Structural aggregates of rod-coil copolymer solutions

The optoelectronic properties of rod-coil diblock copolymers with π-conjugation are greatly affected by molecular packing, which is closely related to their micellar morphology. Self-assembly of rod-coil block copolymer B(y)A(x) in a selective solvent for its coil block is studied by using dissipative particle dynamics, where B(y)A(x) denotes the polymer comprising of y rodlike B beads and x coil-like A beads. The influences of polymer concentration, component compatibility, solvent quality for coil block, rod-block length, and π-π interaction on the resulting aggregate conformations are examined. It was found that distinctly different from coil-coil copolymers, the aggregates of rod-coil copolymers exhibit morphological and structural diversity induced by the intrinsically rigid nature of the rod blocks. In general, the aggregate adopts the overall shape of sphere, cylinder, perforated sheet, or network. The morphology of the rod-block domain within aggregate is even richer and the interesting structures such as porous sphere, spherical spiral, helical bundles, discrete chunks, and nematic cylinder are observed. The short-range order parameter indicates that as rod length is long enough, neighboring rods begin to orient parallel to one another and nematic domains appear. Moreover, in the presence of π-π interactions, the neighboring rods within the B domains become more coherently oriented and smectic domains can thus be formed.     

Fine-tuning the Electronic Structure of Organic Dyes for Dye-Sensitized Solar Cells

A series of metal-free organic dyes exploiting different combinations of (hetero)cyclic linkers (benzene, thiophene, and thiazole) and bridges (4H-cyclopenta[2,1-b:3,4-b']dithiophene (CPDT) and benzodithiophene (BDT)) as the central π-spacers were synthesized and characterized. Among them, the sensitizer containing the thiophene and CPDT showed the most broad incident photon-to-current conversion efficiency spectra, resulting in a solar energy conversion efficiency (η) of 6.6%.     

Linear response equilibrium

A new periodic pulse sequence employing weak excitation is presented. This type of sequence drives the system into a steady-state with periodic time evolution from which the data can be reconstructed to a spectrum. It is demonstrated that the frequency response of such a sequence can be analyzed using perturbation methods and linear system analysis. A mathematical framework is proposed allowing the frequency response to be tailored by weighting a periodic flip function. The weak excitation level used implies very low specific absorption rates while generating a highly frequency selective signal in the order of 1/T2 with signal strengths comparable to those obtainable with conventional large flip angle balanced steady-state free precession techniques. The concept is illustrated with phantom experiments and in vivo feasibility of water fat separation is shown on human knee images.     

Perception of native and non-native affricate-fricative contrasts: cross-language tests on adults and infants

Previous studies have shown improved sensitivity to native-language contrasts and reduced sensitivity to non-native phonetic contrasts when comparing 6-8 and 10-12-month-old infants. This developmental pattern is interpreted as reflecting the onset of language-specific processing around the first birthday. However, generalization of this finding is limited by the fact that studies have yielded inconsistent results and that insufficient numbers of phonetic contrasts have been tested developmentally; this is especially true for native-language phonetic contrasts. Three experiments assessed the effects of language experience on affricate-fricative contrasts in a cross-language study of English and Mandarin adults and infants. Experiment 1 showed that English-speaking adults score lower than Mandarin-speaking adults on Mandarin alveolo-palatal affricate-fricative discrimination. Experiment 2 examined developmental change in the discrimination of this contrast in English- and Mandarin-leaning infants between 6 and 12 months of age. The results demonstrated that native-language performance significantly improved with age while performance on the non-native contrast decreased. Experiment 3 replicated the perceptual improvement for a native contrast: 6-8 and 10-12-month-old English-learning infants showed a performance increase at the older age. The results add to our knowledge of the developmental patterns of native and non-native phonetic perception.     

Bioassay-guided purification and identification of antimicrobial components in Chinese green tea extract

The Chinese green tea extract was found to strongly inhibit the growth of major food-borne pathogens, Escherichia coli O157:H7, Salmonella Typhimurium DT104, Listeria monocytogenes, Staphylococcus aureus, and a diarrhoea food-poisoning pathogen Bacillus cereus, by 44-100% with the highest activity found against S. aureus and lowest against E. coli O157:H7. A bioassay-guided fractionation technique was used for identifying the principal active component. A simple and efficient reversed-phase high-speed counter-current chromatography (HSCCC) method was developed for the separation and purification of four bioactive polyphenol compounds, epicatechin gallate (ECG), epigallocatechin gallate (EGCG), epicatechin (EC), and caffeine (CN). The structures of these polyphenols were confirmed with mass spectrometry. Among the four compounds, ECG and EGCG were the most active, particularly EGCG against S. aureus. EGCG had the lowest MIC90 values against S. aureus (MSSA) (58 mg/L) and its methicilin-resistant S. aureus (MRSA) (37 mg/L). Scanning electron microscopy (SEM) studies showed that these two compounds altered bacterial cell morphology, which might have resulted from disturbed cell division. This study demonstrated a direct link between the antimicrobial activity of tea and its specific polyphenolic compositions. The activity of tea polyphenols, particularly EGCG on antibiotics-resistant strains of S. aureus, suggests that these compounds are potential natural alternatives for the control of bovine mastitis and food poisoning caused by S. aureus.     

