An MPI-based parallel genetic algorithm for multiple geographical feature label placement based on the hybrid of fixed-sliding models

Multiple Geographical Feature Label Placement (MGFLP) has been a fundamental problem in geographic information visualization for decades. Moreover, the nature of label positioning has proven to be an Nondeterministic polynomial-time hard (NP-hard) problem. Although advances in computer technology and robust approaches have addressed the problem of label positioning, the lengthy running time of MGFLP has not been a major focus of recent studies. Based on a hybrid of the fixed-position and sliding models, a Message Passing Interface (MPI) parallel genetic algorithm is proposed in the present study for MGFLP to label mixed types of geographical features. To evaluate the quality of label placement, a quality function is defined based on four quality metrics: label-feature conflict; label-label conflict; label association with the corresponding feature; label position priority for all three types of features. The experimental results show that the proposed algorithm outperforms the DDEGA, DDEGA-NM, and Parallel-MS in both label placement quality and computation time efficiency. Across three datasets, compared to Parallel-MS, running times decreased from 118.45 to 8.34, 45.98 to 3.51, and 20.01 to 0.43 min, with further reductions in label-label and label-feature conflicts.</p

Engineering of Unspecific Peroxygenases Using a Superfolder-Green-Fluorescent-Protein-Mediated Secretion System in Escherichia coli

Unspecific peroxygenases (UPOs), secreted by fungi, demonstrate versatility in catalyzing challenging selective oxyfunctionalizations. However, the number of peroxygenases and corresponding variants with tailored selectivity for a broader substrate scope is still limited due to the lack of efficient engineering strategies. In this study, a new unspecific peroxygenase from Coprinopsis marcescibilis (CmaUPO) is identified and characterized. To enhance or reverse the enantioselectivity of wildtype (WT) CmaUPO catalyzed asymmetric hydroxylation of ethylbenzene, CmaUPO was engineered using an efficient superfolder-green-fluorescent-protein (sfGFP)-mediated secretion system in Escherichia coli. Iterative saturation mutagenesis (ISM) was used to target the residual sites lining the substrate tunnel, resulting in two variants: T125A/A129G and T125A/A129V/A247H/T244A/F243G. The two variants greatly improved the enantioselectivities [21% ee (R) for WT], generating the (R)-1-phenylethanol or (S)-1-phenylethanol as the main product with 99% ee (R) and 84% ee (S), respectively. The sfGFP-mediated secretion system in E. coli demonstrates applicability for different UPOs (AaeUPO, CciUPO, and PabUPO-I). Therefore, this developed system provides a robust platform for heterologous expression and enzyme engineering of UPOs, indicating great potential for their sustainable and efficient applications in various chemical transformations

In Situ X‑ray Absorption Spectroscopy Studies of Kinetic Interaction between Platinum(II) Ions and UiO-66 Series Metal–Organic Frameworks

The interaction of guest Pt­(II) ions with UiO-66–X (X = NH₂, H, NO₂, OMe, F) series metal–organic frameworks (MOFs) in aqueous solution was investigated using in situ X-ray absorption spectroscopy. All of these MOFs were found to be able to coordinate with Pt­(II) ions. The Pt­(II) ions in UiO-66–X MOFs generally coordinate with 1.6–2.4 Cl and 1.4–2.4 N or O atoms. We also studied the time evolution of the coordination structure and found that Pt­(II) maintained a coordination number of 4 throughout the whole process. Furthermore, the kinetic parameters of the interaction of Pt­(II) ions with UiO-66–X series MOFs (X = NH₂, H, NO₂, OMe, F) were determined by combinational linear fitting of extended X-ray absorption fine structure (EXAFS) spectra of the samples. The Pt­(II) adsorption rate constants were found to be 0.063 h^–1 for UiO-66–NH₂ and 0.011–0.017 h^–1 for other UiO-66–X (X = H, NO₂, OMe, F) MOFs, which means that Pt­(II) adsorption in UiO-66–NH₂ is 4–6 times faster than that in other UiO-66 series MOFs. FTIR studies suggested that the carboxyl groups could be the major host ligands binding with Pt­(II) ions in UiO-66 series MOFs, except for UiO-66–NH₂, in which amino groups coordinate with Pt­(II) ions

Tandem Catalysis by Palladium Nanoclusters Encapsulated in Metal–Organic Frameworks

