Photon and vibration synergism on planar defects induced 2D-graphitic carbon nitride for ultrafast remediation of dyes and antibiotic ampicillin

Journal of Materials Science - Hybrid oxidation methodologies (HOMs) and active site enrichment of 2D nanocatalyst through defects induction are ubiquitously used for generating adequate reactive...     

Binding free energy calculations of galectin-3-ligand interactions

Galectins show remarkable binding specificity towards ß-galactosides.A recently developed method for calculating binding free energiesbetween a protein and its substrates has been used to evaluatethe binding specificity of galectin-3. Five disaccharides anda tetrasaccharide were used as the substrates. The calculatedbinding free energies agree quite well with the experimentaldata and the ranking of binding affinities is well reproduced.For all the six protein–ligand complexes it was observedthat electrostatic interactions oppose binding whereas the non-polarcontributions drive complex formation. The observed bindingspecificity of galectin-3 for galactosides rather than glucosidesis discussed in light of our results.     

Applying the critical path method to manufacturing routing

Traditionally the critical path method (CPM) has been used primarily as an a'priori planning and scheduling device. Its applications have typically been limited to one-shot projects, usually with a long period of completion time. This paper proposes taking these ideas to continuous production systems, and to implement the CPM not just at the outset but throughout the process. The algorithm calls for repeatedly calculating the critical path through the production process and routing parts so as to remain off this path. Before the model is presented, some basic ideas are introduced from group technology (GT) and CPM. After the presentation of the model, two potential implementations with the usage of computer are proposed.     

Learning spreadsheets: human instruction vs. computer-based instruction

The increasing need to instruct students in the use of personal computer software, especially electronic spreadsheets, is placing greater demands on the already full university curriculum. A potential help in meeting these demands is the readily available computer-based software tutorials. In order to explore the feasibility of computer-based instruction as an alternative to human instruction, this research compares two modes of instruction, computer-based and human. An experiment was conducted with groups of business student subjects. The research results indicate no difference in students' attitude towards computer-based instruction and human instruction of spreadsheets. Students' short-term recall of the software syntax being taught is as strong with computer-based instruction as with human instruction. These results were not affected by the level of personal computer experience that students had prior to the experiment. However, the ability to comprehend and immediately apply the software to a task is greater with human instruction than with computer-aided instruction. This advantage holds true for students instructed by experienced and inexperienced instructors.     

Anionic Clays as Potential Slow-Release Fertilizers: Nitrate Ion Exchange

Several nitrate containing anionic clays were synthesized at different temperatures and the kinetics of NO₃ ^– release were determined to test their suitability as slow-release N fertilizers. A sample (Mg:Al = 2:1) synthesized at 60°C with smaller particle size released 75, 86 and 100% of its NO₃ ^– in 1, 3 and 7 days, respectively when equilibrated with a simulated soil solution. On the other hand, the 175°C/2 hrs sample with larger particle size released 65, 77 and 84% of its nitrate in 1, 3 and 7 days, respectively. Another anionic clay (synthesized at 175°C/24 hrs) of higher charge density (Mg:Al = 2:1) containing NO₃ ^– was equilibrated with a 0.012 N NaCl or Na₂CO₃ to test the role of different anions in releasing the NO₃ ^– anion from the interlayers. The results showed that Cl^– released more NO₃ ^– than did CO₃ ^2– from this anionic clay after all the treatment times probably as a result of the CO₃ ^2– anion blocking the release of NO₃ ^– from the interior of the crystals. When a lower charge density (Mg:Al = 3:1) sample (synthesized at 175°C/48 hrs) was equilibrated with 0.02N solution of anions the release of nitrate was as follows: Cl^– < F^– < SO₄ ⁼ CO₃ ^2–. These results suggest that the divalent SO₄ ⁼ and CO₃ ^2– anions are more effective in the release of NO₃ ^– from this lower charge density anionic clay. Time-resolved structural analysis of NO₃ ^– exchange with CO₃ ^2– in the above anionic clay using synchrotron x-ray diffraction showed that ion exchange is rapid because of small crystal size and lower charge density. Thus the release of NO₃ ^– from anionic clays is an interplay among the type of anions present in soil solution, their concentration, pH of soil solution, the charge density and crystal size of anionic clay etc.     

Realization of a quantum gate using gravitational search algorithm by perturbing three-dimensional harmonic oscillator with an electromagnetic field

The aim of this paper is to design a current source obtained as a representation of p information symbols \(\{I_k\}\) so that the electromagnetic (EM) field generated interacts with a quantum atomic system producing after a fixed duration T a unitary gate U(T) that is as close as possible to a given unitary gate \(U_g\). The design procedure involves calculating the EM field produced by \(\{I_k\}\) and hence the perturbing Hamiltonian produced by \(\{I_k\}\) finally resulting in the evolution operator produced by \(\{I_k\}\) up to cubic order based on the Dyson series expansion. The gate error energy is thus obtained as a cubic polynomial in \(\{I_k\}\) which is minimized using gravitational search algorithm. The signal to noise ratio (SNR) in the designed gate is higher as compared to that using quadratic Dyson series expansion. The SNR is calculated as the ratio of the Frobenius norm square of the desired gate to that of the desired gate error.     

Morphology,Mineralogy and Mixing of Individual Atmospheric Particles Over Kanpur (IGP): Relevance of Homogeneous Equivalent Sphere Approximation in Radiative Models

Estimation of the direct radiative forcing (DRF) by atmospheric particles is uncertain to a large extent owing to uncertainties in their morphology (shape and size), mixing states, and chemical composition. A region-specific database of the aforementioned physico-chemical properties (at individual particle level) is necessary to improve numerically-estimated optical and radiative properties. Till date, there is no detailed observation of the above mentioned properties over Kanpur in the Indo-Gangetic Plain (IGP). To fill this gap, an experiment was carried out at Kanpur (IITK; 26.52°N, 80.23°E, 142 m msl), India from April to July, 2011. Particle types broadly classified as (a) Cu-rich particles mixed with carbon and sulphur (b) dust and clays mixed with carbonaceous species (c) Fe-rich particles mixed with carbon and sulfur and (d) calcite (CaCO₃) particles aged with nitrate, were observed. The frequency distributions of aspect ratio (AR; indicator of extent of particle non-sphericity) of total 708 particles from April to June reveal that particles with aspect ratio range >1.2 to ≤1.4 were abundant throughout the experiment except during June when it was found to shift to high AR range, >1.4 to ≤1.6 (followed with another peak of AR i.e. >2 to ≤2.4) due to dust storm conditions enhancing the occurrence of more non-spherical particles over the sampling site. The spherical particles (and close to spherical shape; AR range, 1.0 to ≤1.2) were found to be <20% throughout the experiment with a minimum (11.5%) during June. Consideration of Homogeneous Equivalent Sphere Approximation (HESA) in the optical/radiative model over the study region is found to be irrelevant during the campaign.