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1.
The crystal structure of the peptide Boc-Phe-Val-OMe determined by X-ray diffraction methods is reported in this paper. The crystals grown from aqueous methanol are orthorhombic, space group P2(1)2(1)2(1),a = 11.843(2), b = 21.493(4), c = 26.676(4) A3 and V = 6790 A3. Data were collected on a CAD4 diffractometer using MoK alpha radiation (lambda = 0.7107 A) up to Bragg angle theta = 26 degrees. The structure was solved by direct methods and refined by a least-squares procedure to an R value of 6.8% for 3288 observed reflections. There are three crystal-lographically independent peptide molecules in the asymmetric unit. All the three molecules exhibit extended conformation. The sidechain of the Val2 residue shows two different conformations. The conformation of the peptide Boc-Phe-Val-OMe is compared with the conformation of Ac-delta Phe-Val-OH. It is observed that while Boc-Phe-Val-OMe exhibits an extended conformation, Ac-delta Phe-Val-OH shows a folded conformation. The results of this comparison highlight the conformation constraining property of the delta Phe residue. Interestingly, even though Boc-Phe-Val-OMe and Ac-delta Phe-Val-OH are conformationally different, they exhibit similar packing patterns in the solid state.  相似文献   
2.
Scientific research is becoming increasingly dependent on the large-scale analysis of data using distributed computing infrastructures (Grid, cloud, GPU, etc.). Scientific computing (Petitet et al. 1999) aims at constructing mathematical models and numerical solution techniques for solving problems arising in science and engineering. In this paper, we describe the services of an integrated portal based on the P-Grade (Parallel Grid Run-time and Application Development Environment) portal (http://www.p-grade.hu) that enables the solution of large-scale linear systems of equations using direct solvers, makes easier the use of parallel block iterative algorithm and provides an interface for parallel decision making algorithms. The ultimate goal is to develop a single sign on integrated multi-service environment providing an easy access to different kind of mathematical calculations and algorithms to be performed on hybrid distributed computing infrastructures combining the benefits of large clusters, Grid or cloud, when needed.  相似文献   
3.
In this paper, we present an integration framework for heterogeneous motion generators. The objective is to outline issues that are currently easily solved in professional post-processing systems used in film and game production but which cannot be transposed as is to real-time systems with autonomous agents. We summarise our approach for articulated agent-modelling and their animation by combining heterogeneous motion generators, such as real-time motion capturing, key-framing, inverse kinematics, procedural walking. We propose an agent/action-oriented framework. Activity properties such as action simultaneity and motion blending, spatial coherence, motion-flow update schemes, agent attachments, and location corrections, are the main topics handled by our generic animation framework. Numerous examples throughout the paper illustrate our approach and outline encountered problems and solutions or open research directions.  相似文献   
4.
Comparison of bioinformatic data is a common application in the life sciences and beyond. In this communication, a novel Java based software tool, ProteinParser, is outlined. This software tool calculates a detailed consensus, or most common, amino acid at a given position in an aligned protein set, whilst also generating a full consensus protein FASTA output. A second application of this software tool, computing a consensus amino acid given a tolerance threshold, is also demonstrated. The phytase and the common bacterial beta-lactamase proteins are analysed as 'proof of concept' examples. Consensus proteins, as generated by ProteinParser, are regularly utilised in the selection of residues for protein stabilisation mutagenesis; however, this widely applicable software tool will find many alternative applications in areas such as protein homology modelling.  相似文献   
5.
In the global market place, many companies have had to adapt their strategies to meet significant challenges. A strategy adopted by some companies has been international expansion via acquisitions. The need for expert knowledge to determine an appropriate company to acquire has been complicated by the sheer size of the global market place. The costs associated with this in relation to time and personnel have created the need for a computerised expert system to be developed. This paper endeavours to show how a proposed fuzzy based system can assist in the identification of a company for acquisition. The authors discuss the manipulation of the magnitude of fuzzy membership functions to communicate priorities within the system. The fuzzy system is designed to assist financial experts in identifying a suitable company for acquisition in the corporate acquisition process. This includes the deliberate weighting of certain inputs and results above others in the decision-making process. The system attempts to learn and simulate the human precedence given to particular financial statistics in company analysis. The system uses the magnitude of the fuzzy membership functions to reflect the human precedence given to each financial ratio. This enables a particular company's strengths and weakness to be considered while concurrently considering their significance and relevance to the acquiring organisation. The system will enable a larger number of companies to be analysed in a more time and cost-effective manner. The development of this system is intended to illustrate that a fuzzy system can aid the financial experts of an acquiring organisation in the global acquisition process.  相似文献   
6.
