Ramachandran analysis of conserved glycyl residues in homologous proteins of known structure

High conservation of glycyl residues in homologous proteins is fairly frequent. It is commonly understood that glycine tends to be highly conserved either because of its unique Ramachandran angles or to avoid steric clash that would arise with a larger side chain. Using a database of aligned 3D structures of homologous proteins we identified conserved Gly in 288 alignment positions from 85 families. Ninety-six of these alignment positions correspond to conserved Gly residue with (phi, ) values allowed for non-glycyl residues. Reasons for this observation were investigated by in-silico mutation of these glycyl residues to Ala. We found in 94% of the cases a short contact exists between the C atom of the introduced Ala with the atoms which are often distant in the primary structure. This suggests the lack of space even for a short side chain thereby explaining high conservation of glycyl residues even when they adopt (phi, ) values allowed for Ala. In 189 alignment positions, the conserved glycyl residues adopt (phi, ) values which are disallowed for Ala. In-silico mutation of these Gly residues to Ala almost always results in steric hindrance involving C atom of Ala as one would expect by comparing Ramachandran maps for Ala and Gly. Rare occurrence of the disallowed glycyl conformations even in ultrahigh resolution protein structures are accompanied by short contacts in the crystal structures and such disallowed conformations are not conserved in the homologues. These observations raise the doubt on the accuracy of such glycyl conformations in proteins.

A metal-free and a solvent-free synthesis of thio-amides and amides: an efficient Friedel-Crafts arylation of isothiocyanates and isocyanates

A rapid, metal-free and solvent-free (very low loading of solvent in few cases) reaction conditions for synthesizing thioamides and amides using a Bronsted super acid such as triflic acid has been developed. This method shows a broad substrate scope with a variety of electron-rich arenes including thiophene derivatives. The reaction works well for both aromatic as well as aliphatic isothiocyanates. Most of the thioamides are obtained in excellent yields in short reaction times and in most of the examples, a simple work up procedure has been developed which does not require further purification.

Shock tunnel measurements of surface pressures in shock induced separated flow field using MEMS sensor array

Characterized not just by high Mach numbers, but also high flow total enthalpies-often accompanied by dissociation and ionization of flowing gas itself-the experimental simulation of hypersonic flows requires impulse facilities like shock tunnels. However, shock tunnel simulation imposes challenges and restrictions on the flow diagnostics, not just because of the possible extreme flow conditions, but also the short run times-typically around 1 ms. The development, calibration and application of fast response MEMS sensors for surface pressure measurements in IISc hypersonic shock tunnel HST-2, with a typical test time of 600 mu s, for the complex flow field of strong (impinging) shock boundary layer interaction with separation close to the leading edge, is delineated in this paper. For Mach numbers 5.96 (total enthalpy 1.3 MJ kg(-1)) and 8.67 (total enthalpy 1.6 MJ kg(-1)), surface pressures ranging from around 200 Pa to 50 000 Pa, in various regions of the flow field, are measured using the MEMS sensors. The measurements are found to compare well with the measurements using commercial sensors. It was possible to resolve important regions of the flow field involving significant spatial gradients of pressure, with a resolution of 5 data points within 12 mm in each MEMS array, which cannot be achieved with the other commercial sensors. In particular, MEMS sensors enabled the measurement of separation pressure (at Mach 8.67) near the leading edge and the sharply varying pressure in the reattachment zone.

Optimizing Photovoltaic Response by Tuning Light-Harvesting Nanocrystal Shape Synthesized Using a Quick Liquid-Gas Phase Reaction

The electron recombination lifetime in a sensitized semiconductor assembly is greatly influenced by the crystal structure and geometric form of the light-harvesting semiconductor nanocrystal. When such light harvesters with varying structural characteristics are configured in a photoanode, its interface with the electrolyte becomes equally important and directly influences the photovoltaic efficiency. We have systematically probed here the influence of nanocrystal crystallographic structure and shape on the electron recombination lifetime and its eventual influence on the light to electricity conversion efficiency of a liquid junction semiconductor sensitized solar cell. The light-harvesting cadmium sulfide (CdS) nanocrystals of distinctly different and controlled shapes are obtained using a novel and simple liquid gas phase synthesis method performed at different temperatures involving very short reaction times. High resolution synchrotron X-ray diffraction and spectroscopic studies respectively exhibit different crystallographic phase content and optical properties. When assembled on a mesoscopic TiO2 film by a linker molecule, they exhibit remarkable variation in electron recombination lifetime by 1 order of magnitude, as determined by ac-impedance spectroscopy. This also drastically affects the photovoltaic efficiency of the differently shaped nanocrystal sensitized solar cells.

