CMMSE-on the first general Zagreb index

The aim of this paper is to obtain new inequalities involving the first general Zagreb index, and characterize graphs which are extremal with respect to them. We also obtain inequalities involving the forgotten and second general Zagreb indices.     

New upper bounds on Zagreb indices

The first Zagreb index M ₁(G) is equal to the sum of squares of the degrees of the vertices, and the second Zagreb index M ₂(G) is equal to the sum of the products of the degrees of pairs of adjacent vertices of the underlying molecular graph G. In this paper we obtain an upper bound on the first Zagreb index M ₁(G) of G in terms of the number of vertices (n), number of edges (m), maximum vertex degree (Δ₁), second maximum vertex degree (Δ₂) and minimum vertex degree (δ). Using this result we find an upper bound on M ₂(G). Moreover, we present upper bounds on and in terms of n,  m, Δ₁, Δ₂, δ, where denotes the complement of G.     

Some properties of the reformulated Zagreb indices

Miličević, Nikolić and Trinajstić (Mol Divers 8:393–399, 2004) proposed the reformed Zagreb indices in 2004. Now we give some properties for the reformed Zagreb indices.     

Sharp Bounds for the Second Zagreb Index of Unicyclic Graphs

The second Zagreb index M ₂(G) of a (molecule) graph G is the sum of the weights d(u)d(v) of all edges uv of G, where d(u) denotes the degree of the vertex u. In this paper, we give sharp upper and lower bounds on the second Zagreb index of unicyclic graphs with n vertices and k pendant vertices. From which, and C _n have the maximum and minimum the second Zagreb index among all unicyclic graphs with n vertices, respectively.     

液体混合物的推广Vander Waals理论

本文通过对Van der Waals模型中排斥体积的修正, 建立了一个液体状态方程式,并将它推广到了二元液体混合物, 预测和关联了液体混合物的过量性质, 计算结果表明, 可与Flory理论相比拟, 但所需提供的纯组分性质比Flory理论少, 计算也得到了简化.     

现实增强技术在化学教学中的研究现状与启示

通过文献研究的方法,探讨了现实增强技术在化学教学应用中的研究现状、教学应用价值和未来的研究方向。研究表明,现实增强技术在化学教学中具有较广阔的应用前景,合理使用将会带来化学教学方式和教学模式新的变革。化学现实增强教学研究需要实现由技术应用到化学教学整合的转变,关注学习过程研究,寻求硬件、技术和教师专业能力限制的突破,并以理性的眼光来审视其在化学实验教学、教育现实中的应用路径。     

Exchangeable fraction of elements in alluvial sediments under waste disposal site (Zagreb, Croatia)

Concentrations of Ag, Ba, Cd, Ce, Cs, Co, Cr, Eu, Fe, Rb, Sc, Sr, Th, and Zn exchangeable fractions were determined in alluvial sediments at waste disposal site area in the vicinity of water-well field. Samples have been leached with 0.5M NH₄Cl at a sample/solution ratio of 120 during 24 hours without shaking. INAA of dry NH₄Cl residues show that the concentrations of exchangeable elements determined in the most of the sediments below the wastes have natural levels. Ag, Ba and Sr are readily exchangeable; Rb, Cs and Zn have lower exchangeability, while Cd, Ce, Th, Sc, Eu, Cr, Fe and Co are rather immobile. Extremely high total and exchangeable silver concentration was found at 6.5–6.8 meters below waste in the aerated layer occasionally under the water table. Exchangeable concentrations in deeper water-bearing sediment layers are not elevated. Due to this, one can presume that the upper sediment layers act as chemical filter generally preventing the infiltration from overlying wastes into water-bearing layers.     

Augmented formic acid electro-oxidation at a co-electrodeposited Pd/Au nanoparticle catalyst

In this study, the formic acid electro-oxidation reaction (FAEOR) was catalyzed on a Pd-Au co-electrodeposited binary catalyst. The kinetics of FAEOR were intensively impacted by changing the Pd²⁺:Au³⁺ molar ratio in the deposition medium. The Pd₁-Au₁ catalyst (for which the Pd²⁺:Au³⁺ molar ratio was 1:1) acquired the highest activity with a peak current density for the direct FAEOR (I_p) of 4.14 mA cm^?2 (ca. 13- times higher than that (ca. 0.33 mA cm^?2) of the pristine Pd₁-Au₀ catalyst). It also retained the highest stability that was denoted in fulfilling ca. 0.292 mA cm^?2 (ca. 19-times higher than 0.015 mA cm^?2 of the pristine Pd₁-Au₀ catalyst) after 3600 s of continuous electrolysis at 0.05 V. The CO stripping and impedance measurements confirmed, respectively, the geometrical and electronic enhancements in the proposed catalyst.     