Pharmacophore Mode lingand Virtual Screening to Design the Potential Influenza Virus Endonuclease Inhibitors

Influenza virus endonuclease is an attractive target for antiviral therapy in the treatment of influenza infection. The purpos e of this study is to design a novel antiviral agent with improved biological activities against the influenza virus endonuclease. In this study, chemical feature‐based 3D pharmacophore models were developed from 41 known influenza virus endonuclease inhibitors. The best quantitative pharmacohore model (Hypo 1), which consists of two hydrogen‐bond acceptors and two hydrophobic features, yields the highest correlation coefficient (R = 0.886). Hypo 1 was further validated by the cross validation method and the test set compounds. The application of this model for predicting the activities of 11 known influenza virus endonuclease inhibitors in the test set shows great success. The correlation coefficient of 0.942 and a cross validation of 95;% confidence level prove that this model is reliable in identifying structurally diverse compounds for influenza virus endonuclease inhibition. The most active compound (compound 1) from the training set was docked into the active site of the influenza virus endonuclease as an additional verification that the pharmacophore model is accurate. The docked conformation showed important hydrogen bond interactions between the compound and two amino acids, Lys 134 and Lys 137. After validation, this model was used to screen the NCI chemical database to identify new influenza virus endonuclease inhibitors. Our study shows that the to pranking compound out of the 10 newly identified compounds using fit value ranking has an estimated activity of 0.049 μM. These newly identified lead compounds can be further experimentally validated using in vitro techniques.     

Nanostructured silicon surface modifications for as a selective matrix-free laser desorption/ionization mass spectrometry

Matrix-assisted laser desorption/ionization mass spectrometry is an established soft ionization method that is widely applied to analyze biomolecules. The UV-absorbing organic matrix is essential for biomolecule ionization; however, it also creates matrix background interference, which results in problematic analyses of biomolecules of less than 700 Da. Therefore, this study investigates hydrophilic, hydrophobic cationic, anionic and immobilized metal ion surface chemical modifications to advance nanostructured silicon mass spectrometry performance (nSi-MS). This investigation provides information required for a possible novel mass spectroscopy that combines surface-enhanced and nanostructured silicon surface-assisted laser desorption/ionization mass spectrometry for the selective detection of specific compounds of a mixture.     

Parameters of the six-quark model

The restrictions imposed on the parameters of the six-quark model by the neutral kaon system are discussed with QCD effects included in the leading logarithmic approximation. The dependence on the six-quark model parameters of the sign and magnitude of the CP violation parameter ε′, the b-quark lifetime and the ratio of decay widths $\text{Γ(b → uX)}\text{Γ(b → cX)}$ are also discussed.     

Classification of monosubstituted phenyl rings by branching tree methods using infrared and raman peak heights

A branching tree scheme is proposed and evaluated for classifying monosubstituted benzenes by the structure of the part of a substituent which lies near the phenyl ring. A large group having the same atom attached to the phenyl ring is divided into subgroups having a more highly defined structure. Each subgroup is then further divided into still smaller subgroups having still more highly defined structures. Combined sets of infrared and Raman peak heights for bands characteristic of the phenyl ring vibrations are used as pattern vectors. A statistical linear discriminant method is used to correlate the peak heights of groups having similar near-the-ring structure. The stepwise and overall success rates are given for each level of classification.     

A microcalorimetric study of complex formation between alkaline sodium tartrate and iron(III)

The structure of the cellulose solvent ferric sodium tartrate (FeTNa) was studied using a sensitive adiabatic calorimeter. FeTNa was found to be a typical transition metal complex in which three tartrate ligands add in a stepwise fashion to iron. The structure of FeTNa first proposed by Franke is thus confirmed. The equilibrium constant for the addition of the third tartrate ligand to iron is approximately 100, a value typical of those for other cellulose-dissolving metal complexes. There is no calorimetric evidence for addition of more than three tartrate molecules to iron. The increase in molar heats of reaction with increasing ionic strength is consistent with dilute electrolyte solution theory. Based on these data, the probable reaction between FeTNa and cellulose has been postulated.