Poor mood, lack of pleasure, reduced focus, remorse, unpleasant thoughts, and sleep difficulties are all symptoms of depression. The only approved treatment for children and adolescents with major depressive disorder (MDD) is fluoxetine hydrochloride (FXN), a serotonin selective reuptake inhibitor antidepressant. MDD is the most common cause of disability worldwide. In the present research, picric acid (PA); dinitrobenzene; p-nitro benzoic acid; 2,6-dichloroquinone-4-chloroimide; 2,6-dibromoquinone-4-chloroimide; and 7,7′,8,8′-tetracyanoquinodimethane were used to make 1:1 FXN charge-transfer compounds in solid and liquid forms. The isolated complexes were then characterized by elemental analysis, conductivity, infrared, Raman, and 1H-NMR spectra, thermogravimetric analysis, scanning electron microscopy, and X-ray powder diffraction. Additionally, a molecular docking investigation was conducted on the donor moiety using FXN alone and the resulting charge transfer complex [(FXN)(PA)] as an acceptor to examine the interactions against two protein receptors (serotonin or dopamine). Interestingly, the [(FXN)(PA)] complex binds to both serotonin and dopamine more effectively than the FXN drug alone. Furthermore, [(FXN)(PA)]–serotonin had a greater binding energy than [FXN]–serotonin. Theoretical data were also generated by density functional theory simulations, which aided the molecular geometry investigation and could be beneficial to researchers in the future. 相似文献
In recent years, a new class of highly crystalline advanced permeable materials covalent-organic frameworks (COFs) have garnered a great deal of attention thanks to their remarkable properties, such as their large surface area, highly ordered pores and channels, and controllable crystalline structures. The lower physical stability and electrical conductivity, however, prevent them from being widely used in applications like photocatalytic activities and innovative energy storage and conversion devices. For this reason, many studies have focused on finding ways to improve upon these interesting materials while also minimizing their drawbacks. This review article begins with a brief introduction to the history and major milestones of COFs development before moving on to a comprehensive exploration of the various synthesis methods and recent successes and signposts of their potential applications in carbon dioxide (CO2) sequestration, supercapacitors (SCs), lithium-ion batteries (LIBs), and hydrogen production (H2-energy). In conclusion, the difficulties and potential of future developing with highly efficient COFs ideas for photocatalytic as well as electrochemical energy storage applications are highlighted. 相似文献
Hydrolysis is the heart of the lignocellulose-to-bioethanol conversion process. Using enzymes to catalyze the hydrolysis represents a more environmentally friendly pathway compared to other techniques. However, for the process to be economically feasible, solving the product inhibition problem and enhancing enzyme reusability are essential. Prior research demonstrated that a flat-sheet membrane bioreactor (MBR), using an inverted dead-end filtration system, could achieve 86.7% glucose yield from purified cellulose in 6 h. In this study, the effectiveness of flat-sheet versus radial-flow MBR designs was assessed using real, complex lignocellulose biomass, namely date seeds (DSs). The tubular radial-flow MBR used here had more than a 10-fold higher membrane surface area than the flat-sheet MBR design. With simultaneous product separation using the flat-sheet inverted dead-end filtration MBR, a glucose yield of 10.8% from pretreated DSs was achieved within 8 h of reaction, which was three times higher than the yield without product separation, which was only 3.5% within the same time and under the same conditions. The superiority of the tubular radial-flow MBR to hydrolyze pretreated DSs was confirmed with a glucose yield of 60% within 8 h. The promising results obtained by the novel tubular MBR could pave the way for an economic lignocellulose-to-bioethanol process. 相似文献
