Chain Length Effects on Helix-Hairpin Distribution in Short Peptides with Aib-(D)Ala and Aib-Aib Segments

The Aib-(D)Ala dipeptide segment has a tendency to form both type-I'/III' and type-I/III beta-turns. The occurrence of prime turns facilitates the formation of beta-hairpin conformations, while type-I/III turns can nucleate helix formation. The octapeptide Boc-Leu-Phe-Val-Aib-(D)Ala-Leu-Phe-Val-OMe (1) has been previously shown to form a beta-hairpin in the crystalline state and in solution. The effects of sequence truncation have been examined using the model peptides Boc-Phe-Val-Aib-Xxx-Leu-Phe-NHMe (2, 6), Boc-Val-Aib-Xxx-Leu-NHMe (3, 7), and Boc-Aib-Xxx-NHMe (4, 8), where Xxx = (D)Ala, Aib. For peptides with central Aib-Aib segments, Boc-Phe-Val-Aib-Aib-Leu-Phe-NHMe (6), Boc-Val-Aib-Aib-Leu-NHMe (7), and Boc-Aib-Aib-NHMe (8) helical conformations have been established by NMR studies in both hydrogen bonding (CD(3)OH) and non-hydrogen bonding (CDCl(3)) solvents. In contrast, the corresponding hexapeptide Boc-Phe-Val-Aib-(D)Ala-Leu-Phe-Val-NHMe (2) favors helical conformations in CDCl(3) and beta-hairpin conformations in CD(3)OH. The beta-turn conformations (type-I'/III) stabilized by intramolecular 4 -> 1 hydrogen bonds are observed for the peptide Boc-Aib-(D)Ala-NHMe (4) and Boc-Aib-Aib-NIiMe (8) in crystals. The tetrapeptide Boc-Val-Aib-Aib-Leu-NHMe (7) adopts an incipient 3(10)-helical conformation stabilized by three 4 -> 1 hydrogen bonds. The peptide Boc-Val-Aib-(D)Ala-Leu-NHMe (3) adopts a novel et-turn conformation, stabilized by three intramolecular hydrogen bonds (two 4 -> 1 and one 5 -> 1). The Aib-L(D)Ala segment adopts a type-I' beta-turn conformation. The observation of an NOE between Val (1) NH <-> HNCH(3) (5) in CD(3)OH suggests, that the solid state conformation is maintained in methanol solutions. (C) 2011 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 96: 744-756, 2011.

Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments

The effect of incorporation of a centrally positioned Ac(6)c-Xxx segment where Xxx = (L)Val/(D)Val into a host oligopeptide composed of L-amino acid residues has been investigated. Studies of four designed octapeptides Boc-Leu-Phe-Val-Ac(6)c-Xxx-Leu-Phe-Val-OMe (Xxx = (D)Val 1, (L)Val 2) Boc-Leu-Val-Val-Ac(6)c-Xxx-Leu-Val-Val-OMe (Xxx = (D)Val 3, (L)Val 4) are reported. Diagnostic nuclear Overhouse effects characteristic of hairpin conformations are observed for Xxx = (D)Val peptides (1 and 3) while continuous helical conformation characterized by sequential NiH <-> Ni+1H NOEs are favored for Xxx = (L)Val peptides (2 and 4) in methanol solutions. Temperature co-efficient of NH chemical shifts are in agreement with distinctly different conformational preferences upon changing the configuration of the residue at position 5. Crystal structures of peptides 2 and 4 (Xxx = (L)Val) establish helical conformations in the solid state, in agreement with the structures deduced from NMR data. The results support the design principle that centrally positioned type I beta-turns may be used to nucleate helices in short peptides, while type I' beta-turns can facilitate folding into beta-hairpins.

Fatigue crack growth due to overloads in plain concrete using scaling laws

Scaling laws are represented in power law form and can be utilized to extract the characteristic properties of a new phenomenon with the help of self-similar solutions. In this work, an attempt has been made to propose a scaling law analytically, for plain concrete when subjected to variable amplitude loading. Due to the application of overload on concrete structures, acceleration in the crack growth process takes place. A closed form expression has been developed to capture the acceleration in crack growth rate in conjunction with the principles of dimensional analysis and self-similarity. The proposed model accounts for parameters such as, the tensile strength, fracture toughness, overload effect and the structural size. Knowing the governed and the governing parameters of the physical problem and by using the concepts of self-similarity, a relationship is obtained between the different parameters involved. The predicted results are compared with experimental crack growth data for variable amplitude loading and are found to capture the overload effect with sufficient accuracy. Through a sensitivity analysis, fracture toughness is found to be the most dominant parameter in accelerating the crack length due to application of overload.

