Article
Chemistry, Physical
Katelyn M. Duncan, Rhys C. Trousdale, Cristina N. Gonzales, William H. Steel, Robert A. Walker
Summary: Time-resolved fluorescence spectroscopy in combination with differential scanning calorimetry (DSC) was used to investigate the chemical interactions of l-phenylalanine with phosphatidylcholine vesicles. The study reveals l-phenylalanine's affinity for lipid bilayers, the effects of its partitioning on bilayer properties, its solvation within the bilayer, and the quantity of l-phenylalanine in the local solvation environment. Results show that l-phenylalanine reduces the heat required to melt saturated phosphatidylcholine bilayers but does not change the transition temperature. Moreover, the study provides insights into the structure and chemistry of membrane-soluble peptides and selected membrane proteins.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Jan Pawlas, Jon H. Rasmussen
Summary: This study demonstrates the feasibility of using Fmoc/t-Bu solid-phase peptide synthesis under aqueous conditions, utilizing a resin and solvent combination to improve resin swelling and solubility of starting materials. By developing a waste recycling method, the reuse of waste was achieved, reducing the amount of starting materials used and replacing hazardous solvents with an aqueous medium.
Article
Chemistry, Multidisciplinary
Valeria Tagliavini, Claudia Honisch, Simona Serrati, Amalia Azzariti, Marcella Bonchio, Paolo Ruzza, Mauro Carraro
Summary: Polyoxometalates (POMs) and peptides can be conjugated to form novel bio-hybrids with potential applications as nanodrugs. Functionalizing an Anderson-Evans POM with a bombesin analog peptide and adding a tailored spacer between the two moieties can enhance cancer cell recognition capability.
Article
Multidisciplinary Sciences
Clement Bodineau, Mercedes Tome, Sarah Courtois, Ana S. H. Costa, Marco Sciacovelli, Benoit Rousseau, Elodie Richard, Pierre Vacher, Carlos Parejo-Perez, Emilie Bessede, Christine Varon, Pierre Soubeyran, Christian Frezza, Piedad del Socorro Murdoch, Victor H. Villar, Raul Duran
Summary: In this study, the authors demonstrate that reactivation of AMPK can inhibit glutamine-dependent activation of mTORC1 and glutamoptosis, revealing a dual metabolic connection between glutamine metabolism and mTORC1 through two pathways. This finding has significant implications for the design of future therapeutic strategies for diseases such as cancer.
NATURE COMMUNICATIONS
(2021)
Article
Food Science & Technology
Bin Jiang, Linlin Wang, Mengsihan Zhu, Shuang Wu, Xiaojing Wang, Dongmei Li, Chunhong Liu, Zhibiao Feng, Bo Tian
Summary: This study developed a highly efficient and simple separation technology for extracting exopolysaccharides from L. actobacillus plantarum, revealing their antioxidant, anti-gout, and hypoglycemic activities, along with their role as competitive inhibitors of alpha-amylase and alpha-glucosidase.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Analytical
Weixian Deng, Jihui Sha, Fanglei Xue, Yasaman Jami-Alahmadi, Kathrin Plath, James Wohlschlegel
Summary: In this study, we characterized the molecular factors underlying peptide separation in high-field asymmetric waveform ion mobility spectrometry (FAIMS) and used machine learning to predict optimized compensation voltage values for peptides. These findings improve parallel reaction monitoring workflows and highlight the utility of FAIMS in targeted proteomic applications.
ANALYTICAL CHEMISTRY
(2022)
Article
Engineering, Chemical
Petr A. Korchak, Evgenia A. Safonova, Alexey Victorov
Summary: This study systematically investigates experimental data and predictive capabilities of a family of aqueous biphasic systems. Improvements in the model are suggested for better performance. Results show that different chemical compositions affect the partitioning coefficients of L-tryptophan, indicating high potential for the extraction of biocomponents.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Chemistry, Physical
Samaneh Fathi Darani, Farzaneh Ghazizadeh Ahsaie, Gholamreza Pazuki, Shiva Abdolrahimi
Summary: This study investigated the potential use of copolymers in aqueous two-phase systems, and the effect of UCON copolymer ATPS on the partitioning of doxorubicin. The results showed that the molecular weight of dextran affects the partition coefficient, while pH has minimal impact, and increasing the weight fraction of UCON enhances the partitioning of doxorubicin.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Sukriye Cakmak, Sevgi Kansiz, Mohammad Azam, Cem Cuneyt Ersanli, Onder Idil, Aysel Veyisoglu, Hasan Yakan, Halil Kutuk, Arunabhiram Chutia
Summary: A novel heterocyclic amide derivative was synthesized and investigated for its significant antioxidant and antimicrobial properties through experimental and computational studies.
