Molecular Shape Recognition through Self-Assembled Molecular Ordering: Evaluation with Determining Architecture and Dynamics

The relationship between molecular gel-forming compound-based double-alkylated l-glutamide-derived functional group-integrated organic phase (Sil-FIP) structure and chromatographic performance is investigated and compared with widely used alkyl phases (C(30), polymeric and monomeric C(18)) as references. The functional group-integrated molecular gel on silica is chemically designed newly in a way that the weak interaction sites are integrated with high orientation and high selectivity can be realized by multiple interactions with the solutes. Its functions can be emphasized by being immobilizable with a terminal carboxyl group and the fact that five amide bonds including β-alanine subunit are integrated per molecule. Furthermore, its self-assembling function can be detected by monitoring of the chiroptical property. Temperature-dependent circular dichroism (CD) intensity was determined as an indicator of chirality for the gel forming compounds. (13)C cross-polarization magic angle spinning (CP/MAS) NMR spectra of the Sil-FIP phase indicate that predominance of gauche conformations exists at higher temperature (above 30 °C). (29)Si CP/MAS NMR were carried out to investigate the degree of cross-linking of the silane and silane functionality of the modified silica. Temperature-dependent (13)C CP/MAS NMR and suspended-state (1)H NMR measurements of the Sil-FIP phase exhibit the dynamic behavior of the alkyl chains. To correlate the NMR and CD results with temperature-dependent chromatographic studies, standard reference materials (SRM 869b and SRM 1647e), column selectivity test mixture for liquid chromatography was employed. Additional shape selectivity text mixtures were also used to clarify the mechanism of shape selectivity performance of Sil-FIP compared with commercially available columns. The evaluation with the spectroscopic and chromatographic analyses presents very important information on the surface morphology of the new organic phase and the molecular recognition process. Integrated and ordered functional groups were investigated to be the main driving force for very high molecular shape selectivity of the Sil-FIP phase.     

Superparamagnetic iron oxide nanoparticle attachment on array of micro test tubes and microbeakers formed on p-type silicon substrate for biosensor applications

A uniformly distributed array of micro test tubes and microbeakers is formed on a p-type silicon substrate with tunable cross-section and distance of separation by anodic etching of the silicon wafer in N, N-dimethylformamide and hydrofluoric acid, which essentially leads to the formation of macroporous silicon templates. A reasonable control over the dimensions of the structures could be achieved by tailoring the formation parameters, primarily the wafer resistivity. For a micro test tube, the cross-section (i.e., the pore size) as well as the distance of separation between two adjacent test tubes (i.e., inter-pore distance) is typically approximately 1 μm, whereas, for a microbeaker the pore size exceeds 1.5 μm and the inter-pore distance could be less than 100 nm. We successfully synthesized superparamagnetic iron oxide nanoparticles (SPIONs), with average particle size approximately 20 nm and attached them on the porous silicon chip surface as well as on the pore walls. Such SPION-coated arrays of micro test tubes and microbeakers are potential candidates for biosensors because of the biocompatibility of both silicon and SPIONs. As acquisition of data via microarray is an essential attribute of high throughput bio-sensing, the proposed nanostructured array may be a promising step in this direction.     

Low-temperature growth of well-aligned ZnO nanorods/nanowires on flexible graphite sheet and their photoluminescence properties

We have grown large-scale well-aligned ZnO nanorods/nanowires on commercial flexible graphite sheet (FGS) at low temperature via chemical vapor deposition method. The products were characterized by X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy. The effects of the growth temperature and oxygen flow rate on the morphology of ZnO nanostructures have been investigated. The growth mechanism of ZnO is found to be a self-catalytic vapor–solid process assisted by the immiscibility of ZnO with graphite. The as-grown ZnO/FGS products show strong green emission and their photoluminescence properties can be tuned by changing growth condition or annealing treatment.     

Solute-Solute Interactions in Jet Fuel by Ultralow Conductance Measurement

Solute-solute interactions in pure organic liquids are much easier to determine than solute-solute interactions in a complex organic mixture such as a middle distillate fuel. This paper presents a method for the determination of solute-solute interaction and infinite dilution diffusion coefficient of hydrogen bond donor-acceptor species using ultralow conductance measurement. A theoretical framework was developed to obtain both complexation equilibrium constant (K) and infinite dilution diffusion coefficient, D° from a single set of measurements. These equations were applied for the study in hexadecane, a model hydrocarbon, and in jet fuel. The D° for methanol in jet fuel, 1.38 × 10^-4 cm² s^-1, is indicative of hydrophobic environments for the polar solutes in hydrocarbons media. The conditional equilibrium constant, K', was found to be maximum for methanol in jet fuel, which indicates the presence of strong hydrogen bond acceptors in jet fuel. The present method is fairly general and applicable to polar and polarizable species in hydrocarbon media.     

