Article
Biochemistry & Molecular Biology
Anam Amin Shami, Muhammad Tayyab Akhtar, Muhammad Waseem Mumtaz, Hamid Mukhtar, Amna Tahir, Syed Shahzad-ul-Hussan, Safee Ullah Chaudhary, Bushra Muneer, Hafsa Iftikhar, Marios Neophytou
Summary: Genetic engineering of cotton has provided some resistance against insect attacks, but the metabolites responsible for this resistance need to be explored further.
Review
Plant Sciences
Mohamed A. Salem, Jian You Wang, Salim Al-Babili
Summary: Plants release chemical compounds into the rhizosphere, which plays important roles in inhibiting harmful microorganisms and promoting beneficial microbes, with applications in crop yield and phytoremediation.
FRONTIERS IN PLANT SCIENCE
(2022)
Article
Food Science & Technology
Katja H. Kaltenbach, Thomas Kuballa, Ute Schroeder, Jan Fritsche, Mirko Bunzel, Ilka Haase
Summary: Differentiation of fresh and frozen-thawed fish is feasible using non-targeted NMR in combination with principal components analysis and linear discriminant analysis. The most promising approaches were identified through analysis of different fish samples and NMR methods.
EUROPEAN FOOD RESEARCH AND TECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Karolina Anna Mielko, Slawomir Jan Jablonski, Lukasz Pruss, Justyna Milczewska, Dorota Sands, Marcin Lukaszewicz, Piotr Mlynarz
Summary: The research compared the metabolisms of two P. aeruginosa strains, showing that the differences between drug-resistant and drug-susceptible strains mainly lie in the turnover of amino acids. This study provides valuable information to complement research on drug resistance in P. aeruginosa.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Charalampos Kolvatzis, Paris Christodoulou, Ioannis Kalogiannidis, Konstantinos Tsiantas, Ioannis Tsakiridis, Charikleia Kyrkou, Antigoni Cheilari, Nikolaos S. Thomaidis, Panagiotis Zoumpoulakis, Apostolos Athanasiadis, Alexandra-Maria Michaelidou
Summary: This study analyzed the metabolic composition of amniotic fluid collected from pregnant women during the second trimester and identified potential biomarkers for predicting and diagnosing preterm delivery. Pathway analysis also revealed the metabolic pathways associated with the risk of preterm delivery.
Article
Biochemistry & Molecular Biology
Silke S. Heinzmann, Melanie Waldenberger, Annette Peters, Philippe Schmitt-Kopplin
Summary: The study utilizes cluster analysis approach to guide peak assignment in NMR spectra via statistical correlations, providing important information for metabolite annotation; Unknown peaks forming hypotheses with known peaks facilitate metabolite identification; Metabolite identification is performed through database search, 2D NMR analysis and standard spiking, increasing identification yield in NMR spectra.
Article
Chemistry, Applied
Ana Isabel Tristan, Ana Cristina Abreu, Luis Manuel Aguilera-Saez, Araceli Pena, Andres Conesa-Bueno, Ignacio Fernandez
Summary: FTIR and NMR metabolomics approaches were used to characterize the metabolic changes in Spanish melon landraces during ripening, with NMR outperforming FTIR in discriminating between different varieties. Increased fruit maturation led to specific changes in metabolite levels, impacting the antioxidant capacity of fruits.
Article
Chemistry, Analytical
Silvio Waschina, Karsten Seeger
Summary: Imaging the distribution of metabolites is important in diagnostics and research. NMR spectroscopy is limited to larger structures, while mass spectrometry imaging is well-established with smaller pixel sizes. To overcome time-consuming extraction procedures, a new protocol was established to complement NMR metabolomics.
ANALYTICA CHIMICA ACTA
(2022)
Review
Food Science & Technology
Valentina Maestrello, Pavel Solovyev, Luana Bontempo, Luisa Mannina, Federica Camin
Summary: Extra virgin olive oil (EVOO) is a high-quality product that has become a target of food fraud in recent years. The use of nuclear magnetic resonance (NMR) spectroscopy is reviewed as a reliable and rapid tool to authenticate EVOOs and detect adulteration and mislabeling.
COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY
(2022)
Article
Obstetrics & Gynecology
Aswathi Cheredath, Shubhashree Uppangala, C. S. Asha, Ameya Jijo, Vani R. Lakshmi, Pratap Kumar, David Joseph, Nagana G. A. Gowda, Guruprasad Kalthur, Satish Kumar Adiga
Summary: This study demonstrates that combining metabolomic and embryologic data with machine learning models improves the accuracy in predicting embryo implantation potential. Specifically, the use of a custom artificial neural network model with metabolomic data provided 100% accuracy in predicting implantation potential.
REPRODUCTIVE SCIENCES
(2023)
Article
Fisheries
Hua Yang, Xueni Qiu, Yun Zhao, Yangfang Ye, Weiwei Song, Changkao Mu, Ronghua Li, Chunlin Wang
Summary: This study investigated the optimal anesthetic concentration for cuttlefish using NMR and HPLC analysis. They found that ethanol at 10-30 mL L-1 successfully anesthetized cuttlefish, with recovery observed after 60 minutes at 10 mL L-1 concentration. Cuttlefish also reached a sedative state below 5 mL L-1 ethanol, with a maximum exposure time of 270 minutes. The action of ethanol led to changes in neurotransmitter levels, with increased inhibitory neurotransmitters and decreased excitatory neurotransmitters observed.
Article
Nutrition & Dietetics
Christina Decker, Reiner Krapf, Thomas Kuballa, Mirko Bunzel
Summary: Meat species of raw and processed meat products were accurately classified using H-1 NMR spectroscopy and multivariate data analysis. Different analytical methods were used to predict and identify the types of meat, with slightly lower accuracy for processed meat products. Classification using polar chemical markers was effective, and integrating data on polar and non-polar metabolites improved prediction accuracy.
FRONTIERS IN NUTRITION
(2022)
Article
Food Science & Technology
Dahye Yoon, Woo-Cheol Shin, Seon-Min Oh, Bo-Ram Choi, Dae Young Lee
Summary: This study compared the metabolic profiles of Korean, Chinese, and Japanese ginseng, revealing significant differences depending on the cultivation environment. Different types of ginsenosides were found to be predominant in ginseng cultivated in each country, indicating the importance of considering origin when using ginseng for medicinal purposes. The results provide valuable insights for future ginseng research.
FOOD RESEARCH INTERNATIONAL
(2022)
Article
Agriculture, Multidisciplinary
Paola Bambina, Alberto Spinella, Giuseppe Lo Papa, Delia Francesca Chillura Martino, Paolo Lo Meo, Onofrio Corona, Luciano Cinquanta, Pellegrino Conte
Summary: The soil effect on the micro-component composition of Nero d'Avola wines obtained from different locations was investigated using 1H NMR-based metabolomics. The study found that the differences among wines were not only due to the concentrations of various analytes but also to the characteristics of the H-bond network. Furthermore, the H-bond network was found to be related to the soil properties.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Vanessa Tagliatti, Caroline Descamps, Margaux Lefevre, Jean-Marie Colet
Summary: This study investigated the potential of metabolomic profiling of allantoic fluid (AF) from ex ovo chick embryos to predict the hepatotoxicity of valproate (VPA). The results showed that VPA induced steatosis and caused changes in metabolites related to lipid metabolism, glutamine levels, lysine levels, and choline accumulation. The study suggests that the ex ovo chick embryo model combined with metabolomic assessment of AF can rapidly predict drug-induced hepatotoxicity.
Review
Chemistry, Analytical
Ana M. Salmeron, Ana Tristan, Ana C. Abreu, Ignacio Fernandez
ANALYTICAL CHEMISTRY
(2022)
Article
Agriculture, Multidisciplinary
F-J Granados-Ortiz, F. M. Arrabal-Campos, A. Lopez-Martinez, F. D. Molina-Aiz, A. Pena-Fernandez, D. L. Valera
Summary: This paper presents a mathematical approach to computationally reconstruct the 3D structure of insect-proof screens and estimate the volumetric porosity. The results demonstrate that this approach outperforms the standard two-dimensional modeling and provides insights into the relationship between porosity and pressure drop. Additionally, the propagation of experimental uncertainty in comparing different screens is also discussed.
