Article
Chemistry, Physical
Aruna K. Mora, Prabhat K. Singh, Shirish A. Nadkarni, Sukhendu Nath
Summary: The study found that water molecules in reverse micelles exhibit gradual changes in microenvironment with variations in water pool radius, but the vibrational lifetime does not show significant changes. However, ultrafast 2D-IR spectroscopy demonstrates that even in the center of smaller sized water pools, water molecules behave significantly differently compared to bulk water, with a notable slowdown in hydrogen bond relaxation dynamics.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Laxmikanta Khamari, Saptarshi Mukherjee
Summary: This study used single-molecule FRET to investigate the conformational dynamics of c-MYC promoter-based i-motif structures in confined environments. The research found that the folding of these motifs is not a direct transition from random coil to i-motif conformation, but occurs through a partially folded intermediate.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Hak-Won Nho, Jae-Heon Park, Aniruddha Adhikari, Oh-Hoon Kwon
Summary: The study revealed that the dynamic charge-state transition during ESPT determined the diffusion and location of the probe, influenced by the abundance of water molecules in the pool. The non-exponential behavior was attributed to the heterogeneity along the reaction coordinates involving the hydrogen-bond network, polarity, and viscosity of the confined water pool within the reverse micelle.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Inorganic & Nuclear
Lubing Qin, Feng Zhang, Xiaoshuang Ma, Yun Tang, Guanyu Ma, Zhenghua Tang
Summary: In order to advance the development of atomically precise Ag and Ag-alloyed nanoclusters, an effective synthetic method using the CTAB reverse micelle approach was successfully extended to quickly and efficiently synthesize high-purity Ag and Ag-alloyed nanoclusters. The study also elucidated the mechanism behind the reverse micelle method through characterization techniques.
DALTON TRANSACTIONS
(2021)
Article
Spectroscopy
Shiying Wang, Mian Wang, Li Han, Yan Sun, Wensheng Cai, Xueguang Shao
Summary: This study investigates the stability of proteins in a confined environment using near-infrared (NIR) spectra. It is found that proteins undergo denaturation in aqueous solutions but not in reverse micelles (RMs). Changes in the spectral bands of water provide evidence for protein denaturation and suggest that water can serve as a probe for structural changes in proteins. The presence of bridging water between the protein and inner surface of RMs may be the reason for stability.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Multidisciplinary
Joshua Reyes-Morales, Mohamed Moazeb, Guillermo S. Colon-Quintana, Jeffrey E. Dick
Summary: Nanodroplet-mediated electrodeposition is a reliable method for electrodepositing nanoparticles, and this study demonstrates a simple change in the composition of the nanodroplet phase that allows for the successful electrodeposition of gold nanoparticles. This work is significant for improving the morphology and size distribution of nanoparticles.
CHEMICAL COMMUNICATIONS
(2022)
Article
Energy & Fuels
Zechen Zhang, William A. Ducker
Summary: This paper presents an experimental study on the displacement of oil by water in a nano-scale glass channel. Three surfactants were examined and the results showed that only AOT could cause oil displacement within 12 hours. This study suggests that surfactants enhance the transport of water through oil, aiding in oil recovery.
Article
Chemistry, Physical
Zhengxin Li, Akihito Kiyama, Hongbo Zeng, Xuehua Zhang
Summary: The study investigated the quantitative understanding of the size effect on the chemical reaction rate of droplets using surface nanodroplets. The results showed that as the droplet size decreases, the overall reaction kinetics increase rapidly, indicating that the fast increase in product concentration in smaller droplets contributes to accelerating reaction kinetics.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Pharmacology & Pharmacy
Igor D. Zlotnikov, Dmitriy A. Streltsov, Alexander A. Ezhov, Elena V. Kudryashova
Summary: The low effectiveness of chemotherapy is due to low target bioavailability of drugs and the efflux process. To overcome this, polymeric micellar systems based on chitosan grafted with fatty acids (different types) were developed to increase the solubility and bioavailability of drugs and enhance interaction with tumor cells. Adjuvants, such as eugenol, were also used to enhance the accumulation and retention of drugs in tumor cells. pH- and temperature-sensitive micelles showed high entrapment efficiency and prolonged drug release. The combined micellar drugs significantly increased the penetration of cytostatics into cancer cells and inhibited efflux.
