, G. J. Am. Chem. Soc. 2023, 145, 48, 26504. (c) Varlet, T.; Matišić, M.; Van Elslande, E.; Neuville, L.; Gandon, V.; Masson, G. J. Am. Chem. Soc. 2021, 143, 11611.
2) Serafino, A.; Pierre, H.; Le Vaillant, F.; Boutet, J.; Guillamot, G.; Neuville, L.; Masson, G. Org. Lett. 2023, 25, 9249.
3) Ma, W.-Y.; Leone, M.; Derat, E.; Retailleau, P.; Reddy, C. R.; Neuville, L.; Masson, G. Angew. Chem. Int. Ed. 2024, e202408154.
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Potential of 3D Printing Technology for Producing Devices and Equipment in Laboratories with Limited Infrastructure
Eduardo Mathias Richter
(UFU)
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Abstract:
In this presentation, we will discuss how 3D printing can revolutionize scientific research in resource-constrained environments. The focus will be on using 3D printing to create disposable devices, providing low-cost, customizable solutions for various analytical applications. The presentation will also explore portable electrochemical methods, demonstrating how 3D-printed devices can be employed for on-site, field-based analysis, thus enhancing accessibility and convenience. Additionally, the development of automatic analytical systems using 3D printing technologies will be discussed, which can automate processes such as calibration curves, sample preparation, and data analysis, thereby improving efficiency in laboratories with limited resources. By leveraging 3D printing, researchers can overcome infrastructure limitations, enabling the production of functional, cost-effective devices and systems that enhance accessibility, portability, and automation in scientific investigations, making advanced research possible even in laboratories with minimal resources.
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Terapia Redox: o Vai e Vem dos Antioxidantes
Marília Oliveira Fonseca Goulart
(UFAL)
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Resumo:
A vida depende de interações moleculares únicas e/ou múltiplas, e de processos redox, dentro de uma única molécula e/ou em conjuntos moleculares e/ou sistemas bioquímicos adjacentes. Esses processos são essenciais para bioenergética, metabolismo, respiração celular, fotossíntese, neurotransmissão e equilíbrios baseados em transferências de elétrons apresentam papel fundamental para a saúde X doença. O oxigênio é vital, mas ao mesmo tempo, as espécies reativas de oxigênio e suas concentrações podem ser danosas aos organismos, tornando tênue a divisão entre o eustress (positivo) e o distress (negativo). Há necessidade de equilíbrio, para um processo salutar e há forte dependência de circunstâncias, dos compartimentos celulares e de múltiplos e complexos fatores.
A presente palestra visa examinar o estado da arte atual em relação a antioxidantes, seu uso indiscriminado, dificuldades, vantagens, desvantagens, perspectivas e pontos de vista em torno de seu uso na medicina redox, em doenças baseadas em estresse oxidativo e sua modulação em direção a aspectos benéficos. Abordará principalmente o desenvolvimento de estratégias, novos medicamentos, seu design e seus mecanismos moleculares de ação. Isso envolverá os fundamentos da transferência de elétrons, a fusão de testes analíticos e farmacológicos, o uso de modelos mais confiáveis para uma melhor abordagem, considerando ensaios in vivo e pesquisas clínicas, com suplementações nutracêuticas. Ênfase será dada à dificuldade de integrar várias áreas do conhecimento: medicina, eletroquímica, analítica, química supramolecular, materiais, bioquímica na perspectiva de desenvolver terapias de fato assertivas.
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Química Analítica verde: aspectos históricos, estado da arte e contribuições brasileiras
Fabio Rodrigo Piovezani Rocha
(CENA-USP)
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Resumo
A Química analítica verde tem experimentado um notável desenvolvimento nos últimos anos consolidando, de forma irreversível, a necessidade de desenvolvimento de procedimentos analíticos mais sustentáveis, considerando toxicidade/consumo de reagentes e solventes, geração/destinação de resíduos, demandas energéticas e aspectos de segurança aos usuários. Destaca-se, também, a proposta de métricas para a avaliação do enquadramento às premissas da Química analítica verde e identificação de perspectivas de melhora dos métodos. O Brasil tem se destacado nesse cenário, com contribuições relevantes para a resolução de problemas e entendimento dos processos. Essa evolução é evidente em publicações em periódicos relevantes da área, mas ainda tem sido tímida em relação à implementação em situações reais. O tema proposto objetiva discutir o estado da arte de processos analíticos, correlacionando com aspectos históricos, bem como identificar tendências e necessidades de aprimoramento. Serão destacadas algumas das importantes contribuições brasileiras à área e discutido o seu impacto no contexto histórico e estado da arte.
