Effect of Bulky Functional Groups on Donor and Acceptor Interactions and their Photoluminescence Properties

Material designs that use donor and acceptor units are often found in organic optoelectronic devices. Molecular level insight into the interactions between donors and acceptors are crucial for understanding how such interactions can modify the optical properties of the organic optoelectronic materials. In this paper, tris(4-(tert-butyl)phenyl)amine (pTPA) was synthesized as a donor in order to compare with unmodified triphenylamine (TPA) in a donor–acceptor system by having 2,4,6-triphenyl-1,3,5-triazine (TRZ) as an acceptor. Dimerization of donors and acceptors occurred in solvent when the concentration of solute is high. At 0 K, using a polarizable continuum model, the nitrogen atom of TPA is found to stack on top of the center of triazine of TRZ, whereas such alignment is offset in pTPA and TRZ. We attributed such alignment in TPA-TRZ as the result of attractive interactions between partial localization of 2p_z electrons at the nitrogen atom of TPA and the π deficiency of triazine in TPA-TRZ. By taking into account random motions of the solvent effect at 300 K in quantum molecular dynamics and classical molecular dynamics simulations to interpret the marked difference in emission spectra between TPA-TRZ and pTPA-TRZ, it was revealed that the attractive interaction between pTPA and TRZ in toluene is weaker than TPA and TRZ. Because of the weaker attractive interaction between pTPA and TRZ in toluene, the dimers adopted numerous ground state conformations resulting in broad emission bands superimposed with multiple small Gaussian peaks. This is in contrast to TPA-TRZ which has only one dominant dimer conformation. This study demonstrates that the strength of intermolecular interactions between donors and acceptors should be taken into consideration in designing supramolecular structures.     

Index for vehicle acoustical comfort inside a passenger car

Sound quality is among the main factors that influence customers’ preference for choosing good automobile products. It all started more than 10 years ago and grows up so fast due to high competition in the automotive industries. A-weighted noise levels and sound power are usually utilised to measure the noise but they are not adequate to characterise the impact sound inside a car. The most popular approach to determine sound quality of a product is to define an annoyance or specific index, which involves both subjective and objective evaluations. Subjective and objective tests should be studied concurrently in order to determine the sound quality inside a passenger car. This approach is used in this paper to evaluate vehicle comfort index according to most frequently used sound quality metrics, namely; Zwicker loudness, sharpness, roughness and fluctuation strength. As a result researchers of different fields of automotive acoustics investigations can use this index according to the type of road (international road roughness) without any need to perform time-consuming jury tests. The metrics are correlated with jury test results that show which of them and how much has affected the acoustical comfort of the vehicle. The relation between road roughness and vehicle acoustical comfort index is another point of interest in this research.     

Strong coupling constants of light pseudoscalar mesons with heavy baryons in QCD

We calculate the strong coupling constants of light pseudoscalar mesons with heavy baryons within the light cone QCD sum rules method. It is shown that sextet–sextet, sextet–antitriplet and antitriplet–antitriplet transitions are described by one universal invariant function for each class. A comparison of our results on the coupling constants with the predictions existing in literature is also presented.     

Ultrasonic‐Assistance and Aging Time Effects on the Zeolitation Process of BZSM‐5 Zeolite

The isomorphic substitution of boron into ZSM‐5 zeolite under static hydrothermal condition was investigated. Evaluation of hydrothermal synthesis of BZSM‐5 was performed by treating the synthesis mixture by different aging processes, namely, ultrasonic, static, stirring, and microwave‐assisted aging prior to the conventional hydrothermal treatment. The synthetic processes with different techniques of aging prior to the onset of conventional hydrothermal crystallization were compared with a process without any prior aging. The obtained results showed that the ultrasonic and microwave assisted aging shortened the crystallization time and altered the crystal size and the morphology of the obtained products. The characteristics of the synthesized products were obtained by FT‐IR spectroscopic, XRD and SEM techniques.     