Validity of the Latest Research Findings on Causes of Groundwater Arsenic Contamination in Bangladesh

Abstract

The groundwater arsenic contamination problem in Bangladesh is the worst in the world. Two hypotheses are prevailing as the cause (mobilization) of groundwater arsenic contamination in Bangladesh. One is called “pyrite oxidation” and the other is “oxy-hydroxide reduction.” According to the first hypothesis, groundwater arsenic contamination is human-made, which has a relationship with excessive groundwater withdrawal. On the other hand, according to the second one, the contamination is natural. The British Geological Survey (BGS) conducted an investigation to identify the cause of groundwater arsenic contamination in Bangladesh. Based on their findings, they rejected the pyrite oxidation hypothesis and accepted the oxy-hydroxide reduction hypothesis. However, several experts are opposing their research findings. Therefore, a case study is undertaken to examine the validity of the BGS findings. Although we obtained results which are similar to the BGS, the errors in the estimates of percent of wells contaminated, the key parameter of these analyse show that the present as well as BGS results are not dependable to make any conclusion about the cause of contamination. Moreover, the validity test shows that space-dependent relationships among different hydro-geological parameters for the heterogeneous aquifer system are not valid to represent time-dependent phenomena. Therefore, the conclusion made by the BGS is not valid. Still, there is a possibility that the pyrite oxidation hypothesis could be accepted. For a final conclusion we must observe these relationships in a time domain by generating reliable time-dependent field data.     

Variable Bulk Modulus Constitutive Model for Sand

A quasi-linear elastic constitutive model is proposed to describe the behavior of sand well below failure. It is based on isotropic compression tests and captures the increase in stiffness due to confinement—a unique property that makes sand stiffer under certain applied loads. The model traces the increase in stiffness by describing the instantaneous bulk modulus in terms of the effective mean stress and two constitutive parameters: the initial bulk modulus and the ultimate volumetric strain. The validity of the model is examined by checking how closely the proposed mathematical formulation represents high quality isotropic compression tests reported in the literature.     

Experimental and analytical analysis of pretensioned inverted T-beam with circular web openings

This paper presents the results of a research project aimed at providing standard circular web openings to the popular precast pretensioned inverted T-beam. The main advantage of these openings is that mechanical equipment can pass through the webs of inverted T-beams. Another advantage is a slight reduction in inverted T-beams weight that would improve the demand on the supporting frame both under gravity loading and seismic excitation. Opening size and placement and required materials strengths were investigated. Also, the effects of using straight tendons, rather than two-point depression and one-point depression, of the prestressing strands were investigated. In this paper the nonlinear analysis and design of simply supported pre-tensioned inverted T-beam with circular web openings are presented. Two design parameters are varied such as: opening location and numbers of openings. The results from a nonlinear finite element analysis are substantiated by test results from five pretensioned inverted T-beam with web opening and one solid beam. Good agreement is shown between the theoretical and the experimental results. The effect of openings on the behavior of such beams at different stages of loading is presented. The test results obtained from this investigation show that the performance of the specimens with web openings was almost identical to that of the specimen without web openings. A simple design method for estimating the cracking load for the different crack patterns is proposed. Based on these tests, design recommendations are made that will allow the addition of web openings to inverted T-beam with minimal additional calculation.     

Regeneration of spent activated carbon by wet air oxidation

The regeneration of activated carbon was studied using the wet air oxidation process in the temperature range of 150–240°C and oxygen partial pressure range of 0.2 to 1.0 MPa. Phenol was used as substrate. The overall mechanism of regeneration has been analysed and the different steps taking place during the regeneration process were individually investigated. Kinetics of oxidation of phenol and oxygen mass transfer coefficients have been estimated in the ranges of temperature and pressure studied. Oxidative degeneration characteristics of activated carbon were also studied. The conditions of temperature and pressure have been found at which the extent of regeneration is favourable.     

Designing Weather Forecasting Model Using Computational Intelligence Tools

Climate changes on Iraq characterized by increasing droughts and desertification cause many environmental problems especially in the last decade. In this study, a model was designed to forecast selected weather variables in Nineveh province which is located in northwestern of Iraq based on artificial neural networks consisting radial basis function, Fuzzy C-Means, and Nonlinear Autoregressive Network with Exogenous inputs. The performance accuracy of this developed model gives very close predicted results with very small statistic errors for predicted period years from 2015 till the year 2050 then the model begins to collapse and its results are irrational. An interface window was designed to be an easy facility to work on this model without any difficulty or complexity. This model is a very useful tool for decision-makers for developing future plans to address the rapid climate changes in the study area.