Biochemical changes induced by grape seed extract and low level laser therapy administration during intraoral wound healing in rat liver: an experimental and in silico study

In the present study, the changes that occur in rat liver tissue as a result of the use of grape seed extract (GSE) and low level laser therapy (LLLT) in intraoral wound (IW) healing are analyzed using biochemical parameters. Diode laser application groups received 8 J/cm² dose LLLT once a day for 4 days (810 nm wavelength, continuous mode, 0.25 W, 9 s). As a result of the biological parameter analysis, it was determined that the oxidative damage caused by the IWs and recovery period on 7th and 14th days could be substantially removed with GSE applications that have antioxidant capacity especially in rat liver tissue. In addition, the active compound of grape seed, catechin is studied in the active site of glycogen synthase kinase 3 (GSK3) target using molecular modeling approaches. Post-processing molecular dynamics (MD) results for catechin is compared with a standard GSK3 inhibitor. MD simulations assisted for better understanding of inhibition mechanism and the crucial amino acids contributing in the ligand binding. These results along with a through free energy analysis of ligands using sophisticated simulations methods are quite striking and it suggests a greater future role for simulation in deciphering complex patterns of molecular mechanism in combination with methods for understanding drug-receptor interactions.     

Dissecting Solidago canadensis–soil feedback in its real invasion

The importance of plant–soil feedback (PSF) has long been recognized, but the current knowledge on PSF patterns and the related mechanisms mainly stems from laboratory experiments. We aimed at addressing PSF effects on community performance and their determinants using an invasive forb Solidago canadensis. To do so, we surveyed 81 pairs of invaded versus uninvaded plots, collected soil samples from these pairwise plots, and performed an experiment with microcosm plant communities. The magnitudes of conditioning soil abiotic properties and soil biotic properties by S. canadensis were similar, but the direction was opposite; altered abiotic and biotic properties influenced the production of subsequent S. canadensis communities and its abundance similarly. These processes shaped neutral S. canadensis–soil feedback effects at the community level. Additionally, the relative dominance of S. canadensis increased with its ability of competitive suppression in the absence and presence of S. canadensis–soil feedbacks, and S. canadensis‐induced decreases in native plant species did not alter soil properties directly. These findings provide a basis for understanding PSF effects and the related mechanisms in the field conditions and also highlight the importance of considering PSFs holistically.     

A subset of chemosensory genes differs between two populations of a specialized leaf beetle after host plant shift

Due to its fundamental role in shaping host selection behavior, we have analyzed the chemosensory repertoire of Chrysomela lapponica. This specialized leaf beetle evolved distinct populations which shifted from the ancestral host plant, willow (Salix sp., Salicaceae), to birch (Betula rotundifolia, Betulaceae). We identified 114 chemosensory candidate genes in adult C. lapponica: 41 olfactory receptors (ORs), eight gustatory receptors, 17 ionotropic receptors, four sensory neuron membrane proteins, 32 odorant binding proteins (OBPs), and 12 chemosensory proteins (CSP) by RNA‐seq. Differential expression analyses in the antennae revealed significant upregulation of one minus‐C OBP (ClapOBP27) and one CSP (ClapCSP12) in the willow feeders. In contrast, one OR (ClapOR17), four minus‐C OBPs (ClapOBP02, 07, 13, 20), and one plus‐C OBP (ClapOBP32) were significantly upregulated in birch feeders. The differential expression pattern in the legs was more complex. To narrow down putative ligands acting as cues for host discrimination, the relative abundance and diversity of volatiles of the two host plant species were analyzed. In addition to salicylaldehyde (willow‐specific), both plant species differed mainly in their emission rate of terpenoids such as (E,E)‐α‐farnesene (high in willow) or 4,8‐dimethylnona‐1,3,7‐triene (high in birch). Qualitatively, the volatiles were similar between willow and birch leaves constituting an “olfactory bridge” for the beetles. Subsequent structural modeling of the three most differentially expressed OBPs and docking studies using 22 host volatiles indicated that ligands bind with varying affinity. We suggest that the evolution of particularly minus‐C OBPs and ORs in C. lapponica facilitated its host plant shift via chemosensation of the phytochemicals from birch as novel host plant.     

Gene-flow between niches facilitates local adaptation in sexual populations

In sexual populations, gene-flow between niches is predicted to have differential consequences on local adaptation contingent upon the nature of trade-offs underlying local adaptation. Sex retards local adaptation if antagonistic pleiotropy underlies trade-offs, but facilitates adaptation if mutation accumulation underlies trade-offs. We evaluate the effect of sex in heterogeneous environments by manipulating gene-flow between two niches in sexual and asexual populations using steady-state microcosm experiments with yeast. We find that only sex in the presence of gene-flow promotes simultaneous local adaptation to different niches, presumably as this exposes mutations neutrally accrued in alternate niches to selection. This finding aligns with work showing mutation accumulation underlies trade-offs to local adaptation in asexual microbes, and with inferences of divergence in the presence of gene-flow in natural sexual populations. This experiment shows that sex may be of benefit in heterogeneous environments, and thus helps explain why sex has been maintained more generally.     