Multi-drug resistance (MDR) bacterial pathogens pose a threat to global health and warrant the discovery of new therapeutic molecules, particularly those that can neutralize their virulence and stop the evolution of new resistant mechanisms. The superbug nosocomial pathogen, Pseudomonas aeruginosa, uses a multiple virulence factor regulator (MvfR) to regulate the expression of multiple virulence proteins during acute and persistent infections. The present study targeted MvfR with the intention of designing novel anti-virulent compounds, which will function in two ways: first, they will block the virulence and pathogenesis P. aeruginosa by disrupting the quorum-sensing network of the bacteria, and second, they will stop the evolution of new resistant mechanisms. A structure-based virtual screening (SBVS) method was used to screen druglike compounds from the Asinex antibacterial library (~5968 molecules) and the comprehensive marine natural products database (CMNPD) (~32 thousand compounds), against the ligand-binding domain (LBD) of MvfR, to identify molecules that show high binding potential for the relevant pocket. In this way, two compounds were identified: Top-1 (4-((carbamoyloxy)methyl)-10,10-dihydroxy-2,6-diiminiodecahydropyrrolo[1,2-c]purin-9-yl sulfate) and Top-2 (10,10-dihydroxy-2,6-diiminio-4-(((sulfonatocarbamoyl)oxy)methyl)decahydropyrrolo[1,2-c]purin-9-yl sulfate), in contrast to the co-crystallized M64 control. Both of the screened leads were found to show deep pocket binding and interactions with several key residues through a network of hydrophobic and hydrophilic interactions. The docking results were validated by a long run of 200 ns of molecular dynamics simulation and MM-PB/GBSA binding free energies. All of these analyses confirmed the presence of strong complex formation and rigorous intermolecular interactions. An additional analysis of normal mode entropy and a WaterSwap assay were also performed to complement the aforementioned studies. Lastly, the compounds were found to show an acceptable range of pharmacokinetic properties, making both compounds potential candidates for further experimental studies to decipher their real biological potency. 相似文献
A series of [W(CO)4]2(-dppa)(-DTA) type complexes [dppa = Ph2P(CH2)nPPh2, n = 2(dppe), 4(dppb), 6(dpph), 10(dppd); DTA = tBuS(CH2)mStBu, m = 3(DTN), 4(DTD), 5(DTUD), 6(DTDD)] containing doubly bridged bisphosphine and dithiaalkane ligands have been prepared by stepwise replacement of piperidine (pip) from cis-W(CO)4(pip)2 complex. In addition, complexes of general formulae [W(CO)4]2(-dppa)2 and [Mo(CO)4]2(-DTA)2 have been prepared by similar methods. These new complexes have been characterized by i.r. spectroscopy and elemental analysis. 相似文献
Zeolites are often used as supports for metals and metal oxides because of their well-defined microporous structure and high surface area. In this study, nano-zeolite Y (50–150 nm range) and micro-zeolite Y (500–800 nm range) were loaded with WO3, by impregnating the zeolite support with ammonium metatungstate and thermally decomposing the salt thereafter. Two different loadings of WO3 were studied, 3 wt.% and 5 wt.% with respect to the overall catalyst. The prepared catalysts were characterized for their morphology, structure, and surface areas through scanning electron microscope (SEM), XRD, and BET. They were further compared for their electrocatalytic activity for hydrogen evolution reaction (HER) in 0.5 M H2SO4. On comparing the bare micro-zeolite particles with the nano-form, the nano-zeolite Y showed higher currents with comparable overpotentials and lower Tafel slope of 62.36 mV/dec. WO3 loading brought about a change in the electrocatalytic properties of the catalyst. The overpotentials and Tafel slopes were observed to decrease with zeolite-3 wt.% WO3. The smallest overpotential of 60 mV and Tafel slope of 31.9 mV/dec was registered for nano-zeolite with 3 wt.% WO3, while the micro-zeolite gave an overpotential of 370 mV and a Tafel slope of 98.1 mV/dec. It was concluded that even with the same metal oxide loading, nano-zeolite showed superior performance, which is attributed to its size and hence easier escape of hydrogen bubbles from the catalyst. 相似文献
Alpha spectrometry is used for qualitative and quantitative analysis of actinides in biological and environmental samples. This technique requires a thin, homogenous and carrier-free deposit. Numerous methods for source preparation are electrolytic deposition, spontaneous deposition, micro-precipitation, direct evaporation, vacuum sublimation, etc. The most widely used method for preparation of actinides for alpha spectrometry is electro-deposition of actinides onto a stainless steel planchette. This procedure is time consuming, requires elaborate equipment and is expensive. Micro-precipitation method on the other hand is comparatively faster and more reliable. Thus, the present study was taken-up to optimize various parameters for rapid alpha source preparation of actinides by micro-precipitation method.