Laser-optical path to nuclear energy without radioactivity: Fusion of hydrogen–boron by nonlinear force driven plasma blocks

Anomalous interaction of terawatt-picosecond laser pulses allows side-on ignition of solid state density fusion fuel with the unexpected possibility of igniting uncompressed hydrogen–boron p-¹¹B. Suppression of relativistic self-focusing by using very clean laser pulses with an extremely high contrast ratio is essential to achieve ignition thresholds only ten times more difficult than fusion of deuterium–tritium (DT). This opens the possibility for laser driven fusion energy without neutrons and less radioactivity than from burning coal. The complex nonlinear optical properties involved are elaborated.     

A green and highly efficient alkylation of thiols in water

An environmentally benign and efficient process for the preparation of thioethers was developed by simple and practical reactions of alkyl halides and thiols in water in the presence of K₂CO₃ or Et₃N in very high yields. The reaction of aryl, alkyl, aliphatic and hindered thiols with various alkyl halides gave the corresponding products with significant advantages such as high conversions, short reaction time, mild reaction conditions, and low cost, simple workup with good to quantitative yields.     

Search for anomalous interaction mean free paths of charge, 2≦Z≦18 projectile fragments in emulsions exposed to 1.8 A GeV40Ar ions

⁴⁰Ar-emulsion interactions are studied, to investigate the question of anomalons, in twoG- 5 emulsion stacks. In about 4600 primary interactions, projectile fragments of Z≧2 for all generations have been followed until they interact or leave the stack. After careful estimation of charges of these fragments, variation of their mean free paths is studied as a function of distance from the preceding interaction. Generation effect,N _h dependence and production angle effect are investigated. In addition multi-chain events are analysed separately. Our results do not show anomalons at the 6% level and are consistent with non-occurrence of anomalons. However, this experiment is not sensitive enough to rule out anomalons (with a mfp of the order of 2 to 3 cm) produced at about 1% (or less) level.     

Prospecting Agro-waste Cocktail: Supplementation for Cellulase Production by a Newly Isolated Thermophilic <Emphasis Type="Italic">B. licheniformis</Emphasis> 2D55

Bacteria isolated from thermophilic environment that can produce cellulase as well as utilise agro-waste biomass have a high potential for developing thermostable cellulase required in the biofuel industry. The cost for cellulase represents a significant challenge in converting lignocellulose to fermentable sugars for biofuel production. Among three potential bacteria examined, Bacillus licheniformis 2D55 (accession no. KT799651) was found to produce the highest cellulolytic activity (CMCase 0.33 U/mL and FPase 0.09 U/mL) at 18–24 h fermentation when grown on microcrystalline cellulose (MCC) as a carbon source in shake flask at 50 °C. Cellulase production process was further conducted on the untreated and NaOH pretreated rice straw (RS), rice husk (RH), sugarcane bagasse (BAG) and empty fruit bunch (EFB). Untreated BAG produced the highest FPase (0.160 U/mL), while the highest CMCase (0.150 U/mL) was supported on the pretreated RH. The mixture of untreated BAG and pretreated RH as agro-waste cocktail has remarkably improved CMCase (3.7- and 1.4-fold) and FPase (2.5- and 11.5-fold) compared to the untreated BAG and pretreated RH, respectively. The mechanism of cellulase production explored through SEM analysis and the location of cellulase enzymes of the isolate was also presented. Agro-waste cocktail supplementation provides an alternative method for an efficient production of cellulase.     

An efficient correlation for calculating compressibility factor of natural gases

Compressibility factor (z-factor) values of natural gases are necessary in most petroleum engineering calculations. Necessity arises when there are few available experimental data for the required composition, pressure and temperature conditions. One of the most common methods of calculating z-factor values is empirical correlation. Firstly, a new correlation based on the famous Standing-Katz (S-K) Chart is presented to predict z-factor values. The advantage of this correlation is that it is explicit inzand thus does not require an iterative solution as is required by other methods. Secondly, the comparison between new one and other correlations is carried out and the results indicate the superiority of the new correlation over the other correlations used to calculate z-factor.