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Journal of Chemistry publishes original research articles as well as review articles on all aspects of fundamental and applied chemistry, including biological, environmental, forensic, inorganic, organic, physical and theoretical.
Journal of Chemistry maintains an Editorial Board of practicing researchers from around the world, to ensure manuscripts are handled by editors who are experts in the field of study.
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Therapeutic Effect of Cu(II) Complex with Photocatalytic Property on Gastric Cancer by Inhibiting the Proliferation of Tumor Cells
In situ hydrolysis of 1,4,5,8-naphthalenetetracarboxylic dianhydride (L) and simultaneous self-assembly with Cu(II) ions afforded a new Cu(II) compound formulated as [Cu(L) (4,4′-bpy)0.5(H2O)]n (1), which is structurally determined by a series of characterization techniques, such as powder X-ray diffraction (PXRD), thermogravimetric Analysis (TGA), and elemental analysis. It is noteworthy that compound 1 can catalyze the degradation of methylene blue (MB) in aqueous solution under UV irradiation. This paper also investigated and evaluated its application value and research mechanism in gastric cancer. However, we also used real-time reverse transcription-polymerase chain reaction (RT-PCR) to detect the activation of vascular endothelial growth factor (VEGF) signaling pathway, and Cell Counting Kit-8 (CCK-8) method was used to calculate the inhibition activity of 1 on gastric cancer cell viability.
On Second Gourava Invariant for -Apex Trees
Let be a simple connected graph. The second Gourava index of graph is defined as where denotes the degree of vertex . If removal of a vertex of forms a tree, then is called an apex tree. Let with . If removal of from forms a tree and any other subset of whose cardinality is less than does not form a tree, then is known as -apex tree. In this paper, we have calculated upper bound for Gourava index with respect to -apex trees.
Structure of Soluble Dietary Fiber from Fresh Rice at the Medium-Milk Stage and Improvement of Insulin Resistance in HepG2 Cells
Fresh rice (Oryza sativa ssp. japonica) at the medium-milk stage is rich in soluble dietary fiber (SDF), leading to potential effects on type 2 diabetes (T2D). In this study, we analyzed each monosaccharide, the relative molecular weight, and the molecular linkages of fresh rice (grain, stem, husk, and leaf) SDF. The examined fresh rice leaf SDF consisted of 31.9% glucose, 35.7% galactose, 15.3% arabinose, 11.7% mannose, and a small amount of rhamnose and xylose. The molecular weight () was , and the radius of gyration () was . The glycosidic bonds consisted mainly of Araf and Glc/Gal and included 1,3-Araf, 1,5-Araf, and 3,5-Araf glycosidic bonds. The effect of fresh rice leaf SDF on insulin resistance (IR) in HepG2 cells showed that it could significantly enhance glucose consumption (). It also decreased the malondialdehyde (MDA) content () and increased the total superoxide dismutase (T-SOD) and glutathione peroxidase (GSH-Px) activities () in a dose-dependent manner. Therefore, fresh rice leaf SDF might be a good dietary supplement for treating T2D.
Deep Learning-Based Prediction of Physical Stability considering Class Imbalance for Amorphous Solid Dispersions
This research is aimed at predicting the physical stability for amorphous solid dispersion by utilizing deep learning methods. We propose a prediction model that effectively learns from a small dataset that is imbalanced in terms of class. In order to overcome the imbalance problem, our model performs a hybrid sampling which combines synthetic minority oversampling technique (SMOTE) algorithm with edited nearest neighbor (ENN) algorithm and reduces the dimensionality of the dataset using principal component analysis (PCA) algorithm during data preprocessing. After the preprocessing, it performs the learning process using a carefully designed neural network of simple but effective structure. Experimental results show that the proposed model has faster training convergence speed and better test performance compared to the existing DNN model. Furthermore, it significantly reduces the computational complexity of both training and test processes.
Structural, Electronic, and Charge Transport Properties of New Materials based on 2-(5-Mercapto-1,3,4-Oxadiazol-2-yl) Phenol for Organic Solar Cells and Light Emitting Diodes by DFT and TD-DFT
This work reports on the density functional theory (DFT) and its time-dependent extension (TD-DFT) study of the structural, electronic, and charge transport properties of 2-(5-mercapto-1,3,4-oxadiazol-2-yl) phenol (MODP) and some of its transition M2+ complexes (M = Fe, Co, Cu, Ni, Zn, Pd, Pt). Reorganization energy, integral charge transfer, mobility, open circuit voltage, and electronic properties of these compounds have been calculated by employing the global hybrid functional PBE0 in conjunction with the Karlsruhe basis set def2-TZVP. Results show that MODP and its transition metal complexes are good electron donors for organic solar cells (OSC) owing to their relatively higher HOMO and LUMO energies compared to the prototypical (6, 6)-phenyl-C61-butyric acid methyl ester (PCBM). Energy gaps ranging between 2.502 and 4.455 eV, energy driving forces (∆EL-L) ranging between 2.08 and 2.44 eV, and large open circuit voltages () ranging from 1.12 to 2.05 eV were obtained. The results also revealed that MODP and its Pd(II) and Pt(II) complexes could serve as ambipolar charge transport materials owing to their very small reorganization energies, integral charge transfers, high rate charge transfers, and mobilities. All studied molecules showed OSC donor and hole/electron transport characteristics required by organic light-emitting diodes (OLEDs). Based on these results, new ways for designing charge transport materials for OLEDs as well as donor materials in OSCs are proposed.
Study on the Extraction of Cerium(IV) from Nitric Acid Medium with tri-Isoamyl Phosphate
This paper studied the extraction behavior of tri-isoamyl phosphate (TiAP)/n-dodecane as extractant for Ce(IV) in a nitric acid medium. In the study of extraction of pure Ce(IV) solution, the test results show that when the organic phase and the water phase ratio is 1: 1, the organic phase and the water phase are mixed and contacted for 90 s, and the pH value is 0-2.0, the extraction tends to be balanced, and the complexes formed by the extraction are theoretically deduced and obtained the theoretical molecular formula of the complex is Ce(NO3)4·nTiAP, where is between 2 and 3; under this condition, the extraction rate of pure Ce(IV) can reach 99.45% after 16-stage countercurrent extraction test; the relative standard deviation is less than 2%. In the extraction of Ce(IV) solution containing other metal ions, the test results show that the extraction rate of 0.05 mol·L-1 TiAP/n-dodecane solution to the material liquid containing Ce(IV) 0.005 g·L-1 is about 64%. However, the experiment found that the extraction rate tends to decrease with the increase of the material liquid’s standing time. After 24 hours, the extraction rate is close to 0. Then, the experiment researched the influence of each metal ion component on the extraction after standing and obtained the metal. In the presence of ionic components, the extraction rate tends to decrease with the increase of the liquid standing time. Considering the strong oxidizing property of Ce4+ under acidic conditions, the experimental study of TiAP on Ce3+ and Ce4+ mixtures with different percentages. The results show that as the percentage of Ce3+ in the feed liquid increases, the extraction rate is in a downward trend, and the trend is consistent with the increase in the standing time on the extraction rate. The original liquid contains impurity Ce4+ is slowly reduced to Ce3+, which affects the extraction results. Studies have shown that TiAP of 0.05 mol·L-1 performs well for the extraction of Ce4+ in pure Ce(IV) solution; TiAP of 0.05 mol·L-1 is effective for extraction of Ce(III) solution of 0 ~ 5 mg·L-1. The effect of Ce3+ is not obvious; because Ce4+ is too oxidizing, when other metal ions studied are present at the concentration studied, it will accelerate the reduction of Ce4+ and affect the extraction results.