Article
Biochemical Research Methods
Antonio Federico, Michele Fratello, Alisa Pavel, Lena Mobus, Giusy del Giudice, Angela Serra, Dario Greco
Summary: Drug repurposing, which involves the re-usage of approved drugs for different therapeutic indications, has limited translatability into clinical practice. The lack of integration between mechanistic and chemocentric approaches is one of the major obstacles. This study introduces DREAM, an R package that integrates these two approaches and provides druggability evaluation and optimized combination therapy predictions.
Article
Biochemistry & Molecular Biology
Sally Prueschenk, Michael Majer, Rainer Schreiber, Jens Schlossmann
Summary: IRAG2, also known as Jaw1 or LRMP, interacts with IP3 receptors to modulate intracellular Ca2+ signaling and exocrine pancreatic function. Loss of IRAG2 results in decreased basal levels of intracellular Ca2+ and impacts amylase secretion. This suggests that IRAG2 plays a role in regulating exocrine pancreatic function through modulating intracellular Ca2+ signaling.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Wei Zhao, Lanying Pan, Antony Stalin, Jianwei Xu, Liren Wu, Xianfu Ke, Yuan Chen
Summary: 2-Aminoethoxydiphenyl borate (2-APB), a multitarget compound, acts as an inhibitor of three human K(V)1 channels. The effects of 2-APB on K(V)1.4 channel depend on specific amino acids in the cavity region and N-terminal. This study reveals new molecular targets and provides insights into the diverse bioactivities of 2-APB.
Article
Chemistry, Physical
M. Peksen, H. Spliethoff
Summary: Reaching CO2 reduction goals for 2030 and beyond requires cross-sectoral information sharing and transdisciplinary research collaborations. The International Future Laboratory for Hydrogen Economy at the Technical University of Munich (TUM) has proposed a network model for an international green hydrogen economy based on three pillars: electrically assisted gasification, reversible solid oxide cells, and biocatalytic synthesis. Advanced artificial intelligence (AI)-based machine learning approaches are utilized to evaluate and optimize the preparation of clean syngas for solid oxide cells, contributing to sustainable research and r-SOC operation in a safe and consistent manner.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Inorganic & Nuclear
Marjaana Taimisto, Tom Bajorek, J. Mikko Rautiainen, Tapani A. Pakkanen, Raija Oilunkaniemi, Risto S. Laitinen
Summary: The pathways to the formation of a series of [RuCl2(CO)(2)(ERR ')(2)] complexes have been explored experimentally and computationally. The results show that the reaction rate is faster in THF and the highest yield is observed for the telluroether complexes. The nature of the solvent does not affect the reaction path. The substitution of one CO ligand by the second ERR ' is the rate-determining step. The formation of [RuCl2(CO)(3)(THF)] is observed in THF, but it is not necessary for the dissociation of [RuCl2(CO)(3)](2).
DALTON TRANSACTIONS
(2022)
Article
Biochemistry & Molecular Biology
Erni Sulistiyani, James M. Brimson, Ajjima Chansaenroj, Ladawan Sariya, Ganokon Urkasemsin, Sornjarod Oonsiri, Tewin Tencomnao, Anjalee Vacharaksa, Risa Chaisuparat, Joao N. Ferreira
Summary: Antioxidant agent EGCG shows potential benefits in promoting proliferation and protecting salivary gland epithelia, with future studies aiming to explore the use of nanocarriers to enhance oral bioavailability.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Cell Biology
Yasmin Kayal, Uri Barash, Inna Naroditsky, Neta Ilan, Israel Vlodavsky
Summary: Heparanase 2 (Hpa2) is a close homolog of heparanase but lacks its enzymatic activity. Mutations of HPSE2 are associated with urofacial syndrome (UFS), causing abnormal facial expression and bladder dysfunction. In a Hpa2-KO mouse model, the absence of Hpa2 leads to decreased expression of key pancreatic transcription factors, reduced pancreas weight, increased inflammation, and morphological changes in the pancreas. Furthermore, Hpa2 deficiency promotes the formation of pancreatic intraepithelial neoplasia (PanIN), a precursor of pancreatic ductal adenocarcinoma (PDAC).
