Article
Multidisciplinary Sciences
Jun Lu, Yao Xue, Kalil Bernardino, Ning-Ning Zhang, Weverson R. Gomes, Naomi S. Ramesar, Shuhan Liu, Zheng Hu, Tianmeng Sun, Andre Farias de Moura, Nicholas A. Kotov, Kun Liu
Summary: The study demonstrates that the limitations of optical asymmetry in chiral assemblies of plasmonic nanoparticles can be overcome by long-range organization of nanoparticles, similar to liquid crystals. This long-range order in helical assemblies enhances optical asymmetry by reducing scattering and activating energy states with antiparallel orientation of dipoles.
Article
Chemistry, Physical
Sadia Malik, Faisal Nabi, Mohammad Khursheed Siddiqi, Aiman Masroor, Malik Hisamuddin, Tajalli Ilm Chandel, Nabeela Majid, Rizwan Hasan Khan
Summary: This study confirms the inhibitory effect of lipophilic FAEE on insulin fibrillation, which can cross the blood brain barrier and stabilize the monomeric state of insulin, thereby preventing the extension of fibrillation.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Kateryna Vus, Uliana Tarabara, Ihor Danylenko, Yaroslav Pirko, Tetiana Krupodorova, Alla Yemets, Yaroslav Blume, Vitalii Turchenko, Dmytro Klymchuk, Petro Smertenko, Olga Zhytniakivska, Valeriya Trusova, Sergii Petrushenko, Sergey Bogatyrenko, Galyna Gorbenko
Summary: Silver nanoparticles (SNPs) synthesized extracellularly using extracts of different genus Pleurotus fungi samples showed pronounced anti-amyloid effect in vitro, suggesting their potential application as effective anti-amyloid agents.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Ishrat Jahan, Shahid M. Nayeem
Summary: Alzheimer's disease (AD) is a common neurodegenerative disease characterized by the deposition and aggregation of amyloid-beta-peptides in neural tissue. Drugs like acyclovir, carmustine, curcumin, and tetracycline have been suggested as potential molecules for destabilizing A beta protofibrils. These drugs bind to the hydrophobic grooves of A beta protofibrils, destabilizing the beta-strand structure and inhibiting A beta aggregations. Tetracycline is found to be the most effective among these drugs in diminishing A beta aggregations.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Manjeet Kumar, Magdalena I. Ivanova, Ayyalusamy Ramamoorthy
Summary: In patients with early pathological changes of Alzheimer's disease, Monosialoganglioside GM1-bound amyloid beta-peptides are detected. This study reveals that non-micellar GM1 can modulate A beta(40) aggregation, resulting in the formation of stable, short, rod-like, and cytotoxic A beta(40) protofibrils that can enhance the aggregation of both A beta(40) and A beta(42).
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Priscila Baltazar Goncalves, Fernando L. Palhano, Yraima Cordeiro, Ana Carolina Renno Sodero
Summary: The misfolding and aggregation of α-synuclein is a pathological hallmark of Parkinson's disease. Epigallocatechin-3-gallate (EGCG) can prevent the formation of toxic aggregates and remodel existing toxic fibrils into non-toxic aggregates. Through molecular docking and dynamics simulations, the study investigates the interactions of oxidized EGCG and Thioflavin T with mature α-syn fibrils.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Biotechnology & Applied Microbiology
Jesus Camara-Almiron, Laura Dominguez-Garcia, Nadia El Mammeri, Alons Lends, Birgit Habenstein, Antonio de Vicente, Antoine Loquet, Diego Romero
Summary: This study demonstrates that recombinantly purified RcTasA retains the biochemical properties of the entire protein and shows that two aggregation-prone stretches and imperfect amino acid repeats in RcTasA contribute to its amyloid-like capacity. The study also identifies the critical role of residues D64, K68, and D69 in the structural function of TasA. Experiments with mutant versions of TasA reveal a partial loss of function in the assembly of the extracellular matrix or the stability of the core and amyloid-like properties. Overall, these findings provide insights into the polymerization process of TasA and the sequence determinants that govern the behavior of protein filaments in bacteria.
