Topic
Chemical binding
About: Chemical binding is a research topic. Over the lifetime, 1822 publications have been published within this topic receiving 52516 citations.
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TL;DR: A review of basic concept and methodology of HDX-MS, how it is being applied for identifying the sites and structural changes in proteins following their interactions with other proteins and small molecules, and the potential of this tool to help in drug discovery are presented.
Abstract: Protein structures are dynamically changed in response to post-translational modifications, ligand or chemical binding, or protein–protein interactions. Understanding the structural changes that occur in proteins in response to potential candidate drugs is important for predicting the modes of action of drugs and their functions and regulations. Recent advances in hydrogen/deuterium exchange mass spectrometry (HDX-MS) have the potential to offer a tool for obtaining such understanding similarly to other biophysical techniques, such as X-ray crystallography and high resolution NMR. We present here, a review of basic concept and methodology of HDX-MS, how it is being applied for identifying the sites and structural changes in proteins following their interactions with other proteins and small molecules, and the potential of this tool to help in drug discovery.
25 citations
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TL;DR: The data suggest that binding type between As and Fe oxide should be considered when determining the bioaccessibility of As in soil, which, in turn, greatly influences the realistic risk of As present in soil.
25 citations
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TL;DR: Results show that the ACT uptake and mechanism of action are similar in the 2 cell lines, while A549 cells exhibits spectral signatures of resistance to apoptosis related to its higher chemoresistance to the anticancer drug ACT.
Abstract: The applications of Raman microspectroscopy have been extended in recent years into the field of clinical medicine, and specifically in cancer research, as a non-invasive diagnostic method in vivo and ex vivo, and the field of pharmaceutical development as a label-free predictive technique for new drug mechanisms of action in vitro. To further illustrate its potential for such applications, it is important to establish its capability to fingerprint drug mechanisms of action and different cellular reactions. In this study, cytotoxicity assays were employed to establish the toxicity profiles for 48 and 72 hours exposure of lung cancer cell lines, A549 and Calu-1, after exposure to Actinomycin D (ACT) and Raman micro-spectroscopy was used to track its mechanism of action at subcellular level and subsequent cellular responses. Multivariate data analysis was used to elucidate the spectroscopic signatures associated with ACT chemical binding and cellular resistances. Results show that the ACT uptake and mechanism of action are similar in the 2 cell lines, while A549 cells exhibits spectral signatures of resistance to apoptosis related to its higher chemoresistance to the anticancer drug ACT. The observations are discussed in comparison to previous studies of the similar anthracyclic chemotherapeutic agent Doxorubicin. A, Preprocessed Raman spectrum of ACT stock solution dissolved in sterile water and mean spectrum with SD of (B) nucleolus, (C) nucleus and (D) cytoplasm of A549 cell lines after 48 hours exposure to the corresponding IC50 .
25 citations
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TL;DR: LiCl-intercalated graphitic carbon nitride (LiClCN-4 h) was fabricated through well-controlled molten salt synthesis as discussed by the authors, and the as-prepared materials presented hollow tube morphology with tetragonal geometric configurations.
Abstract: The functional groups and intercalated ions in the structure of graphitic carbon nitrides can be tailored to attain excellent physiochemical properties for environmental remediation. In this work, a highly crystallized lithium chloride-intercalated graphitic carbon nitride (LiCl-CN) material was fabricated through well-controlled molten salt synthesis. The as-prepared materials presented hollow tube morphology with tetragonal geometric configurations. Batch adsorption experiments showed that the LiCl-intercalated graphitic carbon nitride (LiCl-CN-4 h) exhibited excellent lead cation (Pb(II)) adsorption capacity (172.41 mg g−1) at pH 5.5. Thermodynamic parameters revealed the endothermic and spontaneous nature of Pb(II) adsorption on LiCl-CN-4 h, and the kinetics results demonstrated that chemisorption dominated the adsorption process. X-ray diffraction analysis indicated that the intercalation of Cl and Li can lead to a larger interlayer spacing between carbon nitride layers. An X-ray photoelectron spectroscopy and X-ray absorption spectroscopy investigation further elucidated the chemical binding sites of Cl–Pb in the lattice of LiCl-CN, indicating the intercalation of Cl− ions contributed to the large improvement of Pb(II) adsorption capacity in g-C3N4 materials. The experimental results demonstrate that this is a facile and environmentally friendly strategy for synthesizing highly crystalline LiCl-CN with hollow tube morphology, and that the material showed promise for efficient Pb(II) removal in environmental remediation applications.
25 citations
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TL;DR: In this article, a mixture of optical and X-ray photoelectron spectroscopy was used to show that chemical binding of charge transport layers to CH3NH3PbI3 defect sites is an integral part of the interfacial charge injection mechanism in both n-i p and p-i n architectures.
Abstract: Understanding interfacial charge transfer processes such as trap-mediated recombination and injection into charge transport layers (CTLs) is crucial for the improvement of perovskite solar cells. Herein, we reveal that the chemical binding of charge transport layers to CH3NH3PbI3 defect sites is an integral part of the interfacial charge injection mechanism in both n-i-p and p-i-n architectures. Specifically, we use a mixture of optical and X-ray photoelectron spectroscopy to show that binding interactions occur via Lewis base interactions between electron-donating moieties on hole transport layers and the CH3NH3PbI3 surface. We then correlate the extent of binding with an improvement in the yield and longer lifetime of injected holes with transient absorption spectroscopy. Our results show that passivation-mediated charge transfer has been occurring undetected in some of the most common perovskite configurations and elucidate a key design rule for the chemical structure of next-generation CTLs.
25 citations