Quasi-static crack tip fields in rate-sensitive FCC single crystals

In this work, the effects of loading rate, material rate sensitivity and constraint level on quasi-static crack tip fields in a FCC single crystal are studied. Finite element simulations are performed within a mode I, plane strain modified boundary layer framework by prescribing the two term (K-T) elastic crack tip field as remote boundary conditions. The material is assumed to obey a rate-dependent crystal plasticity theory. The orientation of the single crystal is chosen so that the crack surface coincides with the crystallographic (010) plane and the crack front lies along 101] direction. Solutions corresponding to different stress intensity rates K., T-stress values and strain rate exponents m are obtained. The results show that the stress levels ahead of the crack tip increase with K. which is accompanied by gradual shrinking of the plastic zone size. However, the nature of the shear band patterns around the crack tip is not affected by the loading rate. Further, it is found that while positive T-stress enhances the opening and hydrostatic stress levels ahead of crack tip, they are considerably reduced with imposition of negative T-stress. Also, negative T-stress promotes formation of shear bands in the forward sector ahead of the crack tip and suppresses them behind the tip.

Motion Analysis for Short and Long Jump

Motion analysis is very essential in sport activities to enhance the performance of an athlete and to ensure the correctness of regimes. Expensive methods of motion analysis involving the use of sophisticated technology has led to limited application of motion analysis in sports. Towards this, in this paper we have integrated a low-cost method for motion analysis using three axis accelerometer, three axis magnetometer and microcontroller which are very accurate and easy to use. Seventeen male subjects performed two experiments, standing short jumps and long jumps over a wide range of take-off angles. During take-off and landing the acceleration and angles at different joints of the body are recorded using accelerometers and magnetometers, and the data is captured using Lab VIEW software. Optimum take-off angle in these jumps are calculated using the recorded data, to identify the optimum projection angle that maximizes the distance achieved in a jump. The results obtained for optimum take off angle in short jump and long jump is in agreement with those obtained using other methodologies and theoretical calculations assuming jump to be a projectile motion. The impact force (acceleration) is also analysed and is found to progressively decrease from foot to neck.

Use of acoustic emissions in flexural fatigue crack growth studies on concrete

The acoustic emission technique is used for monitoring the fatigue crack growth in plain concrete beams under three-point loading. Variable amplitude loading with step-wise increase in the maximum load is applied. The fatigue crack growth is continuously monitored using six acoustic sensors. The results of load, displacement, crack mouth opening displacement, acoustic events, and acoustic energy are simultaneously acquired during the test. It is seen that a Paris law type of relationship exists between the rate of increase of acoustic emission count per cycle and the stress intensity factor range. Using b-value analysis, different stages of fatigue fracture is explained. (C) 2012 Elsevier Ltd. All rights reserved.

A LOWER INITIAL ABUNDANCE OF SHORT-LIVED Ca-41 IN THE EARLY SOLAR SYSTEM AND ITS IMPLICATIONS FOR SOLAR SYSTEM FORMATION

The short-lived radionuclide Ca-41 plays an important role in constraining the immediate astrophysical environment and the formation timescale of the nascent solar system due to its extremely short half-life (0.1 Myr). Nearly 20 years ago, the initial ratio of Ca-41/Ca-40 in the solar system was determined to be (1.41 +/- 0.14) x 10(-8), primarily based on two Ca-Al-rich Inclusions (CAIs) from the CV chondrite Efremovka. With an advanced analytical technique for isotopic measurements, we reanalyzed the potassium isotopic compositions of the two Efremovka CAIs and inferred the initial ratios of Ca-41/Ca-40 to be (2.6 +/- 0.9) x 10(-9) and (1.4 +/- 0.6) x 10(-9) (2 sigma), a factor of 7-10 lower than the previously inferred value. Considering possible thermal processing that led to lower Al-26/Al-27 ratios in the two CAIs, we propose that the true solar system initial value of Ca-41/Ca-40 should have been similar to 4.2 x 10(-9). Synchronicity could have existed between Al-26 and Ca-41, indicating a uniform distribution of the two radionuclides at the time of CAI formation. The new initial Ca-41 abundance is 4-16 times lower than the calculated value for steady-state galactic nucleosynthesis. Therefore, Ca-41 could have originated as part of molecular cloud materials with a free decay time of 0.2-0.4 Myr. Alternative possibilities, such as a last-minute input from a stellar source and early solar system irradiation, could not be definitively ruled out. This underscores the need for more data from diverse CAIs to determine the true astrophysical origin of Ca-41.