NPJ BIOFILMS AND MICROBIOMES
(2023)
Article
Biochemistry & Molecular Biology
Anna Sulatskaya, Georgy N. Rychkov, Maksim Sulatsky, Ekaterina Mikhailova, Nadezhda M. Melnikova, Veronika S. Andozhskaya, Irina M. Kuznetsova, Konstantin K. Turoverov
Summary: This comprehensive study provides new evidence on the amyloid polymorphism of Aβ 40 and Aβ 42. It shows that Aβ 42 fibers have a higher tendency to form large clots and exhibit stronger resistance to destabilizing effects, as well as explicit cytotoxicity. In contrast, Aβ 40 fibers have a lower tendency to cluster and weaker resistance to external factors. Additionally, cross-seeding of Aβ 40 fibrillogenesis using preformed Aβ 42 fibrils changes the morphology and increases the stability and cytotoxicity of Aβ 40 fibrils.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Galyna Gorbenko, Uliana Tarabara, Olga Zhytniakivska, Kateryna Vus, Valeriya Trusova
Summary: Amyloid protein nanofibrils have attracted considerable attention in biomedical and nanotechnological aspects. This study evaluates the functionalization of insulin nanofibrils with styryl pyridinium dyes (SPD), thioflavin T (ThT), and squaraine dyes. The results show that the SPD- ThT - SPD - SQ4 - SQ1 cascade provides efficient energy transfer in fibrillar protein compared to non-fibrillized protein. The spectral overlap between ThT and SPD enhances the relay fluorophores' effectiveness in the FRET process. The quantitative analysis reveals that the insulin fibril volume is accessible to fluorophores in different spatial distributions.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2022)
Article
Chemistry, Analytical
Katarina Siposova, Dagmar Sedlakova, Andrey Musatov
Summary: Monitoring the surface tension values of insulin is a valuable tool for detecting its amyloid aggregation, as the aggregation leads to an increase in surface tension values. The kinetics of fibril formation and fibril morphology can be validated by ThT fluorescence and AFM, respectively.
ANALYTICAL METHODS
(2021)
Article
Chemistry, Multidisciplinary
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Summary: Alzheimer's disease is characterized by the accumulation of misfolded amyloid-fi protein (Afi). We found that Afi(1-42) fibrils with a predominant fold can be obtained at acidic pH, and their structure differs from polymorphs obtained at neutral pH.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Summary: Alzheimer's disease is associated with the deposition of misfolded aggregates of the amyloid-fi protein (Afi). The study found that relatively homogeneous Afi(1-42) fibrils can be obtained at acidic pH, and the stability and structure of these fibrils are affected by a pH shift. Through various techniques, it was demonstrated that the LS-fold of the Afi(1-42) fibrils remains stable at physiological pH values, with the N-terminus being part of the fibril core.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Lanlan Yu, Ruonan Wang, Shucong Li, Ufuoma I. Kara, Eric C. Boerner, Boyuan Chen, Feiyi Zhang, Zhongyi Jian, Shuyuan Li, Mingwei Liu, Yang Wang, Shuli Liu, Yanlian Yang, Chen Wang, Wenbo Zhang, Yuxing Yao, Xiaoguang Wang, Chenxuan Wang
Summary: Scanning tunneling microscopy (STM) is used to distinguish 18 coexisting conformational substates of the β-strand of hIAPP 8-37 and analyze the peptide-peptide interactions. This method also validates the existence of multiple conformations in other β-sheet peptide assemblies. The results provide insights into the conformational ensemble and interpeptide interactions in β-sheet peptide assembly.
ACS CENTRAL SCIENCE
(2023)
Article
Biochemistry & Molecular Biology
Xinyue Lan, Longjiao Zhu, Yangzi Zhang, Keren Chen, Jia Wang, Zaihui Du, Shuting Li, Xu Chen, Wentao Xu
Summary: This study proposes a new form of Thioflavin T nucleic acid switches called CHTLNAS, which have excellent fluorescence excitation properties and can achieve label-free and enzyme-free detection of tetracycline and berberine within 10 minutes at the pM level. It can also track intracellular carriers and prolong the nuclear-entry time of Thioflavin T, expanding its application in cell biology research.
