XPS and resistive studies on thin films of a copper(II)‐based coordination polymer deposited on functionalized interdigital electrodes

A symmetrical 2‐thiopyrimidine based molecule with an expanded π‐electron system is synthesized and used to form a self‐assembled monolayer (SAM) on gold surfaces. Utilizing chemical vapor deposition a monolayer of (3‐mercaptopropyl)triethoxysilane is formed on silicon dioxide substrates. Both of these SAM coated substrates are characterized by X‐ray photoelectron spectroscopy and the growth of a coordination polymer built up from 5,5′‐(ethyne‐1,2‐diyl)bis(2‐hydroxyacetophenone) and copper(II) on dual SAM coated transducers is studied. After the deposition procedure on interdigital electrodes the electrical properties of the polymer are investigated performing resistive measurements. A significant change of the resistance, which depends on the surrounding atmosphere, proves the sensing behavior of the synthesized coordination polymer. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 335–344     

Interplay of Hole Transfer and Host–Guest Interaction in a Molecular Dyad and Triad: Ensemble and Single‐Molecule Spectroscopy and Sensing Applications

A new molecular dyad consisting of a Cy5 chromophore and ferrocene (Fc) and a triad consisting of Cy5, Fc, and β‐cyclodextrin (CD) are synthesized and their photophysical properties investigated at both the ensemble and single‐molecule levels. Hole transfer efficiency from Cy5 to Fc in the dyad is reduced upon addition of CD. This is due to an increase in the Cy5‐Fc separation (r) when the Fc is encapsulated in the macrocyclic host. On the other hand, the triad adopts either a Fc‐CD inclusion complex conformation in which hole transfer quenching of the Cy5 by Fc is minimal or a quasi‐static conformation with short r and rapid charge transfer. Single‐molecule fluorescence measurements reveal that r is lengthened when the triad molecules are deposited on a glass substrate. By combining intramolecular charge transfer and competitive supramolecular interaction, the triad acts as an efficient chemical sensor to detect different bioactive analytes such as amantadine hydrochloride and sodium lithocholate in aqueous solution and synthetic urine.     

Logging damage and injured tree mortality in tropical forest management

Using insights from the forest ecology literature, we analyze the effect of injured trees on stand composition and carbon stored in above‐ground biomass and the implications for forest management decisions. Results from a Faustmann model with data for a tropical forest on Kalimantan show that up to 50% of the basal area of the stand before harvest can consist of injured trees. Considering injured trees leads to an increase in the amount of carbon in above‐ground biomass of up to 165%. These effects are larger under reduced impact logging than under conventional logging. The effects on land expectation value and cutting cycle are relatively small. The results suggest that considering injured trees in models for tropical forest management is important for the correct assessment of the potential of financial programs to store carbon and conserve forest ecosystem services in managed tropical forests, such as reducing emissions from deforestation and forest degradation and payment for ecosystem services. Recommendations for Resource Managers

• Considering the role of injured trees is important for managing tropical forests
• These trees can cover up to 50% of basal area and contain more than 50% of the carbon stored in above‐ground biomass
• Reduced impact logging leads to a larger basal area of injured trees and more carbon stored in injured trees than conventional logging
• Injured trees play an important role when assessing the potential for carbon storage in the context of payment for forest ecosystem services.

     

Distance-regular Cayley graphs with least eigenvalue $$$$

We classify the distance-regular Cayley graphs with least eigenvalue \(-2\) and diameter at most three. Besides sporadic examples, these comprise of the lattice graphs, certain triangular graphs, and line graphs of incidence graphs of certain projective planes. In addition, we classify the possible connection sets for the lattice graphs and obtain some results on the structure of distance-regular Cayley line graphs of incidence graphs of generalized polygons.     

Evidence for Multiple Binding Modes in the Initial Contact Between SARS-CoV-2 Spike S1 Protein and Cell Surface Glycans**

Infection of host cells by SARS-CoV-2 begins with recognition by the virus S (spike) protein of cell surface heparan sulfate (HS), tethering the virus to the extracellular matrix environment, and causing the subunit S1-RBD to undergo a conformational change into the ‘open’ conformation. These two events promote the binding of S1-RBD to the angiotensin converting enzyme 2 (ACE2) receptor, a preliminary step toward viral-cell membrane fusion. Combining ligand-based NMR spectroscopy with molecular dynamics, oligosaccharide analogues were used to explore the interactions between S1-RBD of SARS CoV-2 and HS, revealing several low-specificity binding modes and previously unidentified potential sites for the binding of extended HS polysaccharide chains. The evidence for multiple binding modes also suggest that highly specific inhibitors will not be optimal against protein S but, rather, diverse HS-based structures, characterized by high affinity and including multi-valent compounds, may be required.     

An efficient anti-aliasing spectral continuous window shifting technique for PIV

A new sub-pixel correlation peak locating algorithm for PIV analysis is introduced. The method is theoretically consistent with the method of continuously shifting interrogation sub-windows by fractional displacements, which has proven to be an effective way to reduce the bias error associated with integer pixel aliasing, or peak-locking. However the proposed algorithm performs continuous window shifting in the spatial frequency domain using the shift property of the Fourier transform, thus it is equivalent to interpolating the original digital image with the Fourier transform reconstruction. Synthetic and real PIV images are used to test the new algorithms performance relative to that of traditional (non-iterative) peak-finding methods and other peak-locking reduction algorithms, such as the continuous window shifting technique. The resultant bias error of the proposed algorithm is smaller (by an order of magnitude in some cases), and importantly, the periodic nature of the bias error, the characteristic signature of peak-locking, is eliminated as long as the discrete particle images have been sampled at a rate greater than the Nyquist sampling frequency. Moreover, this new algorithm is shown to be computationally efficient and it converges faster than the competing algorithms.     

Order acceptance and scheduling on two identical parallel machines

We study the order acceptance and scheduling problem on two identical parallel machines. At the beginning of the planning horizon, a firm receives a set of customer orders, each of which has a revenue value, processing time, due date, and tardiness weight. The firm needs to select orders to accept and schedule the accepted orders on two identical parallel machines so as to maximize the total profit. The problem is intractable, so we develop two heuristics and an exact algorithm based on some optimal properties and the Lagrangian relaxation technique. We evaluate the performance of the proposed solution methods via computational experiments. The computational results show that the heuristics are efficient and effective in approximately solving large-sized instances of the problem, while the exact algorithm can only solve small-sized instances.