Optimizing Photovoltaic Response by Tuning Light-Harvesting Nanocrystal Shape Synthesized Using a Quick Liquid-Gas Phase Reaction

The electron recombination lifetime in a sensitized semiconductor assembly is greatly influenced by the crystal structure and geometric form of the light-harvesting semiconductor nanocrystal. When such light harvesters with varying structural characteristics are configured in a photoanode, its interface with the electrolyte becomes equally important and directly influences the photovoltaic efficiency. We have systematically probed here the influence of nanocrystal crystallographic structure and shape on the electron recombination lifetime and its eventual influence on the light to electricity conversion efficiency of a liquid junction semiconductor sensitized solar cell. The light-harvesting cadmium sulfide (CdS) nanocrystals of distinctly different and controlled shapes are obtained using a novel and simple liquid gas phase synthesis method performed at different temperatures involving very short reaction times. High resolution synchrotron X-ray diffraction and spectroscopic studies respectively exhibit different crystallographic phase content and optical properties. When assembled on a mesoscopic TiO2 film by a linker molecule, they exhibit remarkable variation in electron recombination lifetime by 1 order of magnitude, as determined by ac-impedance spectroscopy. This also drastically affects the photovoltaic efficiency of the differently shaped nanocrystal sensitized solar cells.

Extended ageing time and temperature effects on quality of sub-primal cuts of boxed beef

[EN]Most of the information indicating ageing improves tenderness has been collected on the loin and rib-eye muscles over relatively short ageing times, assuming that all muscles will react similarly. In the present study, the effect of extended ageing times on instrumental texture (56 d) and sensory characteristics (42 d) of six different beef sub-primals [striploin (SL), inside round (IR), outside round (OR), eye of round (ER), blade eye (BE) and chuck tender (CT)] was studied. The effects of two ageing temperatures (1and 58C) were also compared. In general, ageing increased tenderness (P<0.05) of SL, BE, ER and CT sub-primals, although BE shear force increased after 42 d of ageing. On the other hand, ageing had no effect on IR tenderness (P<0.05) and resulted in a decrease in tenderness of OR (P<0.05) until day 35, with a later increase after 42 d of ageing. Increasing ageing temperature (58C) had limited effect on tenderness, but ageing time and temperature increases led to lower flavour and higher off-flavour intensity (P<0.05) of the studied sub-primals. These results suggest that cutspecific maximum ageing times and rigid adherence to temperature maximums would be of benefit to optimize postslaughter processes and meat quality

Torsion fracture behavior of drawn pearlitic steel wires with different heat treatments

In this paper, torsion fracture behavior of drawn pearlitic steel wires with different heat treatments was investigated. Samples with different heat treatments was investigated. Samples with different heat treatment conditions were subjected to torsion and tensile tests. The shear strain along the torsion sample after fracture was measured. Fracture surface of wires was examined by Scanning Electron Microscopy. In addition, the method of Differential Scanning Calorimetry was used to characterize the thermodynamic process in the heat treatment. A numerical simulation via finite element method on temperature field evolution for the wire during heat treatment process was performed. The results show that both strain aging and recovery process occur in the material within the temperature range between room temperature and 435 degrees C. It was shown that the ductility measured by the number of twists drops at short heating times and recovers after further heating in the lead bath of 435 degrees C. On the other hand, the strenght of the wire increases at short heating times and decreases after further heating. The microstructure inhomogeneity due to short period of heat treatment, coupled with the gradient characteristics of shear deformation during torsion results in localized shear deformation of the wire. In this situation, shear cracks nucleate between lamella and the wire breaks with low number of twists.