NUCLEIC ACIDS RESEARCH
(2023)
Article
Chemistry, Physical
Olga Zhytniakivska, Atanas Kurutos, Mykhailo Shchuka, Kateryna Vus, Uliana Tarabara, Valeriya Trusova, Galyna Gorbenko
Summary: This study demonstrates that the Fo spacing diaeresis rster resonance energy transfer (FRET) technique can differentiate between the non-fibrillized and fibrillar states of insulin. The presence of cyanine dyes causes a significant decrease in ThT fluorescence, with the magnitude of this effect depending on the cyanine chemical structure.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Medicinal
Ruben Prieto-Diaz, Manuel Gonzalez-Gomez, Hugo Fojo-Carballo, Jhonny Azuaje, Abdelaziz El Maatougui, Maria Majellaro, Maria Loza, Jose Brea, Victor Fernandez-Duenas, M. Rita Paleo, Alejandro Diaz-Holguin, Beatriz Garcia-Pinel, Ana Mallo-Abreu, Juan C. Estevez, Antonio Andujar-Arias, Xerardo Garcia-Mera, Iria Gomez-Tourino, Francisco Ciruela, Cristian O. Salas, Hugo Gutierrez-de-Teran, Eddy Sotelo
Summary: Modulation of the A2B adenosine receptor is a promising strategy in (immuno) cancer therapy. A systematic assessment was conducted on the impact of (di-and mono-)halogenation at positions 7 and/or 8 on A2BAR affinity and pharmacokinetic properties of A2BAR antagonists. The study revealed that monohalogenation at position 8 produced potent A2BAR ligands, while halogenation at position 7 and dihalogenation decreased affinity. Eight novel A2BAR ligands were discovered with remarkable affinity, subtype selectivity, and enantioselective recognition.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Astronomy & Astrophysics
Stefano Ferrero, Stefano Pantaleone, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, Albert Rimola
Summary: In the coldest regions of the interstellar medium, the icy surfaces of interstellar grains play a crucial role in chemical reactions. The energy dissipation process during these reactions is poorly understood but has significant implications in astrochemistry. Quantum mechanical simulations were conducted to investigate the formation of NH3 on water ice surfaces, particularly focusing on the third-body role.
ASTROPHYSICAL JOURNAL
(2023)
Article
Astronomy & Astrophysics
Lorenzo Tinacci, Simon Ferrada-Chamorro, Cecilia Ceccarelli, Stefano Pantaleone, Daniela Ascenzi, Andrea Maranzana, Nadia Balucani, Piero Ugliengo
Summary: Gas-phase reaction networks in astrochemical models are important but can result in errors if incorrect reactions are included. This study presents a new gas-phase reaction network, GRETOBAPE, based on the KIDA2014 network and updated with verified reactions. A cleaned reduced network, GRETOBAPE-red, was also produced for simulating astrochemical situations with specific species. The new reaction network, its reduced version, and the species property database are made publicly available.
ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
(2023)
Article
Biochemistry & Molecular Biology
Luke Wharton, Scott W. McNeil, Helen Merkens, Zheliang Yuan, Michiel van de Voorde, Gokce Engudar, Aidan Ingham, Helena Koniar, Cristina Rodriguez-Rodriguez, Valery Radchenko, Maarten Ooms, Peter Kunz, Francois Benard, Paul Schaffer, Hua Yang
Summary: Terbium radioisotopes (Tb-149, Tb-152, Tb-155, Tb-161) possess all four relevant nuclear decay modalities for theranostic radiopharmaceuticals. This study developed crown-TATE as a peptide-conjugate for radiolabeling with Tb-155 and Tb-161, and evaluated their imaging and pharmacokinetic properties in tumor-bearing mice. The radiotracers showed high tumor targeting and minimal retention in non-target organs, suggesting the potential of crown-TATE for molecular imaging and radionuclide therapy.
Article
Chemistry, Multidisciplinary
Lennart Bohrmann, Tobias Burghardt, Cristina Rodriguez-Rodriguez, Matthias M. Herth, Katayoun Saatchi, Urs O. Hafeli
Summary: This study presents a modular conjugation strategy based on click chemistry for the modification of high molecular weight hyperbranched polyglycerol (HPG) with sgc8 aptamer, fluorescent dyes, and In-111. The results indicate strong affinity of sgc8 against solid tumor-derived cell lines, but nonspecific uptake of scrambled ssDNA-functionalized HPG in cells highlights inherent challenges of aptamer-targeted probes. The study validates HPG-sgc8 as a nontoxic nanoprobe with high affinity against breast and lung cancer cells, and shows increased stability compared to free sgc8.
