Blends of Bio-Based Poly(Limonene Carbonate) with Commodity Polymers

In this study, blends of the bio-based poly(limonene carbonate) (PLimC) with different commodity polymers are investigated in order to explore the potential of PLimC toward generating more sustainable polymer materials by reducing the amount of petro- or food-based polymers. PLimC is employed as minority component in the blends. Next to the morphology and thermal properties of the blends the impact of PLimC on the mechanical properties of the matrix polymers is studied. The interplay of incompatibility and zero-shear melt viscosity contrast determines the blend morphology, leading for all blends to a dispersed droplet morphology for PLimC. Blends with polymers of similar structure to PLimC (i.e., aliphatic/aromatic polyester) show the best performance with respect to mechanical properties, whereas blends with polystyrene or poly(methyl methacrylate) are too brittle and polyamide 12 blends show very low elongations at break. In blends with Ecoflex (poly(butylene adipate-co-terephthalate)) and Arnitel EM400 (copoly(ether ester)) with poly(butylene terephthalate) hard and polytetrahydrofuran soft segments) a threefold increase in E-modulus can be achieved, while keeping the elongation at break at reasonable high values of ≈200%, making these blends highly interesting for applications.     

Optimized Biocatalytic Synthesis of 2-Selenopyrimidine Nucleosides by Transglycosylation**

Selenium-modified nucleosides are powerful tools to study the structure and function of nucleic acids and their protein interactions. The widespread application of 2-selenopyrimidine nucleosides is currently limited by low yields in established synthetic routes. Herein, we describe the optimization of the synthesis of 2-Se-uridine and 2-Se-thymidine derivatives by thermostable nucleoside phosphorylases in transglycosylation reactions using natural uridine or thymidine as sugar donors. Reactions were performed at 60 or 80 °C and at pH 9 under hypoxic conditions to improve the solubility and stability of the 2-Se-nucleobases in aqueous media. To optimize the conversion, the reaction equilibria in analytical transglycosylation reactions were studied. The equilibrium constants of phosphorolysis of the 2-Se-pyrimidines were between 5 and 10, and therefore differ by an order of magnitude from the equilibrium constants of any other known case. Hence, the thermodynamic properties of the target nucleosides are inherently unfavorable, and this complicates their synthesis significantly. A tenfold excess of sugar donor was needed to achieve 40−48 % conversion to the target nucleoside. Scale-up of the optimized conditions provided four Se-containing nucleosides in 6–40 % isolated yield, which compares favorably to established chemical routes.     

Multi-objective particle swarm optimisation based integrated production inventory routing planning for efficient perishable food logistics operations

Sustainable and efficient food supply chain has become an essential component of one’s life. The model proposed in this paper is deeply linked to people's quality of life as a result of which there is a large incentive to fulfil customer demands through it. This proposed model can enhance food quality by making the best possible food quality accessible to customers, construct a sustainable logistics system considering its environmental impact and ensure the customer demand to be fulfilled as fast as possible. In this paper, an extended model is examined that builds a unified planning problem for efficient food logistics operations where four important objectives are viewed: minimising the total expense of the system, maximising the average food quality along with the minimisation of the amount of CO₂ emissions in transportation along with production and total weighted delivery lead time minimisation. A four objective mixed integer linear programming model for intelligent food logistics system is developed in the paper. The optimisation of the formulated mathematical model is proposed using a modified multi-objective particle swarm optimisation algorithm with multiple social structures: MO-GLNPSO (Multi-Objective Global Local Near-Neighbour Particle Swarm Optimisation). Computational results of a case study on a given dataset as well as on multiple small, medium and large-scale datasets followed by sensitivity analysis show the potency and effectiveness of the introduced method. Lastly, there has been a scope for future study displayed which would lead to the further progress of these types of models.     

Deliberately Losing Control of C−H Activation Processes in the Design of Small-Molecule-Fragment Arrays Targeting Peroxisomal Metabolism

Combined photochemical arylation, “nuisance effect” (S_NAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with S_NAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified.     