Evaluation of Fracture Parameters by Double-G, Double-K Models and Crack Extension Resistance for High Strength and Ultra High Strength Concrete Beams

This paper presents the advanced analytical methodologies such as Double- G and Double - K models for fracture analysis of concrete specimens made up of high strength concrete (HSC, HSC1) and ultra high strength concrete. Brief details about characterization and experimentation of HSC, HSC1 and UHSC have been provided. Double-G model is based on energy concept and couples the Griffith's brittle fracture theory with the bridging softening property of concrete. The double-K fracture model is based on stress intensity factor approach. Various fracture parameters such as cohesive fracture toughness (4), unstable fracture toughness (K-Ic(c)), unstable fracture toughness (K-Ic(un)) and initiation fracture toughness (K-Ic(ini)) have been evaluated based on linear elastic fracture mechanics and nonlinear fracture mechanics principles. Double-G and double-K method uses the secant compliance at the peak point of measured P-CMOD curves for determining the effective crack length. Bi-linear tension softening model has been employed to account for cohesive stresses ahead of the crack tip. From the studies, it is observed that the fracture parameters obtained by using double - G and double - K models are in good agreement with each other. Crack extension resistance has been estimated by using the fracture parameters obtained through double - K model. It is observed that the values of the crack extension resistance at the critical unstable point are almost equal to the values of the unstable fracture toughness K-Ic(un) of the materials. The computed fracture parameters will be useful for crack growth study, remaining life and residual strength evaluation of concrete structural components.

Short- and long-term temporal variations in salinity and the oxygen, carbon and hydrogen isotopic compositions of the Hooghly Estuary water, India

The Hooghly River estuary provides a unique experimental site to understand the effect of monsoonal river discharge on freshwater and seawater mixing. Water samples collected bi-weekly for a duration of 17 months were analyzed for salinity, delta O-18,delta C-13(DIC), as well as delta D to investigate the differential mixing of freshwater and seawater. The differences in salinity and delta O-18 of samples collected during low and high tides on the same day are strongly correlated suggesting a well mixed water column at our sampling site. Low salinity and depleted delta O-18 during monsoon is consistent with increased river discharge as well as high rainfall. We identified different slopes in a delta O-18 versus salinity plot for the estuary water samples collected during monsoon and non-monsoon seasons. This is driven by composition of the freshwater source which is dominated by rainwater during monsoon and rivers during non-monsoon months. Selected delta D analyses of samples indicate that groundwater contributes significantly to the Hooghly Estuary during low rainfall times of the year. delta C-13(DIC) measured in the water recorded low values towards the end of monsoon indicating low productivity (i.e. increased organic respiration) while progressively increasing delta C-13(DIC) values from October till January as well as during some of the pre-monsoon months can be explained by increasing productivity. Very low delta C-13(DIC) (similar to-20%0) suggests involvement of carbon derived from anaerobic oxidation of organics and/or methane with potential contribution from increased anthropogenic water supply. An estimate of seawater incursion into the Hooghly Estuary at different times of the year is obtained by using salinity data in a two-component mixing model. Presence of seawater was found maximum (31-37%) during February till July and lowest (less than or equal to 6%) from September till November. We notice a temporal offset between Ganges River discharge farther upstream at Farakka and salinity variation at the Hooghly Estuary. We believe that this time lag is a result of the physical distance between Farakka and Kakdweep (our sampling location) and put constraints on the travel time of river water during early monsoon. (c) 2012 Published by Elsevier B.V.

Generation of a short-duration ultrawideband chirped-pulse using CRLH transmission lines

In this paper we present the various design issues related to CRLH-Transmission lines for the generation of short duration Ultra-Wideband chirped-pulse. The major parameters of the CRLH Transmission lines affecting the BandWidth are discussed and methods to increase BandWidth are also suggested. Also presented is the role of components of CRLH Transmission lines in determining the chirp duration. The techniques of controlling the chirp duration by regulating these components are also discussed. Simulations results are also included.

Conformationally restricted short peptides inhibit human islet amyloid polypeptide (hIAPP) fibrillization

hIAPP fibrillization implicated in Type 2 diabetes pathology involves formation of oligomers toxic to insulin producing pancreatic beta-cells. We report design, synthesis, 3D structure and functional characterization of dehydrophenylalanine (Delta F) containing peptides which inhibit hIAPP fibrillization. The inhibitor protects beta-cells from hIAPP induced toxicity.

Analysis of fatigue crack growth in RC beams

In this work, a fatigue crack propagation model developed using dimensional analysis for plain concrete is used in conjunction with the steel closing force to predict the crack growth behavior of reinforced concrete beams. A numerical procedure is followed using the proposed model to compute the fatigue life of RC beams and the dissipated energy in the steel reinforcement due to shake down behavior. Through a sensitivity study, it is found that the structural size is the most sensitive parameter on which the crack growth rate is dependent. Furthermore, the moment carrying capacity of an RC beam is computed as function of crack size by considering the effect of bond slip.