Article
Chemistry, Multidisciplinary
Didac A. Fenoll, Mariona Sodupe, Xavier Solans-Monfort
Summary: Cadmium selenide nanomaterials are important in photonics, catalysis, and biomedical applications due to their tunable optical properties. The effect of ligand adsorption on the electronic properties of CdSe nanoparticles is characterized using DFT simulations. Ligand-surface interactions and ligand-ligand dispersive interactions affect the adsorption energies. Ligand passivation does not induce surface reorganization on zinc blende and wurtzite surfaces, while structural reconstruction occurs on the nanoparticle.
Article
Astronomy & Astrophysics
Stefano Ferrero, Cecilia Ceccarelli, Piero Ugliengo, Mariona Sodupe, Albert Rimola
Summary: The carbon atom can condensate with interstellar ice components, which is crucial for interstellar medium chemistry. Carbon condensation on CO-rich ices forms ketene, which can be a potential candidate for interstellar complex organic molecules. Quantum chemical calculations show that the addition of H to ketene to form the acetyl radical is the most preferred path, and the reactions with OH and NH2 have high activation energies. Astrophysical implications of these findings are discussed considering the James Webb Space Telescope observations.
ASTROPHYSICAL JOURNAL
(2023)
Article
Astronomy & Astrophysics
Lorenzo Tinacci, Aurele Germain, Stefano Pantaleone, Cecilia Ceccarelli, Nadia Balucani, Piero Ugliengo
Summary: Water plays a crucial role in star-forming regions and protoplanetary disks. A new study presents ab initio calculations on interstellar ice, revealing 144 different adsorption sites for water molecules. The calculated binding energy (BE) distribution peaks at 35.4 kJ mol(-1) (4230 K) and significantly affects the snowline in protoplanetary disks. The results indicate that the previous models might have overestimated the release of water into the gas phase.
ASTROPHYSICAL JOURNAL
(2023)
Review
Biochemistry & Molecular Biology
Cristina Pavan, Rosangela Santalucia, Guillermo Escolano-Casado, Piero Ugliengo, Lorenzo Mino, Francesco Turci
Summary: The study focuses on the role of hydroxyls (OH) on oxide particles (OxPs) in molecular initiating events leading to OxPs toxicity. The analytical methods used to characterize surface OH, including thermogravimetry, titration, zeta potential measurements, and spectroscopic approaches (NMR, XPS), are discussed. The importance of modelling techniques (MD, DFT) for describing the interactions between membranes/proteins and OxPs surfaces is also highlighted. A new approach methodology (NAM) based on IR spectroscopy and bioanalytical assays is proposed for investigating the molecular interactions of OxPs with biomolecules and membranes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Astronomy & Astrophysics
Jessica Perrero, Piero Ugliengo, Cecilia Ceccarelli, Albert Rimola
Summary: Efficient synthesis of acetaldehyde from ethanol and/or ethyl radical occurs in the gas-phase, while radical-radical recombinations are traditionally invoked on grain-surfaces. However, recent studies have identified barriers and competitive side reactions, making this pathway less likely. This study investigates a new grain-surface reaction pathway involving the reaction between CH3 and a CO molecule on an ice composed of 75% water and 25% CO.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Stefano Pantaleone, Marta Corno, Albert Rimola, Nadia Balucani, Piero Ugliengo
Summary: Phosphorus is a fundamental element for life, and its origin is still debated. Experimental and simulation studies have shown that the water corrosion of phosphides can produce reactive phosphates, which may contribute to the formation of complex biological molecules.
ACS EARTH AND SPACE CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Berta Martinez-Bachs, Albert Rimola
Summary: The study highlights the importance of interstellar complex organic molecules (iCOMs) in chemical evolution in the interstellar medium (ISM), and suggests that their formation pathways may differ between gas-phase and grain-surface reactions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Physical
Niccolo Bancone, Stefano Pantaleone, Piero Ugliengo, Albert Rimola, Marta Corno
Summary: HCN is a widely distributed interstellar molecule and a possible precursor of life. This study investigates the adsorption properties and catalytic role of HCN on the crystalline surfaces of forsterite, a common mineral in interstellar core grains and planetary rocky bodies. The results reveal a complex chemistry and potential reactivity towards the formation of prebiotic compounds, suggesting the significance of HCN/forsterite interactions in various interstellar environments.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