Article
Chemistry, Multidisciplinary
Shahrazad M. A. Malek, Victor Kwan, Ivan Saika-Voivod, Styliani Consta
Summary: The interactions between water and ions within droplets are critical in the chemical reactivity of atmospheric and man-made aerosols. Computational evidence shows that in supercooled aqueous nanodroplets, a lower density core of tetrahedrally coordinated water expels ions to the denser subsurface. At room temperature, the radial distribution in the droplet core varies depending on the ion's nature.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Microbiology
Elizabet Monteagudo-Cascales, David Martin-Mora, Wenhao Xu, Victor Sourjik, Miguel A. Matilla, Alvaro Ortega, Tino Krell
Summary: Demonstration of the pH robustness of extracytoplasmic sensing reveals a previously undescribed evolutionary mechanism that enables bacteria to monitor environmental changes under changing conditions. This mechanism includes the maintenance of the dimeric state of four-helixbundle ligand-binding domains (LBDs). Bacteria have evolved several strategies, including the robustness of periplasmic LBDs, to cope with extreme pH conditions.
Article
Biochemistry & Molecular Biology
Florencia Scochera, Gerardo Zerbetto De Palma, Agustina Canessa Fortuna, Jonathan Chevriau, Roxana Toriano, Gabriela Soto, Ari Zeida, Karina Alleva
Summary: Plant PIP aquaporins are crucial in regulating plant water status, with the loopD being the main pH sensor in PIP pH gating. The last part of the C-terminal domain (CT) in PIP channels, not resolved in crystal structures, plays a significant role in modulating the pH for water transport. Molecular dynamics simulations reveal how CT affects the pH sensing in PIP tetramers, providing insights into the importance of differential residues in PIP1 and PIP2 paralogues.
Article
Chemistry, Multidisciplinary
Shakul Pathak, Monojit Chakraborty, Sunando DasGupta
Summary: This study explores the physics of droplet movement under the influence of an electric field at the molecular level. Molecular simulations demonstrate that the spreading dynamics of the droplet are qualitatively similar to experimental observations. By analyzing the dynamics of droplet actuation across an electrode array, the contact line friction and its relationship with droplet velocity are determined through scaling analysis.
Article
Chemistry, Multidisciplinary
Yi-Bo Wang, Yi-Feng Wang, Qiang Ma, Yan-Ru Yang, Duu-Jong Lee, Xiao-Dong Wang
Summary: Using molecular dynamics simulations, we studied the hole formation of water nanodroplets impacting hydrophilic to hydrophobic surfaces with different static contact angles and initial surface temperatures. We found that the hole dynamics of nanodroplets are different from millimeter-sized droplets, and the hole formation is influenced by surface temperature and wettability. A criterion is developed to predict the hole formation of nanodroplets based on thermal stability analysis. Additionally, we observed the ring-bouncing of nanodroplets triggered by the nucleated vapor bubble.
Article
Chemistry, Physical
Chia-Yi Lin, Shih-Huang Tung
Summary: This study investigated the rheological behaviors and self-assembled structures of lecithin wormlike micelles induced by LiCl, CaCl2, and LaCl3 in cyclohexane. The decrease in viscosity was found to be accompanied by a shortening in micelle length, which was attributed to the movement of excess inorganic salts altering the effective molecular geometry. The study suggested that the binding sites of inorganic salts in lecithin headgroups play a key role in determining the self-assembled structures of lecithin reverse micelles.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Applied
Debbie C. Crans, Mark Brown, Deborah A. Roess
Summary: Membrane receptors are a class of protein-based biocatalysts that are different from enzymes. The luteinizing hormone receptor (LHR), a type of G protein-coupled receptor (GPCR), plays a crucial role in transducing signals from the membrane receptor to the signaling pathways inside living cells. Activation of LHR can be achieved through ligand binding or binding of vanadium compounds, which then activates G proteins and downstream biocatalysts in well-defined signaling pathways. Understanding GPCR-mediated signaling is important for the development of pharmacologically significant compounds, and recent studies have shown that the plasma membrane can serve as an additional target for regulating receptor activity by vanadium compounds.