Prism coupling of ultrashort light pulses into waveguides

We discuss coupling of ultrashort light pulses into waveguides by use of a prism waveguide coupler configuration. Theoretical analysis indicates that an extra loss induced by the short coherence times of ultrashort pulses, which has a strong effect on the reflected light and the optimum coupling condition, appears in the waveguide. Numerical simulations show that the reflectance strongly depends on the coherence times of ultrashort pulses. A method for realizing optimum coupling by compensating for the extra loss is proposed as well in this paper. A preliminary experiment of employing ultrashort pulses with different coherence times was carried out, and good agreement between theory and experiment was obtained. (c) 2006 Optical Society of America.

Gear modifications for fishing octopus, Octopus vulgaris, on live-bottom and adjacent flat bottom habitats in coastal waters off North Carolina

The Common Octopus, Octopus vulgaris, is an r-selected mollusk found off the coast of North Carolina that interests commercial fishermen because of its market value and the cost-effectiveness of unbaited pots that can catch it. This study sought to: 1) determine those gear and environmental factors that influenced catch rates of octopi, and 2) evaluate the feasibility of small-scale commercial operations for this species. Pots were fished from August 2010 through September 2011 set in strings over hard and sandy bottom in waters from 18 to 30 m deep in Onslow Bay, N.C. Three pot types were fished in each string; octopus pots with- and without lids, and conch pots. Proportional catch was modeled as a function of gear design and environmental factors (location, soak time, bottom type, and sea surface water temperature) using binomially distributed generalized linear models (GLM’s); parsimony of each GLM was assessed with Akaike Information Criteria (AIC). A total of 229 octopi were caught throughout the study. Pots with lids, pots without lids, and conch pots caught an average of 0.15, 0.17, and 0.11 octopi, respectively, with high variability in catch rates for each pot type. The GLM that best fit the data described proportional catch as a function of sea surface temperature, soak time, and station; greatest proportional catches occurred over short soak times, warmest temperatures, and less well known reef areas. Due to operating expenses (fuel, crew time, and maintenance), low catch rates of octopi, and high gear loss, a directed fishery for this species is not economically feasible at the catch rates found in this study. The model fitting to determine factors most influential on catch rates should help fishermen determine seasons and gear soak times that are likely to maximize catch rates. Potting for octopi may be commercially practical as a supplemental activity when targeting demersal fish species that are found in similar habitats and depth ranges in coastal waters off North Carolina.

Mesoscale, cyclonic eddies as larval fish habitat along the southeast United States shelf: A Lagrangian description of the zooplankton community

The Charleston Gyre region is characterized by continuous series of cyclonic eddies that propagate northeastwards before decaying or coalescing with the Gulf Stream south of Cape Hatteras, NC, USA. Over 5 d, chlorophyll-a concentration, zooplankton displacement volume, and zooplankton composition and abundance changed as the eddy moved to the northeast. Surface chlorophyll-a concentration decreased, and zooplankton displacement remained unchanged as the eddy propagated. Zooplankton taxa known to be important dietary constituents of larval fish increased in concentration as the eddy propagated. The concurrent decrease in chlorophyll-a concentration and static zooplankton displacement volume can be explained by initial stimulation of chlorophyll-a concentration by upwelling and nutrient enrichment near the eddy core and to possible grazing as zooplankton with short generation times and large clutch sizes increased in concentration. The zooplankton community did not change significantly within the 5 d that the eddy was tracked, and there was no indication of succession. Mesoscale eddies of the region are dynamic habitats as eddies propagate northeastwards at varying speeds within monthly periods. The abundance of zooplankton important to the diets of larval fish indicates that the region can provide important pelagic nursery habitat for larval fish off the southeast coast of the United States. A month of feeding and growth is more than half the larval duration of most fish spawned over the continental shelf of the southeastern United States in winter.