Article
Environmental Sciences
Judia Magthalin Christopher, Monica Mohan, Rajalakshmi Sridharan, Swarnalatha Somasundaram, Sekaran Ganesan
Summary: Chlorophenols are widely used in many industries for their important functions, but their prolonged usage poses challenges in removal from water and soil. Amino acid-enhanced cationic biosurfactant obtained from Bacillus axarquiensis showed promising ability in effectively removing 2,4-dichlorophenol from water and soil, with removal efficiencies of 93-96% and 80-85% respectively. Immobilization of the biosurfactant on a solid support matrix enhanced stability and allowed for up to 8 cycles of reuse.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Biochemistry & Molecular Biology
Mei Han, Shizhen Wang, Liangdan Wu, Junhu Feng, Yujia Si, Xiaoning Liu, Tao Su
Summary: This study found that exogenous Asn can promote the growth and photosynthesis activities of poplar trees, and it can also alter the amino acid, nitrogen and carbon content, as well as nitrate and ammonia content. Additionally, exogenous Asn inhibits root growth and causes complex changes in enzyme activities and gene transcription patterns associated with nitrogen and carbon metabolism.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Review
Food Science & Technology
Erwin G. Torres Sanchez, Blanca Hernandez-Ledesma, Luis-Felipe Gutierrez
Summary: Sacha Inchi is a superfood with high nutritional value, containing abundant polyunsaturated oil, protein, fiber, minerals, and other beneficial compounds. This review summarizes the characteristics, applications, and activity of Sacha Inchi oil press-cake, as well as explores its potential value in agro-industry and the significance of alternative plant-based protein.
FOOD REVIEWS INTERNATIONAL
(2023)
Article
Green & Sustainable Science & Technology
Dipak Kumar Kanaujiya, Kannan Pakshirajan
Summary: This study investigates the biodegradation of DMP and DEP using a TPPB system. The results demonstrate that Cellulosimicrobium funkei can efficiently degrade these endocrine disrupting chemicals, highlighting the potential of the TPPB system for detoxification in the environment.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Engineering, Chemical
Ye Li Mo, Michael Fischlschweiger, Tim Zeiner
Summary: This study focuses on the modeling and analysis of polymeric aqueous two-phase systems (ATPS) with an immobilized phase. By using a model system composed of polyethylene glycol (PEG) and Dextran, the ATPS with the immobilized Dextran was successfully simulated using the Koningsveldt-Kleintjens model combined with a novel incompressible elastic term. The model was validated through sensitivity analysis and experiments, showing good accordance with experimental data.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Takayuki Katoh, Hiroaki Suga
Summary: The study demonstrates the feasibility of multiple and consecutive incorporations of alpha-aminoxy/alpha-hydrazino acids with different configurations into peptides during ribosomal translation, including macrocyclic peptide scaffolds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Engineering, Chemical
Rami S. Arafah, Antonio E. Riberio, Alirio E. Rodrigues, Luis S. Pais
Summary: This study successfully separated multiple stereoisomers of nadolol using high pH reversed-phase fixed-bed and simulated moving bed preparative chromatographic techniques, and transformed them into two high-purity stereoisomers. The feasibility of this method was validated through experimental results.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
William M. Godoy, Leandro G. Aguiar, Nuno A. B. S. Graca, Alirio E. Rodrigues
Summary: This study synthesized sulfonated polymer resins based on styrene and TMPTA and assessed their catalytic efficiency in glycerol acetylation. A factorial design was employed to study the effects of cross-linker percentage and cross-linker feed time. Lower cross-linker percentages resulted in higher catalytic efficiencies, and there was a linear correlation between catalytic efficiency and cross-linker percentage. Statistical and kinetic models were developed to represent the experimental results and support resin formulation improvement strategies. The TMPTA feed time positively influenced catalytic efficiency, indicating the importance of resin micro- and macrostructure.
