Photooxidized products of recombinant alpha A-crystallin and W9F mutant

Human lenses contain many photosensitizers that absorb light at wavelengths above 300 nm, most notably UVA light (320-400 nm). Kynurenine (Kyn) and 3-hydroxykynurenine (HK), two of the best-known photosensitizers in the human lens, may play a significant role in photooxidation-related changes in lens proteins, such as conformational change and aggregation. In vitro irradiation experiments with proteins indicate that the Trp residue (with maximal absorption at 295 nm) is more susceptible to photooxidation by UVB light (280-320 nm) than by UVA light, but most UVB light below 300 nm is screened by the cornea and little reaches the lens, especially the nuclear region where nuclear color develops. Therefore, if photooxidation is an important contributor to nuclear color or nuclear cataract, it must arise from a photosensitized reaction. In the present study, we use recombinant alpha A- and its Trp-deficient mutant W9F as models to study the effects of UVA irradiation in the presence of HK or Kyn and of UVB (300 nm) irradiation on alpha-crystallins. alpha A-crystallin showed a large decrease in Trp fluorescence and a large increase in non-Trp (blue) fluorescence after the HK-sensitized or 300 nm photooxidation. For the W9F mutant, a smaller decrease in protein fluorescence (lambda ex at 280 nm) and a smaller increase in blue fluorescence than for the wild-type alpha A-crystallin were observed. A decrease in the near-UV CD was also observed for both photooxidized alpha A and the W9F mutant. The effect of Kyn sensitization is smaller than that of HK sensitization. A study of chaperone-like activity indicated that only 300 nm photooxidized alpha A and the W9F mutant increased the ability to protect insulin from dithiothreitol-induced aggregation. Thus, sensitized photooxidation can occur in amino acids other than Trp by UVA in the presence of HK or Kyn with effects similar to, albeit smaller than, those of direct UVB (300 nm) photooxidation.     

Fluid-elastic instability in tube arrays subjected to air-water and steam-water cross-flow

Flow induced vibrations in heat exchanger tubes have led to numerous accidents and economic losses in the past. Efforts have been made to systematically study the cause of these vibrations and develop remedial design criteria for their avoidance. In this research, experiments were systematically carried out with air-water and steam-water cross-flow over horizontal tubes. A normal square tube array of pitch-to-diameter ratio of 1.4 was used in the experiments. The tubes were suspended from piano wires and strain gauges were used to measure the vibrations. Tubes made of aluminum; stainless steel and brass were systematically tested by maintaining approximately the same stiffness in the tube-wire systems. Instability was clearly seen in single phase and two-phase flow and the critical flow velocity was found to be proportional to tube mass. The present study shows that fully flexible arrays become unstable at a lower flow velocity when compared to a single flexible tube surrounded by rigid tubes. It is also found that tubes are more stable in steam-water flow as compared to air-water flow. Nucleate boiling on the tube surface is also found to have a stabilizing effect on fluid-elastic instability.     

Hydrodynamics of a bubble formed at vent pipe exit

In this paper, the hydrodynamics of a bubble formed during transient injection of air through a tube submerged in a pool of water has been studied. The experiments were performed by injecting air through vertical tubes varying in diameter from 0.9 to 9.5 cm and located in the middle of a 45 cm dia. and 120 cm high plexiglas chamber. The plexiglas chamber was partly filled with water and was open at the top to the outside. Data for bubble growth and vent line pressure histories are obtained under different upstream pressure conditions. Effect of presence of an orifice in the vent line on bubble growth has also been investigated.A theoretical model describing the bubble growth at the exit of a vent pipe submerged in a pool of water is developed. Predictions of bubble radius, line static pressure and uplift on the bottom of the test chamber have been made and are found to compare well with the data. Insertion of an orifice in the pipe line between the solenoid valve and the vent exit has been found to inhibit the bubble expansion as well as alter the bubble oscillation characteristics.     

