Article
Chemistry, Physical
Dongying Ma, Changying Song, Jingjing Sun, Shigang Shen, Shuying Huo
Summary: A trans-dibromido-Pt(IV) complex was synthesized and evaluated for peptide disulfide bond synthesis, achieving excellent yields with fast reaction rates. The increase of pH promotes the reaction rate for the formation of peptide disulfide bond via Pt(IV) oxidation.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Biophysics
Xiao Kuang, Dongxu Chi, Jinbo Li, Chunlin Guo, Yinxian Yang, Shuang Zhou, Cong Luo, Hongzhuo Liu, Zhonggui He, Yongjun Wang
Summary: A disulfide bond inserted Pt(IV) self-assembled nanoplatform with reduction-responsiveness was developed for targeted treatment of malignant tumors, showing prolonged blood circulation, higher tolerated doses, potent anti-tumor efficiency, and low toxicities in normal tissues. This platform offers promising potential for clinical applications.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Huilei Dong, Mingshui Wang, Shihui Fan, Chuanliu Wu, Chunhui Zhang, Xia Wu, Bin Xue, Yi Cao, Junjie Deng, Dan Yuan, Junfeng Shi
Summary: This study reports the folding of a thiol-rich peptide into an amphiphilic beta-hairpin conformation through the formation of two hetero-disulfide bonds, and its subsequent self-assembly into a hydrogel. It is the first case of using multiple disulfide bonds to control conformational change and self-assembly, providing a cell-compatible hydrogel material for potential biomedical applications.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Organic
Jingjing Sun, Changying Song, Dongying Ma, Shigang Shen, Shuying Huo
Summary: In this study, L-methionine selenoxide was used as an oxidant for the construction of peptide disulfide bonds, achieving excellent yields for various peptides. The reaction mechanism was found to be first order in both MetSeO and DTT, providing insights into the oxidative synthesis of disulfide bonds. Additionally, the construction of disulfide bonds can be performed during the peptide cleavage process, simplifying the synthesis of disulfide-containing peptides.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Cinzia Imberti, Jamie Lok, James P. C. Coverdale, Oliver W. L. Carter, Millie E. Fry, Miles L. Postings, Jana Kim, George Firth, Philip J. Blower, Peter J. Sadler
Summary: A novel photoactivatable Pt(IV) diazido anticancer agent with a pendant deferoxamine (DFO) siderophore for radiometal chelation was synthesized, and its in vivo behavior was studied using radionuclide imaging. The results showed that the Pt-succ-DFO complex had photoactivation properties and photocytotoxicity in cancer cells. PET imaging in healthy mice exhibited a promising biodistribution profile, suggesting the potential of this agent for clinical development. This research provides important insights into the development of light-activated agents.
INORGANIC CHEMISTRY
(2023)
Article
Pharmacology & Pharmacy
Xiao Kuang, Yuting Hu, Dongxu Chi, Haolin Zhang, Zhonggui He, Yiguo Jiang, Yongjun Wang
Summary: A series of disulfide bond introduced Pt(IV)-lipid prodrugs were designed, which can be activated by high intracellular glutathione (GSH) level for therapeutic effect; the longest axial branched Pt(IV) prodrug CSS18 showed the most impressive therapeutic outcome, providing insights into the rational design of reduction responsive platinum delivery system.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2021)
Article
Multidisciplinary Sciences
Traci E. LaMoia, Gina M. Butrico, Hasini A. Kalpage, Leigh Goedeke, Brandon T. Hubbard, Daniel F. Vatner, Rafael C. Gaspar, Xian-Man Zhang, Gary W. Cline, Keita Nakahara, Seungwan Woo, Atsuhiro Shimada, Maik Huttemann, Gerald Shulman
Summary: Metformin reduces hepatic gluconeogenesis by inhibiting complex IV to decrease the function of GPD2, leading to a decrease in glycerol-derived hepatic gluconeogenesis.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Biochemistry & Molecular Biology
Giovanni Canil, Juan Gurruchaga-Pereda, Simona Braccini, Lorella Marchetti, Tiziana Funaioli, Fabio Marchetti, Alessandro Pratesi, Luca Salassa, Chiara Gabbiani
Summary: Photoactivatable Pt(IV) prodrugs have great potential as metal-based drugs due to their chemical inertness in oxidized form and selective targeting compared to Pt(II) compounds. A new Pt(IV) complex, soluble in water and unreactive until reduction, was synthesized. The complex exhibited rapid and efficient photoreduction with visible light, facilitated by a catalytic system based on flavin and NADH. The reactivity of the prodrug against biological targets was only observed after photoreduction to its Pt(II) analogue.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Inorganic & Nuclear
Bin-Bin Pan, Hui-Zhong Liu, Wei-Han Meng, Xun-Cheng Su
Summary: This study investigated the interaction between a platinum(iv) complex and alpha-synuclein (α-S) using high-resolution NMR spectroscopy and mass spectrometry. The results showed that the Pt(iv) complex was able to oxidize specific methionine residues in α-S under physiological conditions. These findings are important for understanding the oxidative modification of α-S.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Biochemistry & Molecular Biology
Maria Cristina Cringoli, Silvia Marchesan
Summary: Cysteine redox chemistry is used in nature for protein assembly and has inspired the design of self-assembling peptides. This review focuses on recent advancements in using Cys thiol-disulfide redox chemistry to modulate hydrogelation of various peptide classes.