Article
Engineering, Chemical
Rafael O. M. Dias, Idelfonso B. R. Nogueira, Alexandre F. P. Ferreira, Alirio E. Rodrigues, Ana M. M. Ribeiro
Summary: In a simulated moving bed (SMB), regeneration is achieved by using a desorbent and recovering it in downstream separations. The proper selection of an appropriate adsorbent/desorbent pair is crucial for the effectiveness of the SMB process. By developing a parameter called SMB performance indicator (SPI) using readily available literature data, the selection process can be fast and easily accomplished. This metric considers adsorption selectivity, adsorption capacity, and enthalpy ratio, and can determine the most suitable adsorbent/desorbent pair for a specific gas separation in SMB through simple calculations.
Review
Chemistry, Multidisciplinary
Mohsen Karimi, Mohammad Shirzad, Jose A. C. Silva, Alirio E. Rodrigues
Summary: In response to the increasing negative impact of climate change caused by human activities, advanced methods are needed to reduce carbon dioxide emissions. In this review, we focus on adsorption technologies for carbon dioxide capture, including materials, techniques, processes, additive manufacturing, direct air capture, machine learning, life cycle assessment, commercialization, and scale-up.
ENVIRONMENTAL CHEMISTRY LETTERS
(2023)
Article
Food Science & Technology
Luana P. Queiroz, Carine M. Rebello, Erbet A. Costa, Vinicius V. Santana, Bruno C. L. Rodrigues, Alirio E. Rodrigues, Ana M. Ribeiro, Idelfonso B. R. Nogueira
Summary: This work proposes a novel framework based on scientific machine learning to tackle an emerging problem in flavor engineering and industry. By combining generative and reinforcement learning models, new flavor molecules are designed. The potential of the framework is validated by evaluating the synthesis accessibility, number of atoms, and likeness to natural or pseudo-natural products of the designed molecules.
Article
Chemistry, Multidisciplinary
Vinicius V. Santana, Marcio A. F. Martins, Jose M. Loureiro, Ana M. Ribeiro, Luana P. Queiroz, Carine M. Rebello, Alirio E. Rodrigues, Idelfonso B. R. Nogueira
Summary: Model-based optimization of SMBRs requires efficient solvers and significant computational power. Despite the applications of artificial neural networks (ANNs) in modeling SMB units, their usage in reactive SMBRs is limited. The evaluation of the representation capability of ANNs is an open issue, and the optimal assessment using surrogate models remains unresolved. The main contributions of this study are the optimization of SMBRs based on deep recurrent neural networks (DRNNs) and the characterization of feasible operation regions using metaheuristic techniques. The results show that DRNN-based optimization can effectively address complex optimization problems while achieving optimality.
Article
Chemistry, Multidisciplinary
Beatriz C. Silva, Carine Menezes Rebello, Aliirio E. Rodrigues, Ana M. Ribeiro, Alexandre F. P. Ferreira, Idelfonso B. R. Nogueira
Summary: This study proposes a novel strategy for the design of adsorption heat pumps, which involves simultaneous optimization and material screening using the particle swarm optimization (PSO) approach. The proposed framework effectively evaluates different adsorbents and temperature intervals to find the optimal solution in terms of maximum performance and minimum heat supply cost. This approach provides a fast and intuitive evaluation of multiple design and operation variables.
Article
Chemistry, Multidisciplinary
Luana P. Queiroz, Carine M. Rebello, Erbet A. Costa, Vinicius V. Santana, Bruno C. L. Rodrigues, Alirio E. Rodrigues, Ana M. Ribeiro, Idelfonso B. R. Nogueira
Summary: This study proposes a scientific machine learning (SciML) approach to design new flavor molecules. By analyzing and studying the molecules generated by the model, it was found that this method has the potential for application in the flavor industry.