COMPUTERS AND ELECTRONICS IN AGRICULTURE
(2022)
Article
Environmental Sciences
M. J. Martinez Bueno, M. Garcia Valverde, M. M. Gomez-Ramos, J. A. Salinas Andujar, D. Barcelo, A. R. Fernandez-Alba
Summary: The study found various emerging organic contaminants in tomatoes irrigated with contaminated reclaimed water, but the concentration levels of these contaminants do not pose a risk to human health.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Agronomy
Maria angeles Moreno-Teruel, Francisco Domingo Molina-Aiz, Alejandro Lopez-Martinez, Patricia Marin-Membrive, Araceli Pena-Fernandez, Diego Luis Valera-Martinez
Summary: This study analyzed the effects of different cooling systems on the microclimate, photosynthetic activity, and yield of tomato crop. It was found that natural ventilation had higher photosynthetic activity and production compared to evaporative and fog systems. The energy and water consumption from active cooling systems did not result in significant improvements in photosynthetic activity or crop production.
Article
Energy & Fuels
Aiman Albatayneh, Adel Juaidi, Ramez Abdallah, Araceli Pena-Fernandez, Francisco Manzano-Agugliaro
Summary: The application of a fair tariff for electricity pricing is aimed at controlling demand and promoting sustainability. The reorganisation of electrical subsidies within the residential sector has considerable importance for the country's economy and effective management of electricity consumption. The analysis results showed that customers who received subsidies consumed significantly more energy than regular homeowners.
Article
Polymer Science
Cristina Ruiz Martinez, Juana M. M. Perez, Francisco M. M. Arrabal-Campos, Antonio Rodriguez-Dieguez, Duane Choquesillo-Lazarte, Juan A. A. Martinez-Lao, Manuel A. A. Ortuno, Ignacio Fernandez
Summary: We report the synthesis and characterization of three novel lithium complexes (2b-d) with different hydrazonyl anthraquinonic backbones, tested in the ring-opening polymerization (ROP) of lactide and epsilon-caprolactone for synthesizing cyclic polymers. Various analytical methods, including NMR, MS spectrometry, and FTIR spectroscopy, are used to identify the catalyst structures. The resulting cyclic polymers are characterized using MALDI-TOF, end-group NMR analysis, and PGSE diffusion NMR. Differences in selectivity (linear vs cyclic) are observed when using ligand backbones with different abilities and/or steric restrictions.
Article
Environmental Sciences
M. Garcia-Valverde, A. M. Aragones, J. A. Salinas Andujar, M. D. Gil Garcia, M. J. Martinez-Bueno, A. R. Fernandez-Alba
Summary: The use of reclaimed water for crop irrigation in Mediterranean coastal areas was studied for its impact on the water-soil-plant continuum and the associated human risks. Chemicals of emerging concern (CECs) were detected in the reclaimed water, soil, and vegetable samples. However, the accumulation rate of CECs in vegetables irrigated with reclaimed water was very low (1%), posing no risk to human health. Further studies are needed to provide more scientific data on the safety of using reclaimed water for crop irrigation.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Agronomy
Eugenio Avalos-Sanchez, Maria angeles Moreno-Teruel, Francisco Domingo Molina-Aiz, Alejandro Lopez-Martinez, Araceli Pena-Fernandez, Fatima Baptista, Diego Luis Valera-Martinez
Summary: This study analyzed the effect of an experimental film cover with high transmittance and high light diffusivity on the development of fungal diseases in cucumber crops. The results showed that the experimental film had a smaller effect on powdery mildew but a greater effect on downy mildew and gummy stem blight compared to the commercial film.