Ratiometry of monomer/excimer emissions of dipyrenyl thiacalix[4]arene for Cu detection: a potential Cu and K switched INHIBIT logic gate with NOT and YES logic functions

A new thiacalix[4]arene derivative 2 of 1,3-alternate conformation possessing two pyrene groups has been synthesized and examined for its cation recognition abilities towards different cations such as lithium, sodium, potassium, nickel, zinc, cadmium, silver, mercury, lead and copper by fluorescence spectroscopy. In CH₃CN/CH₂Cl₂ (1:1), the presence of Cu(II) induces the formation of a 1:2 ligand/metal complex, which exhibits increasing monomer emission at 376 nm at the expense of the fluorescent excimer emission of 2 centered at 476 nm. In the presence of K⁺, the intensity of the excimer emission increases along with the formation of a new blue shifted band at 435 nm which corresponds to a static dimer. The compound behaves as a fluorescent molecular switch upon chemical input of Cu²⁺ and K⁺.     

Regulation of metal ion recognition by allosteric effects in thiacalix[4]crown based receptors

Three new ditopic receptors 3a-c based on thiacalix[4]arene of 1,3 alternate conformation possessing two different complexation sites have been designed and synthesized for both soft and hard metal ions. The imino nitrogens bind soft metal ion (Ag⁺/Pb²⁺/Cu²⁺) and the crown moiety binds K⁺ ion. The preliminary investigations show that 3a-c behave as ditopic receptors for Ag⁺/K⁺, Pb²⁺/K⁺, and Cu²⁺/K⁺ ions, respectively. In all the three receptors it was observed that the formation of 3a·Ag⁺/3b·Pb²⁺/3c·Cu²⁺ complex triggers the decomplexation of K⁺ ion from crown moiety and acts as a gateway, which regulates the binding of alkali metal to crown moiety. Thus, allosteric binding between metal ions ‘switch off’ the recognition ability of crown ether ring.     

Molecular dynamics simulation of the density and surface tension of water by particle-particle particle-mesh method

In this work, molecular dynamics simulation is performed to study the density and surface tension of water for a range of temperatures from 300 to 600 K. The extended simple point charge interaction potential for water is used. The particle-particle particle-mesh method, which automatically includes untruncated long-range terms, is used for the Lennard-Jones and the Coulombic terms. The results show that the long-range correction for the Lennard-Jones term is very important for the calculation of surface tension. It is found that the calculated density and surface tension of water fit well with experimental data for temperatures less than 500 K. Near the critical temperature, the simulation results are off from the experimental data.     

Correction to: Effect of varying biogas mass flow rate on performance and emission characteristics of a diesel engine fuelled with blends of n‑butanol and diesel

Journal of Thermal Analysis and Calorimetry - In the original publication of the article, Figs. 6 and 7 were published incorrectly without test fuel D80/nb20+BG (0.5 kg/h).     

Probing dynamic protein ensembles with atomic proximity measures

The emerging role of internal dynamics in protein fold and function requires new avenues of structure analysis. We analyzed the dynamically restrained conformational ensemble of ubiquitin generated from residual dipolar coupling data, in terms of protruding and buried atoms as well as interatomic distances, using four proximity-based algorithms, CX, DPX, PRIDE and PRIDE-NMR (http://hydra.icgeb.trieste.it/protein/). We found that Ubiquitin, this relatively rigid molecule has a highly diverse dynamic ensemble. The environment of protruding atoms is highly variable across conformers, on the other hand, only a part of buried atoms tends to fluctuate. The variability of the ensemble cautions against the use of single conformers when explaining functional phenomena. We also give a detailed evaluation of PRIDE-NMR on a wide dataset and discuss its usage in the light of the features of available NMR distance restraint sets in public databases.     

Enhancing management's understanding of operational research models

The problem of the gap between management's understanding of a model and the model builder's insight is a large one. This problem continues to challenge the practice of operational research and plague contemporary modelling efforts. This paper offers an approach to enhancing a manager's understanding of the model with respect to an application. It sets out a procedure whereby (a) the reasons for the management's judgements are uncovered, and (b) the sources of disagreement with the recommendations obtained from the model are identified. The manager, learning from the model, may then change his or her judgements. Alternatively, the model builder may modify the model parameters or assumptions, leading to convergent understanding. The procedure is based on the framework of social judgement theory. An illustrative example is offered in the context of facility planning in the cement manufacturing industry.