Article
Chemistry, Multidisciplinary
Bo Feng, Yaqiong Dong, Bing Shang, Bowen Zhang, Debbie C. Crans, Xiaoda Yang
Summary: The study proposes a novel approach to design inhibitors of PTP1B using graphene quantum dots, showing high potency and selectivity in solution and cells. Oral administration in mice demonstrates improved anti-diabetic activity. Selective inhibition of different enzymes can be achieved by exchanging specific ligands.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Daniel Favre, Cedric E. Bobst, Stephen J. Eyles, Heide Murakami, Debbie C. Crans, Igor A. Kaltashov
Summary: This study investigates the structural analysis of V10 species in aqueous solutions. The results show that V10 species undergo partial reduction, and a combination of high-resolution MS measurements and hydrogen/deuterium exchange allows for investigating and interpreting the deviations in isotopic distribution. LC/MS measurements using ion exclusion chromatography provide evidence that the mixed-valence V10 species exist in solution. The study is significant for understanding the redox properties of POMs.
INORGANIC CHEMISTRY FRONTIERS
(2022)
Editorial Material
Chemistry, Applied
Mannar Ram Maurya, Sibudjing Kawi, Debbie Crans
Article
Biochemistry & Molecular Biology
Gonzalo Scalese, Zeyad Arhouma, Kateryna Kostenkova, Leticia Perez-Diaz, Dean C. Crick, Dinorah Gambino, Debbie C. Crans
Summary: The antiproliferative effects of VIVO and VVO based compounds on M. smeg and T. cruzi were investigated, and it was found that M. smeg showed weaker response to these compounds compared to T. cruzi.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Lidiane M. A. Lima, Amanda K. J. P. F. da Silva, Eucilene K. Batista, Kahoana Postal, Kateryna Kostenkova, Alex Fenton, Debbie C. Crans, Wagner E. Silva, Monica F. Belian, Eduardo C. Lira
Summary: This study describes the synthesis, characterization, and biological activity of a new class of oxidovanadium(IV) complexes with S2O2 coordination mode, which show desirable antidiabetic properties, eliminating the symptoms of Diabetes mellitus and its comorbidities.
JOURNAL OF INORGANIC BIOCHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Manuel Aureliano, Ana Luisa De Sousa-Coelho, Connor C. Dolan, Deborah A. Roess, Debbie C. Crans
Summary: Lipid peroxidation (LPO), induced by exposure to vanadium salts and compounds, is a process that affects human health. The LPO reaction involves the oxidation of alkene bonds in polyunsaturated fatty acids, resulting in the formation of radical and reactive oxygen species (ROS). Vanadium species have both direct and indirect effects on ROS formation, making the study of LPO arising from increased ROS challenging.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Samantha L. Miller, Ernestas Gaidamauskas, Ataf Ali Altaf, Debbie C. Crans, Nancy E. Levinger
Summary: Confining water to nanosized spaces can alter its structure and dynamics. In the presence of ions, the limited number of water molecules and short screening length in these spaces can significantly affect ion distribution compared to bulk aqueous solutions. Through F-19 NMR spectroscopy, we show that the chemical shift of fluoride anion, F-, can probe the location of sodium ions, Na+, confined in reverse micelles. Our measurements demonstrate that the nanoconfined environment of reverse micelles can result in extremely high apparent ion concentrations and ionic strength, surpassing the limits of bulk aqueous solutions. Specifically, the observed F-19 NMR chemical shift trends indicate that the AOT sodium counterions remain at or near the interface between surfactant and water, providing experimental support for this hypothesis for the first time.