Fracture and energy partitioning in uncooked and cooked noodles

Humans perform fascinating science experiments at home on a daily basis when they undertake the modification of natural and naturally-derived materials by a cooking process prior to consumption. The material properties of such foods are of interest to food scientists (texture is often fundamental to food acceptability), oral biologists (foods modulate feeding behavior), anthropologists (cooking is probably as old as the genus Homo and distinguishes us from all other creatures) and dentists (foods interact with tooth and tooth replacement materials). Materials scientists may be interested in the drastic changes in food properties observed over relatively short cooking times. In the current study, the mechanical properties of one of the most common (and oldest at 4,000+ years) foods on earth, the noodle, were examined as a function of cooking time. Two types of noodles were studied, each made from natural materials (wheat flour, salt, alkali and water) by kneading dough and passing them through a pasta-making machine. These were boiled for between 2-14 min and tested at regular intervals from raw to an overcooked state. Cyclic tensile tests at small strain levels were used to examine energy dissipation characteristics. Energy dissipation was >50% per cycle in uncooked noodles, but decreased by an order of magnitude with cooking. Fractional dissipation values remained approximately constant at cooking times greater than 7 min. Overall, a greater effect of cooking was on viscoplastic dissipation characteristics rather than on fracture resistance. The results of the current study plot the evolution of a viscoplastic mixture into an essentially elastic material in the space of 7 minutes and have broad implications for understanding what cooking does to food materials. In particular, they suggest that textural assessment by consumers of the optimally cooked state of food has a definite physical definition. © 2007 Materials Research Society.

Transport properties of Ca-doped YBCO coated conductors

The authors have doped RABiTS coated conductor tapes with Ca in an attempt to enhance the transport properties. By diffusing Ca into the YBCO film from a CaZrO3 overlayer, the authors have been able to preferentially dope the grain boundaries of the superconductor. Hence it has been possible to obtain doped tapes which do not have a significantly degraded T-c. The authors have measured the critical currents of doped and undoped samples over a wide range of temperature, magnetic field, and magnetic field angle in order to study the effect of Ca on the grain boundaries. The authors find that doping using short anneal times produces enhanced critical currents in large magnetic fields.

Towards real-time profiling of sprints using wearable pressure sensors

On-body sensor systems for sport are challenging since the sensors must be lightweight and small to avoid discomfort, and yet robust and highly accurate to withstand and capture the fast movements associated with sport. In this work, we detail our experience of building such an on-body system for track athletes. The paper describes the design, implementation and deployment of an on-body sensor system for sprint training sessions. We autonomously profile sprints to derive quantitative metrics to improve training sessions. Inexpensive Force Sensitive Resistors (FSRs) are used to capture foot events that are subsequently analysed and presented back to the coach. We show how to identify periods of sprinting from the FSR data and how to compute metrics such as ground contact time. We evaluate our system using force plates and show that millisecond-level accuracy is achievable when estimating contact times. © 2012 Elsevier B.V. All rights reserved.

Rapid Electron Beam Reacted Tantalum/Titanium Bilayers on Silicon : Semiconductors and Semiconductor Devices

The electrical and structural characteristics of tantalum-titanium bilayers on silicon reacted by electron beam heating have been investigated over a wide range of temperature and time conditions. The reacted layers exhibit low sheet resistance and stable electrical characteristics up to at least 1100℃. Titanium starts reacting from 750℃ onwards for 100 milliseconds reaction times whereas tantalum starts reacting only above 900℃ for such short reaction times. RBS results confirm that silicon is the major diffusing species and there is no evidence for the formation of ternary silicides. Reactions have also been explored on millisecond time scales by non-isothermal heating.

A fast detailed-chemistry modelling approach for simulating the SI-HCCI transition

An established Stochastic Reactor Model (SRM) is used to simulate the transition from Spark Ignition (SI) to Homogeneous Charge Compression Ignition (HCCI) combustion mode in a four cylinder in-line four-stroke naturally aspirated direct injection SI engine with cam profile switching. The SRM is coupled with GT-Power, a one-dimensional engine simulation tool used for modelling engine breathing during the open valve portion of the engine cycle, enabling multi-cycle simulations. The mode change is achieved by switching the cam profiles and phasing, resulting in a Negative Valve Overlap (NVO), opening the throttle, advancing the spark timing and reducing the fuel mass as well as using a pilot injection. A proven technique for tabulating the model is used to create look-up tables in both SI and HCCI modes. In HCCI mode several tables are required, including tables for the first NVO, transient valve timing NVO, transient valve timing HCCI and steady valve timing HCCI and NVO. This results in the ability to simulate the transition with detailed chemistry in very short computation times. The tables are then used to optimise the transition with the goal of reducing NO x emissions and fluctuations in IMEP. Copyright © 2010 SAE International.