A bifunctional Zr-MOF catalyst containing palladium nanoclusters (NCs) has been developed. The formation of Pd NCs was confirmed by transmission electron microscopy (TEM) and extended X-ray absorption fine structure (EXAFS). Combining the oxidation activity of Pd NCs and the acetalization activity of the Lewis acid sites in UiO-66-NH₂, this catalyst (Pd@UiO-66-NH₂) exhibits excellent catalytic activity and selectivity in a one-pot tandem oxidation-acetalization reaction. This catalyst shows 99.9% selectivity to benzaldehyde ethylene acetal in the tandem reaction of benzyl alcohol and ethylene glycol at 99.9% conversion of benzyl alcohol. We also examined various substituted benzyl alcohols and found that alcohols with electron-donating groups showed better conversion and selectivity compared to those with electron-withdrawing groups. We further proved that there was no leaching of active catalytic species during the reaction and the catalyst can be recycled at least five times without significant deactivation

Cytotoxic tremulanes and 5,6-secotremulanes, four new sesquiterpenoids from a plant-associated fungus X1-2

<p>Two new tremulanes and two new 5,6-secotremulanes, davotremulanes A-D <b>1</b>–<b>4</b>, along with four known compounds <b>5</b>–<b>8</b>, were isolated from the culture extract of X1-2, an unidentified plant-associated fungus, which was isolated from the endangered plant, <i>Davidia involucrate</i> Baill. in Shennongjia District. The structures of new compounds <b>1</b>–<b>4</b> were established on the basis of extensive spectroscopic analysis. Compounds <b>1</b>–<b>8</b> were evaluated for cytotoxic activity to four cancer cell lines, and compounds <b>1</b>, <b>2</b> and <b>5</b> displayed selectively moderate activities to A549 cell line with IC₅₀ at 15.3, 25.2, 35.2 μg/mL.</p

Figure 2

<p><b>Transfection efficiency and </b><b><i>in vivo</i></b><b> bioluminescence imaging.</b> (A) Expression of miR-26a after transfection with different concentrations of Ad5-anti-miR-26a-LUC, Ad5-LUC, or no transfection (control). (B) Expression of miR-26a after transfection with different concentrations of Ad5-miR-26a-LUC, Ad5-LUC, or no transfection (control). The degree of bioluminescence was the greatest in Ad5-anti-miR-26a-LUC (AA) group (C), less in Ad5-LUC (AL) group (E), and the weakest in Ad5-miR-26a-LUC (AM) group (D). The mice in control group showed no bioluminescence image (F). ^*<i>P</i><0.05, ^**<i>P</i><0.01, ^***<i>P</i><0.001.</p

Primers used in reverse transcription and quantitative real-time PCR.

<p>Primers used in reverse transcription and quantitative real-time PCR.</p

Figure 4

<p><b>CCND2 and CCNE2 are potential targeted genes of miR-26a.</b> (A) Anti-miR-26a expression increased the mRNA expression of CCND2 and CCNE2 as shown by qRT-PCR. Conversely, miR-26a over-expression declined the mRNA expression of the two genes. The mRNA expression of CCNE1 and CDK6 showed no obvious change. (B) Anti-miR-26a expression up-regulated the protein expression of CCND2 and CCNE2. In contrast, miR-26a over-expression down-regulated the protein expression of CCND2 and CCNE2. The protein expression of CCNE1 and CDK6 showed no obvious change. (C and D) Expression of CCND1 and CCND3 in both mRNA and protein level showed no obvious changes. ^*<i>P</i><0.05, ^**<i>P</i><0.01, ^***<i>P</i><0.001.</p

Figure 3

<p><b>Anti-miR-26a expression promotes liver regeneration and improves liver function in mice.</b> (A) LBWR of mice transfected with Ad5-anti-miR-26a-LUC (AA), Ad5-miR-26a-LUC (AM) and Ad5-LUC (AL). There was an increased LBWR in AA group compared to AL group (<i>P</i><0.001), and a decreased LBWR in AM group can be seen compared with AL group at 120 h (<i>P</i><0.001). (B) The Ki-67 proliferation index (PI) after 70% PH and transfection, was significantly higher in AA group compared with AL group (<i>P</i><0.001), while lower in AM group in comparison with AL group (<i>P</i><0.001). (C-E) Liver function tests after transfection, worse liver functions could be observed in AM group compared with AL group. ^*<i>P</i><0.05, ^**<i>P</i><0.01, ^***<i>P</i><0.001.</p

Lowering Band Gap of an Electroactive Metal–Organic Framework via Complementary Guest Intercalation

A new honeycomb-shaped electroactive metal–organic framework (MOF) has been constructed from an electron deficient naphthalenediimide (NDI) ligand equipped with two terminal salicylic acid groups. π-Intercalation of electron-rich planar tetrathiafulvalene (TTF) guests between the NDI ligands stacked along the walls lowers the electronic band gap of the material by ca. 1 eV. An improved electron delocalization through the guest-mediated π-donor/acceptor stacks is attributed to the diminished band gap of the doped material, which forecasts an improved electrical conductivity