Folate Functionalized and Evodiamine-Loaded Pluronic Nanomicelles for Augmented Cervical Cancer Cell Killing

Evodiamine (Evo) is a natural, biologically active plant alkaloid with wide range of pharmacological activities. In the present study Evo-loaded folate-conjugated Pluronic F108 nano-micelles (ENM) is synthesized to enhance the therapeutic efficacy of Evo against cervical cancer. ENM are synthesized, physicochemically characterized and in vitro anticancer activity is performed. The study demonstrates that ENM have nanoscale size (50.33 ± 3.09 nm), monodispersity of 0.122 ± 0.072, with high drug encapsulation efficiency (71.30 ± 3.76%) and controlled drug release at the tumor microenvironment. ENM showed dose-dependent and time-dependent cytotoxicity against HeLa human cervical cancer cells. The results of in vitro anticancer studies demonstrated that ENM have significant anticancer effects and greatly induce apoptosis as compared to pure Evo. The cellular uptake study suggests that increased anticancer activity of ENM is due to the improved intracellular delivery of Evo through overexpressed folate receptors. Overall, the designed ENM can be a potential targeted delivery system for hydrophobic anticancer bioactive compound like Evo.     

Deciphering Oxygen-Independent Augmented Photodynamic Oncotherapy by Facilitating the Separation of Electron-Hole Pairs

Developing Type-I photosensitizers provides an attractive approach to solve the dilemma of inadequate efficacy of photodynamic therapy (PDT) caused by the inherent oxygen consumption of traditional Type-II PDT and anoxic tumor microenvironment. The challenge for the exploration of Type-I PSs is to facilitate the electron transfer ability of photosensitization molecules for transforming oxygen or H₂O to reactive oxygen species (ROS). Herein, we propose an electronic acceptor-triggered photoinduced electron transfer (a-PET) strategy promoting the separation of electron-hole pairs by marriage of two organic semiconducting molecules of a non-fullerene scaffold-based photosensitizer and a perylene diimide that significantly boost the Type-I PDT pathway to produce plentiful ROS, especially, inducing 3.5-fold and 2.5-fold amplification of hydroxyl (OH⋅) and superoxide (O₂⁻⋅) generation. Systematic mechanism exploration reveals that intermolecular electron transfer and intramolecular charge separation after photoirradiation generate a competent production of radical ion pairs that promote the Type-I PDT process by theoretical calculation and ultrafast femtosecond transient absorption (fs-TA) spectroscopy. By complementary tumor diagnosis with photoacoustic imaging and second near-infrared fluorescence imaging, this as-prepared nanoplatform exhibits fabulous photocytotoxicity in harsh hypoxic conditions and terrific cancer revoked abilities in living mice. We envision that this work will broaden the insight into high-efficiency Type-I PDT for cancer phototheranostics.     

Type I Photosensitizer Targeting G-Quadruplex RNA Elicits Augmented Immunity for Cancer Ablation

Type I photodynamic therapy (PDT) represents a promising treatment modality for tumors with intrinsic hypoxia. However, type I photosensitizers (PSs), especially ones with near infrared (NIR) absorption, are limited and their efficacy needs improvement via new targeting tactics. We develop a NIR type I PS by engineering acridinium derived donor-π-acceptor systems. The PS exhibits an exclusive type I PDT mechanism due to effective intersystem crossing and disfavored energy transfer to O₂, and shows selective binding to G-quadruplexes (G4s) via hydrogen bonds identified by a molecular docking study. Moreover, it enables fluorogenic detection of G4s and efficient O₂⋅⁻ production in hypoxic conditions, leading to immunogenic cell death and substantial variations of gene expression in RNA sequencing. Our strategy demonstrates augmented antitumor immunity for effective ablation of immunogenic cold tumor, highlighting its potential of RNA-targeted type I PDT in precision cancer therapy.