Article
Chemistry, Multidisciplinary
J. L. Jimenez-Macias, Y. -C. Lee, E. Miller, T. Finkelberg, M. Zdioruk, G. Berger, C. E. Farquhar, M. O. Nowicki, C. -F. Cho, B. I. Fedeles, A. Loas, B. L. Pentelute, S. E. Lawler
Summary: This study demonstrates for the first time that systemic injection of a Pt(IV) complex conjugated to a brain-penetrant macrocyclic peptide can increase platinum levels in the brain and prolong survival in mouse models of GBM, supporting further development of this approach and the use of brain-penetrating macrocyclic peptide conjugates to deliver non-BBB penetrant drugs to the central nervous system.
JOURNAL OF CONTROLLED RELEASE
(2022)
Article
Polymer Science
Shuo Wang, Hua Lu
Summary: This study reports a method for synthesizing thiol-functionalized polypeptides, which successfully suppresses the intramolecular isomerization side reactions and achieves homo-and copolypeptides with improved yield, high molecular weight, and narrow molecular weight distributions by selecting appropriate reaction solvents and adding benzoic acid as an additive. In addition, successful postpolymerization modifications of the D-Pen-containing copolypeptides on the tertiary thiols are achieved with high efficiency through thiol-Michael, SN2, and nitrosylation reactions. This work provides an efficient protection-free approach to generating functional polypeptides and creates a fundamental understanding for Pen-NCA chemistry.
Article
Chemistry, Inorganic & Nuclear
Barbora Mala, Laura E. Murtagh, Charlotte M. A. Farrow, Geoffrey R. Akien, Nathan R. Halcovich, Sarah L. Allinson, James A. Platts, Michael P. Coogan
Summary: This study reports the formation of dinuclear complexes from thiophenolate ligands, as well as the photochemical oxidation to sulfinates, leading to the discovery of tunable photophysics depending on the 1,2-diimine ligands. Different ligand conditions result in various types of complexes, with photooxidation yielding previously unreported Pt(IV)-SO2R complexes exhibiting multiple absorption characteristics.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Tanna E. R. Fiuza, Leonardo S. Sousa, Daniela Zanchet
Summary: This study evaluated the behavior of perovskites based on cobalt and iron (LaCo1-xFexO3) as catalysts in the preferential oxidation of carbon monoxide (CO-PROX) in the presence of platinum. Perovskites are alternative materials to conventional transition metal oxides, with tunable redox properties. Different combinations of elements were investigated, and the addition of Fe improved the stability of the perovskite structure under reducing conditions. The presence of Pt significantly influenced the stabilization of active sites depending on the perovskite composition, and the Pt/LaFeO3 catalyst combined the high activity of the Pt/Fe3O4 system with the thermal stability of the perovskite structure.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Biochemistry & Molecular Biology
Maria Laura De Sciscio, Valeria D'Annibale, Marco D'Abramo
Summary: Sulfur-containing amino acids play a crucial role in maintaining cellular redox homeostasis and modulating signaling cascades. This study successfully simulated sulfur-based reactions using a theoretical-computational approach, providing a foundation for studying these mechanisms in complex biological systems.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)