Makespan minimization with OR-precedence constraints

We consider a variant of the NP-hard problem of assigning jobs to machines to minimize the completion time of the last job. Usually, precedence constraints are given by a partial order on the set of jobs, and each job requires all its predecessors to be completed before it can start. In this paper, we consider a different type of precedence relation that has not been discussed as extensively and is called OR-precedence. In order for a job to start, we require that at least one of its predecessors is completed—in contrast to all its predecessors. Additionally, we assume that each job has a release date before which it must not start. We prove that a simple List Scheduling algorithm due to Graham (Bell Syst Tech J 45(9):1563–1581, 1966) has an approximation guarantee of 2 and show that obtaining an approximation factor of \(4/3 - \varepsilon \) is NP-hard. Further, we present a polynomial-time algorithm that solves the problem to optimality if preemptions are allowed. The latter result is in contrast to classical precedence constraints where the preemptive variant is already NP-hard. Our algorithm generalizes previous results for unit processing time jobs subject to OR-precedence constraints, but without release dates. The running time of our algorithm is \(O(n^2)\) for arbitrary processing times and it can be reduced to O(n) for unit processing times, where n is the number of jobs. The performance guarantees presented here match the best-known ones for special cases where classical precedence constraints and OR-precedence constraints coincide.

     

Proton-Detected Solid-State NMR of the Cell-Free Synthesized α-Helical Transmembrane Protein NS4B from Hepatitis C Virus

Proton-detected 100 kHz magic-angle-spinning (MAS) solid-state NMR is an emerging analysis method for proteins with only hundreds of microgram quantities, and thus allows structural investigation of eukaryotic membrane proteins. This is the case for the cell-free synthesized hepatitis C virus (HCV) nonstructural membrane protein 4B (NS4B). We demonstrate NS4B sample optimization using fast reconstitution schemes that enable lipid-environment screening directly by NMR. 2D spectra and relaxation properties guide the choice of the best sample preparation to record 2D ¹H-detected ¹H,¹⁵N and 3D ¹H,¹³C,¹⁵N correlation experiments with linewidths and sensitivity suitable to initiate sequential assignments. Amino-acid-selectively labeled NS4B can be readily obtained using cell-free synthesis, opening the door to combinatorial labeling approaches which should enable structural studies.     

Design of 5.9 ghz dsrc-based vehicular safety communication

The automotive industry is moving aggressively in the direction of advanced active safety. Dedicated short-range communication (DSRC) is a key enabling technology for the next generation of communication-based safety applications. One aspect of vehicular safety communication is the routine broadcast of messages among all equipped vehicles. Therefore, channel congestion control and broadcast performance improvement are of particular concern and need to be addressed in the overall protocol design. Furthermore, the explicit multichannel nature of DSRC necessitates a concurrent multichannel operational scheme for safety and non-safety applications. This article provides an overview of DSRC based vehicular safety communications and proposes a coherent set of protocols to address these requirements     

Pegylated peptides. V. Carboxy-terminal PEGylated analogs of growth hormone-releasing factor (GRF) display enhanced duration of biological activity in vivo

In the present study, human growth hormone-releasing factor (hGRF) and analogs were successfully pegylated at the carboxy-terminus using a novel solid- and solution-phase strategy. Following synthesis, these pegylated hGRF analogs were evaluated for in vitro and in vivo biological activity. Specifically, hGRF (1-29)-NH2, [Ala15]-hGRF (1-29)-NH2, [desNH2Tyr1, D-Ala2, Ala15]-hGRF(1-29)-NH2 and [His1, Val2, Gln8, Ala15, Leu27]-hGRF(1-32)-OH were each C-terminally extended using a Gly-Gly-Cys-NH2 spacer (previously demonstrated not to alter intrinsic biological activity), and then monopegylated via coupling to an activated dithiopyridyl-PEG reagent. PEG moieties of 750, 2000, 5000 or 10,000 molecular weight (MW) were examined to determine the effect of polymer weight on activity. Initial biological evaluations in vitro revealed that all C-terminally pegylated hGRF analogs retained high growth hormone (GH)-releasing potencies, regardless of the MW of PEG polymer employed. Two of these pegylated hGRF analogs, [desNH2Tyr1, D-Ala2, Ala15]-hGRF (1-29)-Gly-Gly-Cys(NH2)-S-Nle-PEG5000 and [His1, Val2, Gln8, Ala15, Leu27]-hGRF(1-32)-Gly-Cys(NH2)-S-Nle-PEG5000, were subsequently evaluated in both pig and mouse models and found to be highly potent (in vivo potency range = 12-55-fold that of native hGRF). Relative to their non-pegylated counterparts, these two pegylated hGRF analogs exhibited enhanced duration of activity.     

Congratulations to Vladimir Viktorovich Baulin

Soil Mechanics and Foundation Engineering -