Article
Chemistry, Analytical
Julia C. Kessler, Yaidelin A. Manrique, Isabel M. Martins, Alirio E. Rodrigues, Maria Filomena Barreiro, Madalena M. Dias
Summary: Supercritical carbon dioxide fluid extraction (SFE-CO2) was used to efficiently extract bioactive compounds from Moringa oleifera L. tree (Mo) seeds, leaves, and roots. The optimal extraction conditions were found to be at a pressure above 195 bar. Gas chromatography-mass spectrometer (GC-MS) analysis revealed that seed extracts contained a high amount of oleic acid, leaf extracts contained linolenic acid, nonacosane, and α-tocopherol, and root extracts contained sterol molecules. The highest extraction yield for oleic acid and α-tocopherol was achieved at 250 bar and 45? for seed extracts, and 195 bar and 55? for leaf extracts.
Article
Engineering, Environmental
A. Catarina Faria, C. V. Miguel, Alexandre F. P. Ferreira, A. E. Rodrigues, Luis M. Madeira
Summary: In this study, nickel-substituted hydrotalcites promoted with cesium were synthesized and their dual-function ability as a high-temperature CO2 adsorbent and methanation catalyst was evaluated. It was found that materials impregnated using the direct impregnation method had a higher number of basic sites, which facilitated greater CO2 sorption. However, these materials exhibited lower selectivity towards methane, resulting in a higher CO formation. Therefore, materials prepared using the powder impregnation method were chosen for further investigation in a parametric study.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Applied
Julia C. Kessler, Vanessa Vieira, Isabel M. Martins, Yaidelin A. Manrique, Patricia Ferreira, Ricardo C. Calhelha, Andreia Afonso, Lillian Barros, Alirio E. Rodrigues, Madalena M. Dias
Summary: This study explores the potential of almond, hazelnut, and walnut extracts as food flavouring agents, suggesting a new added-value application for lower quality or excess production fruits. The extracts were characterized and evaluated, and almond extract was identified as the most promising ingredient to increase the sensory value of food products.
Article
Engineering, Chemical
Albertina G. Rios, Ana M. Ribeiro, Aliïrio E. Rodrigues, Alexandre F. P. Ferreira
Summary: The separation of bovine serum albumin and myoglobin was achieved using ion-exchange simulated moving bed. The study demonstrates the possibility of obtaining high purity, recovery, and productivity under specific operating conditions.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Engineering, Chemical
Rute Seabra, Rafael O. M. Dias, Maria J. Regufe, Ana Mafalda Ribeiro, Alirio E. Rodrigues, Alexandre F. P. Ferreira
Summary: This study focused on the separation of propane and propylene using carbon dioxide as a desorbent and binder-free zeolite 13X as an adsorbent. The gas-simulated moving bed (SMB) technology was utilized at a mild temperature (323 K). The adsorption equilibrium isotherms were measured, and breakthrough experiments were conducted to obtain binary adsorption equilibrium data. The experiment demonstrated the production of high-purity propylene with a high recovery using binder-free zeolite 13X and carbon dioxide as the desorbent at a mild temperature (323 K).
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Environmental Sciences
P. Mourao, C. Cassavela, I. Cansado, J. Castanheiro, L. Ribeiro, F. Pagnanelli
Summary: In this study, granulated samples were prepared to enhance the adsorption capacity of bisphenol A. The samples were characterized structurally and chemically, and the results showed that stable granulated adsorbents with good bisphenol A adsorption capacity can be prepared using different commercial silica binders.
INTERNATIONAL JOURNAL OF ENVIRONMENTAL SCIENCE AND TECHNOLOGY
(2023)
Article
Multidisciplinary Sciences
Luis M. C. Oliveira, Vinicius V. Santana, Alirio E. Rodrigues, Ana M. Ribeiro, Idelfonso B. R. Nogueira
Summary: This study developed a framework based on scientific machine learning strategies and utilized transfer learning to predict odor thresholds for chemical substances. Results showed that the transfer learning-based strategy displayed better predictive performance.