Sous vide is increasingly used to process convenience foods including ready-meals as it is reputed to give superior quality because of the mild process and the absence of oxygen in the pack. The potential for temperature abuse is greater for sous vide ready-meals than for sous vide catered items as the distribution and retailing chain for the former is usually longer. Freezing sous vide foods is, therefore, a potentially safer alternative to sous vide processed foods followed by chilling. The objective of the current study was to investigate production of sous vide frozen sliced (discs) carrots, with similar quality to sous vide chilled product. Sensory trials were used to determine the acceptable shear texture range (1.0–2.8 kN) for steamed carrots and this was the target texture in the processing trials. A Barriquand Steriflow retort was used for sous vide processing and the optimized conditions using carrot discs were: low temperature blanch (50 °C/30 min; firms product); blanch (90 °C/3 min; inactivates enzymes); sous vide cook (90 °C to core P9010 values > 4 min and < 6 min); blast freeze (? 35 °C/2 h); and store (? 25 °C). Carrot discs prepared from untreated raw carrots had a firmer texture than those prepared from either blanched or blanched and frozen material. Freezing post-sous vide cooking softened texture in comparison with chilling, but freezing rate (nitrogen; blast; cabinet methods) and frozen storage (9 months) had a minimal effect on product texture and quality. Scanning electron microscopy showed no significant structural differences between sous vide frozen and chilled carrots of similar shear values. Paired comparison sensory testing of sous vide frozen and chilled sliced carrots indicated a significant preference for the latter at the 20-day storage date.Industrial relevance: The trials dealt with the effects of freezing on the quality of sous vide processed carrots. This is of relevance to companies who wish to produce texturally acceptable sous vide frozen or chilled components as part of ready-meals.  相似文献   
7.
Fruit smoothie samples were thermally (P70 > 10 min) or high hydrostatic pressure (HHP) processed (450 MPa/20 °C/5 min or 600 MPa/20 °C/10 min) and the total antioxidant capacity (TAC), levels of antioxidant groups [total phenols (TP), anthocyanins and ascorbic acid], instrumental colour, polyphenol oxidase (PPO) enzyme activity and dissolved oxygen were examined over a storage period of 10 h at 4 °C. Thermal processing of smoothies reduced (p < 0.001) TAC and TP values, ascorbic acid and L and a colour attributes (lightness and redness respectively) compared to fresh and HHP-450 processed samples. Conversely, it did result in complete inactivation of PPO enzyme, with no activity detected. Of the HHP treatments, HHP-450 samples had higher (p < 0.001) levels of total antioxidant, phenols and anthocyanin content than HHP-600 samples. However, the latter was more effective in reducing (p < 0.001) the endogenous enzyme activity of the smoothies. .Ascorbic acid content degraded over the storage for all smoothies. HHP-600 samples had high initial values, which declined slowly over storage, while thermal samples had the lowest initial value (0.5 h) that fell below detectable limits by 10 h. Despite these data, less pronounced effects were observed for storage. No significant effects were observed for total anthocyanin and phenolic contents as well as L and colour change (ΔE) variables. Overall, HHP processing of smoothies at moderate temperatures may be a suitable alternative to traditional thermal processing.  相似文献   
8.
Dried fruits consumption has not received much research attention, although these foods are associated with potential health benefits. Therefore, the aim of this study was to compare fresh fruits and dried fruits on measures of health, convenience and consumer feelings.An on-line questionnaire that measured consumers' perceptions of the health benefits and convenience characteristics and their feelings about the consumption of both fresh fruits (apples and plums) and dried fruits (e.g., raisins, dates, and apricots) was completed by 693 respondents (Polish, French, and Dutch).Generally, fresh fruits were perceived to be healthier and less convenient than dried fruits. Consumers also reported more positive feelings about the consumption of fresh fruits compared to dried fruits. The more that the respondents were willing to sacrifice for their health, the more positively they rated the health aspects of both fresh and dried fruits, as well as several perceptions of convenience of both fresh and dried fruits. Health preoccupation was unrelated to most of the convenience perceptions and was associated with lower scores on several perceptions of healthiness. Recommendations for the consumer-oriented development of dried fruits are also provided.  相似文献   
9.
10.
In this study, the effects of material thickness and processing method on the degradation rate and the changes in the mechanical properties of poly(lactic-co-glycolic acid) material during simulated physiological degradation were investigated. Two types of poly(lactic-co-glycolic acid) materials were considered: 0.12?mm solvent-cast films and 1?mm compression-moulded plates. The experimental results presented in this study were compared to the experimental results of Shirazi et al. (Acta Biomaterialia 10(11):4695–703, 2014) for 0.25?mm solvent-cast films. These experimental observations were used to validate the computational modelling predictions of Shirazi et al. (J Mech Behav Biomed Mater 54: 48–59, 2016) on critical diffusion length scale and also to refine the model parameters. The specific material processing methods considered here did not have a significant effect on the degradation rate and the changes in mechanical properties during degradation; however, they influenced the initial molecular weight and they determined the stiffness and hardness of the poly(lactic-co-glycolic acid) material. The experimental observations strongly supported the computational modelling predictions that showed no significant difference in the degradation rate and the changes in the elastic modulus of poly(lactic-co-glycolic acid) films for thicknesses larger than 100?μm.  相似文献   
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