Physicochemical Investigation of HDDP Azomethine Dye as Turn-On Fluorescent Chemosensor for High Selectivity and Sensitivity of Al<Superscript>3+</Superscript> Ions

4-[(2-Hydroxy-naphthalen-1-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one (HDDP) was synthesized by the reaction of 4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one with 2-hydroxy-l-naphthaldehyde. The structure was confirmed by the IR, ¹H-NMR, ¹³C-NMR, and EI-MS spectra and elemental analysis. Physicochemical parameters of the HDDP such as extinction coefficient, oscillator strength, transition dipole moment, Stokes shift, and fluorescence quantum yield in different solvents were studied on the basis of polarities. The interactions of various metal ions with HDDP were also studied using steady state fluorescence measurements. The emission profile reveals that it acts as off–on type fluorescent chemosensor for selective and sensitive detection of Al³⁺ ions. Complexation stoichiometry and mechanism of enhancement were determined from a Benesi–Hildebrand plot.     

生物催化进展:从计算到代谢工程（英文）

经过数次技术研究和超常创新战略的大发展,生物催化逐渐达到工业化水平,从而受到人们特别的关注.基于酶值,通过生物途径生产高附加值化合物和精细工业化学品成为人们最感兴趣的领域之一.更广泛的众多生物化学路线可由酶催化来实现,其中还有一些酶尚未被人们发现.另一方面,由于非同源底物和某些化学过程所必需的苛刻条件,导致酶催化过程的效率低、稳定性差,因而限制了生物催化的应用.因此,开发具有多催化特征、更高效率和稳定性的绿色催化剂,成为生物催化的重中之重.计算科学、代谢工程、合成生物,以及机器学习路线的运用为新催化剂的工程化提供了新方法.本文重点介绍了合成生物学和代谢工程在催化中的作用,讨论了用于催化的机器学习算法和如何选择一种预测蛋白质-配体相互作用的算法;为了预测键合和催化功能,综述了分子对接的重要性;最后给出了结束语、未来挑战和前景展望.     

Uranyl ion adsorption studies on synthesized phosphoryl functionalised MWCNTs: a mechanistic approach

Nickel hydroxide solubility has been studied in this work in different cementitious systems. Our results indicate that once Glenium^® 27, cement superplasticizer admixture, is added to water and then mixed with cement, this polymeric material is stabilized and not released back to the aqueous solution, with negligible effects on the mobility of nickel. Contrary to that, when Glenium^® 27 is added directly in solution at high dosages, an important effect is observed on nickel behaviour. Thermodynamic calculations indicate that the effect of such component on Ni is likely the effect that other small organics could have over this element.

     

Small Ubiquitin-Like Modifier Protein 3 Enhances the Solubilization of Human Bone Morphogenetic Protein 2 in <Emphasis Type="Italic">E. coli</Emphasis>

Small ubiquitin-like modifier (SUMO) fusion technology is widely used in the production of heterologous proteins from prokaryotic system to aid in protein solubilization and refolding. Due to an extensive clinical application of human bone morphogenetic protein 2 (hBMP2) in bone augmentation, total RNA was isolated from human gingival tissue and mature gene was amplified through RT-PCR, cloned (pET21a), sequence analyzed, and submitted to GenBank (Accession no. KF250425). To obtain soluble expression, SUMO3 was tagged at the N-terminus of hBMP2 gene (pET21a/SUMO3-hBMP2), transferred in BL21 codon+, and ~?40% soluble expression was obtained on induction with IPTG. The dimerized hBMP2 was confirmed with Western blot, native PAGE analysis, and purified by fast protein liquid chromatography with 0.5 M NaCl elution. The cleavage of SUMO3 tag from hBMP2 converted it to an insoluble form. Computational 3D structural analysis of the SUMO3-hBMP2 was performed and optimized by molecular dynamic simulation. Protein-protein interaction of SUMO3-hBMP2 with BMP2 receptor was carried out using HADDOCK and inferred stable interaction. The alkaline phosphatase assay of SUMO3-hBMP2 on C2C12 cells showed maximum 200-ng/ml dose-dependent activity. We conclude that SUMO3-tagged hBMP2 is more suited for generation of soluble form of the protein and addition of SUMO3 tag does not affect the functional activity of hBMP2.     

Structure Breaking/Making Property of Acefylline Piperazine in Aqueous,Aqueous Methanol,and Aqueous Ethylene Glycol Systems

Densities of acefylline piperazine (AP) in aqueous, aqueous methanol, and aqueous ethylene glycol (10% v/v) systems are determined in the concentration range 0.04-0.14±0.001 mol/dm³ at different temperatures (298.15-318.15 K) with the interval of 5 K. The apparent molar volume (φv), the partial molar volume \((\phi_v^0)\), and the ion-ion interaction parameter (S_v) are calculated using the Masson equation. Partial molar expansibilities \((\phi_E^0)\), which indicate the presence or absence of the caging or packing effect, are also evaluated and discussed. The results are interpreted in terms of solute-solvent and solute-solute interactions of AP in aqueous, aqueous methanol, and aqueous ethylene glycol systems. The structure-breaking and structure-making properties of AP are inferred by the sign of Hepler′s criterion \((\partial^2\phi_v^0/\partial{T}^2)_p\), i.e. the second derivative of the partial molar volume with respect to the temperature at the constant pressure.     