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Water Profiling for Chemicals: A New Frontier in Environmental Monitoring and Public Health Surveillance
Barbara Kasprzyk-Hordern
(University of Bath, Bath, Inglaterra)
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Abstract
Water-Based Epidemiology (WBE) is an epidemiological approach applied to track infectious disease prevalence as well as to provide early warning for chemical exposure and identify environmental exposure risk factors that drive non-communicable diseases and adverse ecosystem effects.
WBE has the potential to revolutionise healthcare and environmental sectors as it provides (near)real-time and cost-effective community-wide public and environmental health diagnostics. Urban water contains a complex mixture of human excretion products such endogenously formed metabolic residues, oxidative stress markers, genes, inflammation proteins, as well as exogenous stressors such as hazardous chemicals and pathogens. WBE postulates that the measurement of these specific biomarkers can provide valuable evidence of the quantity and type of xenobiotic chemical or biological agent to which the served population was exposed. Therefore, WBE can provide anonymized, comprehensive, and objective information on the exposure status of whole communities and the receiving environments as well as capture the effects of exposure and health outcomes.
This talk will focus on advances in WBE to deliver early warning systems for hazardous chemicals exposure risks and exposure health outcome associations. Examples of wide-scope water fingerprinting for environmental and public health determinants (e.g. household and industrial chemicals, pharmaceuticals and pesticides, their metabolites and endogenously formed stress chemicals) will be provided drawing from our regional work in South-West England Living Labs, as well as from our national study. WBE outputs will be discussed in the context of One Health actions. WBE provides a unique opportunity to enable research encompassing One Health ethos via (i) holistic evaluation of public and environmental health status, (ii) informing One Health actions (i.e., policy, technological or social interventions), and (iii) assessment of the effectiveness of mitigation strategies. Combining WBE with One Health actions can provide multiple benefits: from cost savings to more targeted and effective interventions leading to reduced environmental and public health burdens from hazardous chemicals.
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Inorganic Catalysis Meets Medicinal Chemistry: A Successful Combination?
Johannes Karges
(Ruhr Universität Bochum » Faculty of Chemistry and Biochemistry, Bochum, Alemanha)
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Abstract:
Cancer remains an insidious global adversary, defying even the most advanced therapeutic interventions. Conventional treatments - comprising surgery, chemotherapy, radiotherapy, or immunotherapy - while often effective, are typically associated with severe side effects, the emergence of drug resistance, relapses, and metastasis. To address these limitations, my research group focuses on leveraging the unique catalytic properties of metal-based agents to pioneer innovative therapeutic strategies. By merging the disciplines of inorganic catalysis and medicinal chemistry, we explore the untapped potential of metal complexes to induce a strong therapeutic effect at low drug doses with novel mechanisms of action.
This presentation covers two strategies involving the design, chemical synthesis, and biological evaluation of novel metal complexes that operate through unprecedented mechanisms of action. Within the first strategy, metal complexes that catalytically convert glutathione into glutathione disulfide are investigated, strategically dismantling cancer cells' defense systems and rendering them acutely vulnerable to oxidative stress, which culminates in cell death.[1-2] Within the second strategy, metal complexes are introduced as photocatalysts, capable of generating reactive oxygen species upon light activation for highly precise tumor targeting.[3-4] These approaches exemplify the transformative potential of metal-based catalysis in cancer cells towards overcoming the limitations of current treatments and opening new avenues in the fight against cancer.
Key References:
[1] N. Montesdeoca, L. Johannknecht, E. Efanova, J. Heinen-Weiler, J. Karges, Angew. Chem. Int. Ed. 2024, e202412585.
[2] H. Zhang, N. Montesdeoca, D. Tang, G. Liang, M. Cui, C. Xu, L.-M. Servos, T. Bing, Z. Papadopoulos, M. Shen, H. Xiao, Y. Yu, J. Karges, Nature Commun. 2024, 15, 9405.
[3] H. Zhou, D. Tang, Y. Yu, L. Zhang, B. Wang, J. Karges, H. Xiao, Nature Commun. 2023, 14, 5350.
[4] A. Fennes, N. Montesdeoca, Z. Papadopoulos, J. Karges, Chem. Commun. 2024, 60, 10724-10727.