CELL DEATH & DISEASE
(2023)
Editorial Material
Endocrinology & Metabolism
Shirin Geravandi, Amin Ardestani
Summary: This study reveals that aberrant crosstalk between acinar cells and beta cells in the pancreas has a detrimental effect on the viability of beta cells in type 2 diabetes.
TRENDS IN ENDOCRINOLOGY AND METABOLISM
(2023)
Article
Physics, Particles & Fields
Georg Herzog, Helios Sanchis-Alepuz
Summary: The study focuses on solutions of stellar structure equations in modified theories of gravity, particularly in the context of neutron stars. By exploring a range of viable values of alpha and beta, the potential impacts of R-2 and Q terms are illustrated. Results suggest that modifications of general relativity can have a significant effect on the properties of stars under certain combinations of parameters and equations of state, indicating that astrophysical observations may serve as discriminators of modifications of General Relativity as the accuracy of determination of neutron star equations of state increases.
EUROPEAN PHYSICAL JOURNAL C
(2021)
Article
Chemistry, Multidisciplinary
Magdalena Kaliszczak, Pierrick Durand, Emmanuel Wenger, Manuel Dossot, Franca Jones, Damien W. M. Arrigan, Gregoire Herzog
Summary: Controlled formation of cocrystals of caffeine and 1-hydroxy-2-naphthoic acid was achieved at the interface between two immiscible electrolyte solutions under chemical polarisation, leading to the selective cocrystallisation as confirmed by X-ray diffraction and Raman spectroscopy. Positive interfacial potentials favored the formation of a specific polymorphic form of caffeine:1-hydroxy-2-naphthoic acid cocrystal. This electrochemically controlled cocrystallisation approach opens up new possibilities for drug development.
Article
Pharmacology & Pharmacy
Ahmed Alaa Kassem, Marwa Hasanein Asfour, Sameh Hosam Abd El-Alim, Mohamed Abdelrazik Khattab, Abeer Salama
Summary: The goal of this study was to develop and evaluate semisolid caffeine (CAF) loaded nanostructured lipid carriers (NLCs) for topical treatment of cellulite. The optimized CAF-NLC formulation showed favorable properties and enhanced skin retention of CAF compared to plain CAF gel and marketed CAF gel. This formulation also demonstrated improved anti-cellulite activity and promoted lipolysis.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Biochemistry & Molecular Biology
Amin O. Elzupir
Summary: This study investigates the inhibitory effect of caffeine and caffeine-containing pharmaceuticals on SARS-CoV-2 3-chymotrypsin-like protease (3CL(pro)). The study finds that seven FDA-approved drugs show good binding affinity to the catalytic residues of 3CL(pro). This in silico study demonstrates the potential of inexpensive drugs as inhibitors against 3CL(pro).
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Nutrition & Dietetics
Maria Merino-Fernandez, Veronica Giraldez-Costas, Jaime Gonzalez-Garcia, Jorge Gutierrez-Hellin, Cristina Gonzalez-Millan, Michelle Matos-Duarte, Carlos Ruiz-Moreno
Summary: The effects of caffeine were investigated in traditional jiu-jitsu athletes, and it was found that caffeine intake improved throwing performance, fatigue perception, and power and endurance perception in the Special Judo Fitness Test. However, it did not seem to have an effect on offensive and defensive technical actions during combat.
Article
Chemistry, Multidisciplinary
Zhi-Yuan Yue, Rong-Meng Liao, Wang Luo, Na Wang, Le-Ping Miao, Heng-Yun Ye, Chao Shi
Summary: Organic-inorganic hybrid molecular ferroelectrics have attracted attention in the research of ferroelectric materials. Recently, rare hybrid bimetal molecular ferroelectrics have been explored to achieve excellent ferroelectric properties. A chiral nitrite-based hybrid bimetal molecular ferroelectric material was reported, showing a ferroelectric-paraelectric phase transition at 343 K with a spontaneous polarization of 0.52 mu C cm(-2) and a coercive field of 48 kV cm(-1). The origin of the ferroelectricity was attributed to the rapid rotation of the organic cation and slight order-disorder transition of the NO2- anion.
Article
Polymer Science
Julie Bossu, Nicolas Le Moigne, Philippe Dieudonne-George, Loic Dumazert, Valerie Guillard, Helene Angellier-Coussy
Summary: The study aimed to understand the influence of processing temperature on PHBV, and adjusting processing conditions based on HV content is critical to achieve functional properties for specific applications.