Potential functions for hydrogen bond interactions - III. Empirical Potential Function for the Peptide N-H...O=C Hydrogen Bond

A careful comparison of the distribution in the (R, θ)-plane of all NH ... O hydrogen bonds with that for bonds between neutral NH and neutral C=O groups indicated that the latter has a larger mean R and a wider range of θ and that the distribution was also broader than for the average case. Therefore, the potential function developed earlier for an average NH ... O hydrogen bond was modified to suit the peptide case. A three-parameter expression of the form {Mathematical expression}, with △ = R - Rmin, was found to be satisfactory. By comparing the theoretically expected distribution in R and θ with observed data (although limited), the best values were found to be p1 = 25, p3 = - 2 and q1 = 1 × 10-3, with Rmin = 2·95 Å and Vmin = - 4·5 kcal/mole. The procedure for obtaining a smooth transition from Vhb to the non-bonded potential Vnb for large R and θ is described, along with a flow chart useful for programming the formulae. Calculated values of ΔH, the enthalpy of formation of the hydrogen bond, using this function are in reasonable agreement with observation. When the atoms involved in the hydrogen bond occur in a five-membered ring as in the sequence[Figure not available: see fulltext.] a different formula for the potential function is needed, which is of the form Vhb = Vmin +p1△2 +q1x2 where x = θ - 50° for θ ≥ 50°, with p1 = 15, q1 = 0·002, Rmin = 2· Å and Vmin = - 2·5 kcal/mole. © 1971 Indian Academy of Sciences.

A non-orthogonal distributed space-time coded protocol - Part 1:Signal model and design criteria

In this two-part series of papers, a generalized non-orthogonal amplify and forward (GNAF) protocol which generalizes several known cooperative diversity protocols is proposed. Transmission in the GNAF protocol comprises of two phases - the broadcast phase and the cooperation phase. In the broadcast phase, the source broadcasts its information to the relays as well as the destination. In the cooperation phase, the source and the relays together transmit a space-time code in a distributed fashion. The GNAF protocol relaxes the constraints imposed by the protocol of Jing and Hassibi on the code structure. In Part-I of this paper, a code design criteria is obtained and it is shown that the GNAF protocol is delay efficient and coding gain efficient as well. Moreover GNAF protocol enables the use of sphere decoders at the destination with a non-exponential Maximum likelihood (ML) decoding complexity. In Part-II, several low decoding complexity code constructions are studied and a lower bound on the Diversity-Multiplexing Gain tradeoff of the GNAF protocol is obtained.

Transient signal detection using wigner-ville distribution and wavelet denoising

The problem of detecting an unknown transient signal in noise is considered. The SNR of the observed data is first enhanced using wavelet domain filter The output of the wavelet domain filter is then transformed using a Wigner-Ville transform,which separates the spectrum of the observed signal into narrow frequency bands. Each subband signal at the output of the Wigner-ville block is subjected kto wavelet based level dependent denoising (WBLDD)to supress colored noise A weighted sum of the absolute value of outputs of WBLDD is passed through an energy detector, whose output is used as test statistic to take the final decision. By assigning weights proportional to the energy of the corresponding subband signals, the proposed detector approximates a frequency domain matched filter Simulation results are presented to show that the performance of the proposed detector is better than that of the wavelet packet transform based detector.

Peptide hairpin nucleation with the obligatory Type I' beta-turn Aib-(D)Pro segment

The alpha-aminoisobutyric acid-D-proline (Aib-(D)Pro) dipeptide is an obligatory Type I' beta-turn forming segment that nucleates hairpin formation.

Coding for Two-User Gaussian MAC with PSK and PAM Signal Sets

Constellation Constrained (CC) capacity regions of a two-user Gaussian Multiple Access Channel(GMAC) have been recently reported. For such a channel, code pairs based on trellis coded modulation are proposed in this paper with MPSK and M-PAM alphabet pairs, for arbitrary values of M,toachieve sum rates close to the CC sum capacity of the GMAC. In particular, the structure of the sum alphabets of M-PSK and M-PAMmalphabet pairs are exploited to prove that, for certain angles of rotation between the alphabets, Ungerboeck labelling on the trellis of each user maximizes the guaranteed squared Euclidean distance of the sum trellis. Hence, such a labelling scheme can be used systematically,to construct trellis code pairs to achieve sum rates close to the CC sum capacity. More importantly, it is shown for the first time that ML decoding complexity at the destination is significantly reduced when M-PAM alphabet pairs are employed with almost no loss in the sum capacity.

An unusual C-H center dot center dot center dot O hydrogen bond mediated reversal of polypeptide chain direction in a synthetic peptide helix

An unusual C-terminal conformation has been detected in a synthetic decapeptide designed to analyze the stereochemistry of helix termination in polypeptides. The crystal structure of the decapeptide Boc-Leu-Aib-Val-Ala-Leu-Aib-Val-(D)Ala-(D)Leu-Aib-OMe reveals a helical segment spanning residues 1-7 and helix termination by formation of a Schellman motif, generated by (D)Ala(8) adopting the left-handed helical (alpha(L)) conformation. The extended conformation at (D)Leu(9) results in a compact folded structure, stabilized by a potentially strong C-H ... O hydrogen bond between Ala(4) (CH)-H-alpha and (D)Leu(9)CO. The parameters for C-H ... O interaction are Ala(4) (CH)-H-alpha .. O=C (D)Leu(9) distance 3.27 Angstrom C-alpha-H .. O angle 176 degrees, and O .. H-alpha distance 2.29 Angstrom. This structure suggests that insertion of contiguous D-residues may provide a handle for the generation of designed structures containing more than one helical segment folded in a compact manner. (C) 2000 Academic Press.

Unified large and small signal non-quasi-static model for long channel symmetric DG MOSFET

We propose a unified model for large signal and small signal non-quasi-static analysis of long channel symmetric double gate MOSFET. The model is physics based and relies only on the very basic approximation needed for a charge-based model. It is based on the EKV formalism Enz C, Vittoz EA. Charge based MOS transistor modeling. Wiley; 2006] and is valid in all regions of operation and thus suitable for RF circuit design. Proposed model is verified with professional numerical device simulator and excellent agreement is found. (C) 2010 Elsevier Ltd. All rights reserved.

Linear gramicidin activates neutrophil functions and the activation is blocked by chemotactic peptide receptor antagonist

The activation of functional responses in rabbit peritoneal neutrophils by gramicidin and the chemotactic peptide, N-formyl-methionyl-leucyl-phenylalanine methyl ester, was studied. Gramicidin activated superoxide generation, lysosomal enzyme release and a decrease in fluorescence of chlortetracycline-loaded cells, as for the chemotactic peptide. The maximum intensities of the responses by gramicidin were lower than that by chemotactic peptide. Responses by both these peptides could be inhibited by t-butyloxycarbonyl-methionyl-leucyl-phenylalanine, a chemotactic peptide receptor antagonist. Gramicidin gave responses at low doses comparable to that of the chemotactic peptide.

Composite signal decomposition by digital inverse filtering

Inverse filters are conventionally used for resolving overlapping signals of identical waveshape. However, the inverse filtering approach is shown to be useful for resolving overlapping signals, identical or otherwise, of unknown waveshapes. Digital inverse filter design based on autocorrelation formulation of linear prediction is known to perform optimum spectral flattening of the input signal for which the filter is designed. This property of the inverse filter is used to accomplish composite signal decomposition. The theory has been presented assuming constituent signals to be responses of all-pole filters. However, the approach may be used for a general situation.