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Proteomics and mass spectrometry approach towards the risk assessment of fluorinated compounds in the environment and in medical therapies
Ewa Joanna Bulska
(Universidade de Varsóvia - Polônia)
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Abstract:
In the last decade fluorine-containing compounds (FCC) have become the recognised emerging species in respect of health and environment. Small amounts of fluorine are naturally present in water, air, plants and animals. The two most important problems related to the introduction of synthetic fluorine compounds, their detection and impact assessment, will be discussed. One of the most emerging problems is the widespread use of synthetic fluorine compounds, including polytetrafluoroethylene – a synthetic polymer of carbon and fluorine, one of the most widely used chemicals, which can be transformed into micro-plastics. The second issue that will be discussed is the increasingly common use of fluorinated drugs. On the one hand, the introduction of fluorinated drugs into medical practice represented a significant advancement in the treatment of various diseases. Fluorinated drugs, characterized by the presence of a fluorine atom, possess specific chemical properties such as increased lipophilicity and stability, which contribute to an extended half-life of the active substance in the body, enhancing their therapeutic efficacy. However, due to their specific nature, fluorinated drugs may also be associated with potential side effects and risks for patients. Their strong chemical activity and ability to interact with various biological structures in the body can lead to adverse effects.Finally, building non-routine scenarios using a multi-method approach will be shown by examples of tracking the migration of micro-fluoroplastics in the environment and the metabolism of fluorinated drugs in the body.
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Prediction of New Chemical Entities
Gabriel Merino
(Cinvestav, Mexico)
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Abstract:
It is fascinating to explore and understand the chemical structure of molecules. The chemical structure is determined not only by the elements that make up the molecule but also by how those atoms are connected and arranged in space. Thus, the chemical structure and the connection between atoms—the chemical bond—are intimately related. Any change in the spatial arrangement of the nuclei will alter the nature of the chemical bond, and vice versa. Of course, there are established rules for determining molecular structure, particularly in organic molecules. But ask introductory or even graduate chemistry students to provide an example of a pentacoordinate carbon molecule or a planar tetracoordinate carbon. The likelihood of getting an example is close to zero. However, the chemical literature is full of examples of such non-classical carbon molecules, and this extends to any main group element. In this talk, the structure and bonding of some non-classical carbon (planar tetra- or hexacoordinate carbon), boron (fluxional boron clusters), and other main group element structures with even planar pentadecacoordinate atoms will be discussed.
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Effect of Defect Sites, Structural Flexibility, and Crystal Size on Zeolite Performance
Svetlana Mintova
(Normandy University, Caen, France)
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Abstract:
The remarkable performance of zeolites in catalysis and separation processes is attributed to their well-defined pores and structural characteristics, tunable chemical compositions, high surface areas, and tailored Brønsted/Lewis acidity. Despite being crystalline solids, zeolites are not without defects. Defects such as silanols significantly impact stability and long-term efficiency in applications.
This presentation will highlight the impact of defect sites, flexibility, and crystal size on zeolite efficiency. Recent advancements in zeolite synthesis and characterization will be discussed, emphasizing how controlling structural defects enhances the development of materials with improved reactivity and selectivity for both traditional and emerging applications. The implications of these defects on the catalytic properties of zeolites will be explored, including the concept of metal healing, where defects serve as entry points for novel isomorphous substitutions (e.g., Mo, W, Zn, Ni), creating new active sites that extend the operational range of zeolites beyond traditional limits.
Additionally, the role of structural defects and the flexibility of zeolites with controlled particle size in gas separation (CO2, CH4, H2O, N2) will be discussed. The potential of nanozeolites in biomedical applications for controlled gas delivery (O2/CO2) in hypoxic tumors will also be presented.
The presentation will advocate for further exploration and exploitation of zeolite defects and flexibility as key components of 'Zeolite Crystal Engineering' to design advanced materials for energy transitions and emerging technologies.
Acknowledgments: Funding from the ERC Advanced Grant under the agreement No 101054004 and the Label of Excellence for the Centre of Zeolites and Nanoporous Materials - CLEAR by the Region of Normandy is acknowledged.
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Approaching Chemical Accuracy and Testing Hypotheses in Computational Heterogeneous Catalysis
Lars G. M. Pettersson
(University of Stockholm)
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Integrating Safety, Security, and Sustainability Principles into Chemical Policy and Best Practices
Syeda Razia
(Bangladesh University of Engineering and Technology)
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Em breve mais informações
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