Review
Biochemistry & Molecular Biology
Alyssa Padilla, John F. F. Manganaro, Lydia Huesgen, Deborah A. A. Roess, Mark A. A. Brown, Debbie C. C. Crans
Summary: A comprehensive understanding of the mechanisms involved in epigenetic changes in gene expression is essential to the clinical management of diseases linked to the SMYD family of lysine methyltransferases. The five known SMYD enzymes catalyze the transfer of donor methyl groups from S-adenosylmethionine (SAM) to specific lysines on histones and non-histone substrates. Diseases associated with SMYDs include heart failure, esophageal squamous cell carcinoma (ESCC), and various cancers. The development of epigenetic inhibitors, including specific molecules targeting different SMYD enzymes and the reversal of SMYD histone methylation, has gained considerable attention for pharmaceutical development.
Editorial Material
Chemistry, Applied
Mannar Ram Maurya, Debbie C. Crans, Sibudjing Kawi
TOPICS IN CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Kateryna Kostenkova, Aviva Levina, Drew A. Walters, Heide A. Murakami, Peter A. Lay, Debbie C. Crans
Summary: Two new series of complexes with pyridine-containing Schiff bases were synthesized and their chemical properties and stability were studied. One of the complexes exhibited good anti-proliferative activity in cell culture media, showing high selectivity towards glioblastoma cells and potential for drug treatment.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Microbiology
Santosh Kumar, Steven Sega, Jamie K. Lynn-Barbe, Dannika L. Harris, Jordan T. Koehn, Debbie C. Crans, Dean C. Crick
Summary: Proline dehydrogenase and Delta(1)-pyrroline-5-carboxylate dehydrogenase are monofunctional enzymes in Mycobacterium tuberculosis that play critical roles in bacterial replication. This study characterized these enzymes and demonstrated their importance in metabolic flux and protecting the bacterium from toxic substances.
Article
Chemistry, Medicinal
Mariana de M. Barbosa, Lidiane M. A. de Lima, Widarlane A. da S. Alves, Eucilene K. B. de Lima, Luzia A. da Silva, Thiago D. da Silva, Kahoana Postal, Mohammad Ramadan, Kateryna Kostenkova, Dayane A. Gomes, Giovana G. Nunes, Michelly C. Pereira, Wagner E. da Silva, Monica F. Belian, Debbie C. Crans, Eduardo C. Lira
Summary: This study provides the first toxicity evaluation of a mixed-valence polyoxovanadate (V15). The results demonstrate that V15 exhibits high cytotoxic activity, causing significant alterations in metabolic parameters related to the kidney and liver. The toxicity of V15 is attributed to oxidative stress and lipid peroxidation, making it inappropriate for biomedical applications.
Article
Chemistry, Inorganic & Nuclear
Zeyad Arhouma, Heide A. Murakami, Jordan T. Koehn, Xiaorong Li, Deborah A. Roess, Dean C. Crick, Debbie C. Crans
Summary: A major problem in patient treatments involving anticancer compounds is the occurrence of bacterial infections. This study investigated the growth effects of an anticancerous oxidovanadium(V) complex on a representative bacterium, Mycobacterium smegmatis. The study found that the observed effects of the V-catecholate complex on bacterial growth are a combination of catechol properties including toxicity, hydrophobicity, and sterics.
Article
Medicine, Research & Experimental
Dillon K. Jarrell, Kelly N. Hassell, Ilham Alshiraihi, Debbie C. Crans, Mark A. Brown
Summary: Lysine methylation is an important process in epigenetic regulation, and SMYD3, a lysine methyltransferase, plays a crucial role in the proliferation of various tumorigenic cells. Its aberrant expression modifies established gene expression patterns and drives unrestricted cell proliferation. This article dissects the unique structural features of SMYD3 compared to other enzymes and discusses the implications for selective therapeutic design in cancer management. Furthermore, the ability of inhibitors targeting the SET domain of SMYD3 to reduce the viability of colorectal and lung carcinoma cells is demonstrated.