Article
Materials Science, Multidisciplinary
Rim Bouhajeb, Ana Cristina Abreu, Salima Selmi, Christoph Gerke, Ahlem Bellalah, Alexis Alvear-Jimenez, Laura Lozano Chamizo, Marzia Marciello, Gonzalo Villaverde, Ana Isabel Tristan, Leila Chekir-Ghedira, Ignacio Fernandez, Rafael Contreras-Caceres
Summary: We have developed an implantable dressing material made of electrospun poly(lactic acid) nanofibers containing the hydroethanolic extract of T. ramosissimum. The material showed improved wound-healing capabilities, reduced injury area, and high wound closure percentage in in vivo experiments on mice. The chemical structures of the main released compounds were identified using nuclear magnetic resonance.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Perrine M. R. Wingering, Silvia Hohnstein, Felix Kraemer, Melina E. A. Dilanas, Cristina Ruiz-Martinez, Ignacio Fernandez, Frank Breher
Summary: The synthesis and characterization of rare earth element complexes (Ln=Y, La, Sm, Lu, Ce) of several podant & kappa;N-6-coordinating ligands were conducted. The structural properties of the complexes were studied using X-ray diffraction and advanced NMR methods. To evaluate the donor capabilities of the ligands, cyclic voltammetry, absorption experiments, and Y-89 NMR chemical shift analysis were performed. Quantum chemical calculations were also used to support the experimental findings. Furthermore, coordination competition studies were carried out using H-1 and P-31 NMR spectroscopy to investigate the correlation with donor properties and selectivity.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Biophysics
Ana Isabel Tristan, Encarnacion Gonzalez-Flores, Ana del Mar Salmeron, Ana Cristina Abreu, Octavio Caba, Cristina Jimenez-Luna, Consolacion Melguizo, Jose Prados, Ignacio Fernandez
Summary: Nuclear magnetic resonance metabolomics was used to analyze blood serum from healthy individuals and those with metastatic colorectal cancer (CRC). The analysis revealed specific metabolite changes associated with CRC, including increased levels of lactate, glutamate, and pyruvate, and decreased levels of certain amino acids and total fatty acids. Biomarker ratios like glutamate-to-glutamine and pyruvate-to-alanine were related to CRC. Glutamate was also linked to progression-free survival and both glutamate and 3-hydroxybutyrate were risk factors for metastatic CRC. Gas chromatography and pathway analysis were used to study fatty acid profiles and metabolic processes in CRC. Certain metabolites in the blood of CRC patients were correlated with clinical features.
NMR IN BIOMEDICINE
(2023)
Article
Biochemistry & Molecular Biology
Jennifer M. Castro, Mercedes G. Montalban, Noelia Martinez-Perez, Daniel Domene-Lopez, Juana M. Perez, Francisco M. Arrabal-Campos, Ignacio Fernandez, Ignacio Martin-Gullon, Juan C. Garcia-Quesada
Summary: This study used oligomers based on glycerol citrates to reduce plasticizer migration in potato-based TPS/PVA blends, while maintaining high swelling degree and providing high mechanical performance. This approach, using melt-mixing technique, represents a first step towards industrial scalability.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Chemistry, Multidisciplinary
Bernardo Sanchez-Sevilla, Melissa Olmedo-Navarro, Juana M. Perez, Juan A. Martinez-Lao, Ignacio Fernandez
Summary: This study explores the revalorization of olive wood shell stone as a biocomposite material. The functionalization of the lignocellulosic matrix with different coupling agents improves adhesion with the resin. Various characterization techniques were used to analyze the resulting materials, which demonstrate promising mechanical and thermal properties.
Article
Chemistry, Analytical
Ana Belen Ruiz-Muelle, Felipe Leston-Cabeo, Ignacio Fernandez
Summary: A robust and validated qQNMR methodology using chlorine-35 as the quadrupolar nucleus has been introduced for the determination and quantification of perchlorate in epoxy resins. The method showed excellent accuracy and robustness, with no matrix effect. It was successfully applied to epoxy resins containing different types of perchlorate precursors.
Article
Computer Science, Information Systems
Pablo Jose Hueros-Barrios, Francisco Javier Rodriguez Sanchez, Pedro Martin, Carlos Jimenez, Ignacio Fernandez
Summary: This paper investigates the cybersecurity issues of advanced nanogrids and proposes a framework to identify assets, assess threats, quantify risks, and implement protection mechanisms. The effectiveness of the framework is demonstrated through a cybersecurity analysis of an experimental testbed. A cost-benefit analysis is also conducted to provide recommendations for achieving a balance between the costs of implementing security mechanisms and the losses resulting from unwanted intrusions.
INTERNET OF THINGS
(2022)