Optimization of integrated alkaline–extrusion pretreatment of barley straw for sugar production by enzymatic hydrolysis

In this work, an integrated one-step alkaline–extrusion process was tested as pretreatment for sugar production from barley straw (BS) biomass. The influence of extrusion temperature (T) and the ratio NaOH/BS dry matter (w/w) (R) into the extruder on pretreatment effectiveness was investigated in a twin-screw extruder at bench scale. A 2³ factorial design of experiments was used to analyze the effect of process conditions [T: 50–100 °C; R: 2.5–7.5% (w/w)] on composition and enzymatic digestibility of pretreated substrate (extrudate). The optimum conditions for a maximum glucan to glucose conversion were determined to be R = 6% and T = 68 °C. At these conditions, glucan yield reached close to 90% of theoretical, while xylan conversion was 71% of theoretical. These values are 5 and 9 times higher than that of the untreated material, which supports the great potential of this one-step combined pre-treatment technology for sugar production from lignocellulosic substrates. The absence of sugar degradation products is a relevant advantage over other traditional methods for a biomass to ethanol production process since inhibitory effect of such product on sugar fermentation would be prevented.     

Prediction of habitat suitability,connectivity, and corridors in the future to conserve roe deer (Capreolus capreolus) as a locally endangered species in northern Iran

Roe deer is a protected species in Iran as its population and distribution in the country have considerably declined. Roe deer are threatened by several factors such as habitat fragmentation and road mortality, so studying their distribution and movement through the increasing habitat destruction and fragmentation is necessary. This will become increasingly important because climate change will transform the species’ future habitat and connectivity patterns. We evaluated the roe deer’s potential distribution range in northern Iran and, for the first time, developed connectivity models and designed corridors for the present and future to make better conservation plans. We collected 91 points indicating the presence of roe deer in the study region. After developing ensemble models using six species distribution algorithms, we defined high-ranked habitat cores using the concept of landscape suitability prioritization. From these, we designed connectivity and corridors in two time-frames with the help of least-cost paths and circuit theories to predict the potential movement throughout the study area. We estimated that the overall core habitats for roe deer in the present and future periods are, respectively, around 1200 km² and 2600 km², corresponding to 2 and 4 percent of the whole area. This suggests that the habitat core will expand in the future as a result of climate change. Similarly, the connectivity among the cores will strengthen. We also conclude that the temperature-driven and anthropogenic variables significantly affect the distribution of roe deer in northern Iran. It is necessary that conservationists and managers consider the designed corridors in the present study while planning conservation strategies.     

Basic concepts and principles of stoichiometric modeling of metabolic networks

Metabolic networks supply the energy and building blocks for cell growth and maintenance. Cells continuously rewire their metabolic networks in response to changes in environmental conditions to sustain fitness. Studies of the systemic properties of metabolic networks give insight into metabolic plasticity and robustness, and the ability of organisms to cope with different environments. Constraint-based stoichiometric modeling of metabolic networks has become an indispensable tool for such studies. Herein, we review the basic theoretical underpinnings of constraint-based stoichiometric modeling of metabolic networks. Basic concepts, such as stoichiometry, chemical moiety conservation, flux modes, flux balance analysis, and flux solution spaces, are explained with simple, illustrative examples. We emphasize the mathematical definitions and their network topological interpretations.     

Structural characterization of a flavonoid glycosyltransferase from Withania somnifera

Medicinal plants are extensively utilized in traditional and herbal medicines, both in India and around the world due to the presence of diverse low molecular weight natural products such as flavonoids, alkaloids, terpenoids and sterols. Flavonoids which have health benefits for humans are the large class of phenylpropanoid-derived secondary metabolites and are mostly glycosylated by UDP-glycosyltransferases (UGTs). Although large numbers of different UGTs are known from higher plants, very few protein structures have been reported till now. In the present study, the three-dimensional model of flavonoid specific glycosyltransferases (WsFGT) from Withania somnifera was constructed based on the crystal structure of plant UGTs. The resulted model was assessed by various tools and the final refined model revealed GT-B type fold. Further, to understand the sugar donors and acceptors interactions with the active site of WsFGT, docking studies were performed. The amino acids from conserved PSPG box were interacted with sugar donor while His18, Asp110, Trp352 and Asn353 were important for catalytic function. This structural and docking information will be useful to understand the glycosylation mechanism of flavonoid glucosides.

Abbreviations

DOPE - Discrete Optimized Potential Energy, PDB - Protein Data Bank, PSPG - Plant Secondary Product Glycosyltransferase, RMSD - Root Mean Squared Deviation, UDP - Uridine diphosphate, UGT - UDP-glycosyltransferases.