Chemical investigation of Cannabis sativa leading to the discovery of a prenylspirodinone with anti-microbial potential

The discovery of a new spiran based natural product, prenylspirodinone (1), together with six known cannabinoids (2–7) from the leaves of Cannabis sativa (Marijuana) is reported. All compounds were screened for antifungal and antibacterial activity against a panel of microbial pathogens and exhibited antimicrobial activities with IC₅₀ values ranging from 2.6 to 49.6?µM. Compound 2, a propyl substituted cannabidiol, was determined to be a specific inhibitor against C. albicans (IC₅₀ 11.9?µM) and can be considered as a new lead against Candidiasis.     

Decomposition of methane over alumina supported Fe and Ni–Fe bimetallic catalyst: Effect of preparation procedure and calcination temperature

Catalytic decomposition of methane has been studied extensively as the production of hydrogen and formation of carbon nanotube is proven crucial from the scientific and technological point of view. In that context, variation of catalyst preparation procedure, calcination temperature and use of promoters could significantly alter the methane conversion, hydrogen yield and morphology of carbon nanotubes formed after the reaction. In this work, Ni promoted and unpromoted Fe/Al₂O₃ catalysts have been prepared by impregnation, sol–gel and co-precipitation method with calcination at two different temperatures. The catalysts were characterized by X-ray diffraction (XRD), N₂ physisorption, temperature programmed reduction (TPR) and thermogravimetric analysis (TGA) techniques. The catalytic activity was tested for methane decomposition reaction. The catalytic activity was high when calcined at 500 °C temperature irrespective of the preparation method. However while calcined at high temperature the catalyst prepared by impregnation method showed a high activity. It is found from XRD and TPR characterization that disordered iron oxides supported on alumina play an important role for dissociative chemisorptions of methane generating molecular hydrogen. The transmission electron microscope technique results of the spent catalysts showed the formation of carbon nanotube which is having length of 32–34 nm. The Fe nanoparticles are present on the tip of the carbon nanotube and nanotube grows by contraction–elongation mechanism. Among three different methodologies impregnation method was more effective to generate adequate active sites in the catalyst surface. The Ni promotion enhances the reducibility of Fe/Al₂O₃ oxides showing a higher catalytic activity. The catalyst is stable up to six hours on stream as observed in the activity results.     

Eco-friendly synthesis of pyrimidines and its derivatives: A review on broad spectrum bioactive moiety with huge therapeutic profile

Among all heterocyclic compounds, pyrimidine is of prime interest, exhibit broad spectrum of biological activities, because of its occurrence in deoxyribonucleic acid bases. The bioactive moiety pyrimidine has a voluminous therapeutic profile as it is a vital component of a series of natural composites and chemotherapeutic drugs. Since from last 50–60 years, this motif has been used commendably against bacterial, tuberculosis viral, malarial, fungal, and cancerous contagions. Recently, numerous pyrimidine derivatives were synthesized and discussed here, fused with other heterocyclic moieties, pyrazole, coumarine, triazole, alkenyloxindole, hydrazine and others, were also investigated for their bioactivities. Amid all recently reported compounds, several exhibit potentials against breast cancer cell lines. Intensive research has been performed and is going ahead with distinctive emphasis on antineoplastic potential of pyrimidine. These widespread medicinal attributes impulse scientists to synthesize more and more biologically active pyrimidine composites by following simple and eco-friendly routes.     

Effect of bovine serum albumin on the surface properties of ionic liquid-type Gemini surfactant

The effect of bovine serum albumin on the surface properties of IL-type gemini surfactant ([C₁₀-4-C₁₀im]Br₂), have been investigated by surface tension method. The critical micelle concentration (CMC) as a function of BSA concentrations at various temperatures was investigated. The CMC of [C₁₀-4-C₁₀im]Br₂ increases with increasing the concentration of BSA as well as the temperature of the system. The interfacial parameters viz; maximum surface excess concentration (Γ_max), the minimum area per molecule (A_min), and surface pressure at CMC (Π_cmc) were calculated. In addition, thermodynamic parameters of adsorption and micellization were evaluated by using surface tension data. The results indicated that the binding of [C₁₀-4-C₁₀im]Br₂ to BSA is spontaneous and exothermic in nature. The process is entropy driven and hydrophobic interactions are the major driving forces.     

Lipid length and iso-branching of trehalose diesters influences Mincle agonist activity

We report on the efficient synthesis of linear trehalose diesters (TDEs) and iso-branched TDEs (maradolipids or iso-TDEs) and their ability to activate bone marrow-derived macrophages (BMDMs) as determined by cytokine (IL-1β, IL-12, IL-6, IL-10) and chemokine (MIP-2) production. Both classes of TDEs were found to activate BMDMs in a Mincle-dependent manner, with longer-chain (≥C18) lipids leading to a robust inflammatory response. On the whole, the iso-branched TDEs led to greater cytokine production and a faster immune response when compared to their linear counterparts. Moreover, C12-TDE and iso-C12-TDE elicited the production of MIP-2 by BMDMs, thereby providing the first example of TDEs with a chain length of ≤ C12 leading to a Mincle-dependent immune response and one that is less inflammatory in nature.