Rate constants for diffusive processes by partial path sampling

We introduce a path sampling method for the computation of rate constants for systems with a highly diffusive character. Based on the recently developed algorithm of transition interface sampling (TIS) this procedure increases the efficiency by sampling only parts of complete transition trajectories confined within a certain region. The algorithm assumes the loss of memory for highly diffusive progression along the reaction coordinate. We compare the new technique to the TIS method for a simple diatomic system and show that the computation time of the new method scales linearly, instead of quadraticaly, with the length of the diffusive barrier. The validity of the memory loss assumption is also discussed.Comment: 12 pages, including 8 figures, RevTeX

A Novel Path Sampling Method for the Calculation of Rate Constants

We derive a novel efficient scheme to measure the rate constant of transitions between stable states separated by high free energy barriers in a complex environment within the framework of transition path sampling. The method is based on directly and simultaneously measuring the fluxes through many phase space interfaces and increases the efficiency with at least a factor of two with respect to existing transition path sampling rate constant algorithms. The new algorithm is illustrated on the isomerization of a diatomic molecule immersed in a simple fluid.Comment: 14 pages, including 13 figures, RevTeX

Exogenous application of platelet-leukocyte gel during open subacromial decompression contributes to improved patient outcome

Background: Platelet-leukocyte gel (PLG) is being used during various surgical procedures in an attempt to enhance the healing process. We studied the effects of PLG on postoperative recovery of patients undergoing open subacromial decompression (OSD). Methods: PLG was produced from platelet-leukocyte-rich plasma (P-LRP), prepared from a unit of whole blood. Forty patients were included in the study. Self-assessed evaluations, using the American Shoulder and Elbow Surgeons scoring system of activities of daily living (ADL), joint instability, pain levels, pain medications, and clinical evaluations for range of motion were conducted. Results: Platelet and leukocyte counts were significantly increased in the P-LRP compared to baseline counts. Treated patients demonstrated decreased visual analog scales for pain and used significantly less pain medication, had an improved range of motion during passive forward elevation, external rotation, external rotation with arm at 90 degrees abduction, internal rotation, and cross body adduction compared to control patients (p < 0.001). No differences in the instability score were observed between the groups. Furthermore, treated patients performed more ADL (p < 0.05). Conclusion: In the PLG-treated group, recovery was faster and patients returned earlier to daily activities and also took less pain medication than control subjects

Can one predict DNA Transcription Start Sites by studying bubbles?

It has been speculated that bubble formation of several base-pairs due to thermal fluctuations is indicatory for biological active sites. Recent evidence, based on experiments and molecular dynamics (MD) simulations using the Peyrard-Bishop-Dauxois model, seems to point in this direction. However, sufficiently large bubbles appear only seldom which makes an accurate calculation difficult even for minimal models. In this letter, we introduce a new method that is orders of magnitude faster than MD. Using this method we show that the present evidence is unsubstantiated.Comment: 4 pages, 3 figures, accepted for publication in physical review letter

Obstacle detection display for visually impaired:Coding of direction, distance, and height on a vibrotactile waist band

Electronic travel aids (ETAs) can potentially increase the safety and comfort of blind users by detecting and displaying obstacles outside the range of the white cane. In a series of experiments, we aim to balance the amount of information displayed and the comprehensibility of the information taking into account the risk of information overload. In Experiment 1, we investigate perception of compound signals displayed on a tactile vest while walking. The results confirm that the threat of information overload is clear and present. Tactile coding parameters that are sufficiently discriminable in isolation may not be so in compound signals and while walking and using the white cane. Horizontal tactor location is a strong coding parameter, and temporal pattern is the preferred secondary coding parameter. Vertical location is also possible as coding parameter but it requires additional tactors and makes the display hardware more complex and expensive and less user friendly. In Experiment 2, we investigate how we can off-load the tactile modality by mitigating part of the information to an auditory display. Off-loading the tactile modality through auditory presentation is possible, but this off-loading is limited and may result in a new threat of auditory overload. In addition, taxing the auditory channel may in turn interfere with other auditory cues from the environment. In Experiment 3, we off-load the tactile sense by reducing the amount of displayed information using several filter rules. The resulting design was evaluated in Experiment 4 with visually impaired users. Although they acknowledge the potential of the display, the added of the ETA as a whole also depends on its sensor and object recognition capabilities. We recommend to use not more than two coding parameters in a tactile compound message and apply filter rules to reduce the amount of obstacles to be displayed in an obstacle avoidance ETA.</p

Innovative Piloting Technique for a Semi-Autonomous UAV Lighter-Than-Air Platform Simulator

UAS design has in these years reached a point in which trends and objectives are well beyond the actual test capabilities. The tendency of the past to build and test has clearly been overridden by new design concepts for many reasons, one of these being the scarce or null possibility of testing safety-critical systems such as UAV systems. This is the context in which the Elettra-Twin-Flyer (ETF) Simulator is constantly upgraded and rearranged to incorporate new features and more advanced capabilities. In this paper it is shown how the piloting modes have been differentiated, to improve the airship autonomy and allow path following operations. Innovative piloting tools have been introduced and a new Human-Machine-Interface has been proposed along

A stitch in time: Efficient computation of genomic DNA melting bubbles

Background: It is of biological interest to make genome-wide predictions of the locations of DNA melting bubbles using statistical mechanics models. Computationally, this poses the challenge that a generic search through all combinations of bubble starts and ends is quadratic. Results: An efficient algorithm is described, which shows that the time complexity of the task is O(NlogN) rather than quadratic. The algorithm exploits that bubble lengths may be limited, but without a prior assumption of a maximal bubble length. No approximations, such as windowing, have been introduced to reduce the time complexity. More than just finding the bubbles, the algorithm produces a stitch profile, which is a probabilistic graphical model of bubbles and helical regions. The algorithm applies a probability peak finding method based on a hierarchical analysis of the energy barriers in the Poland-Scheraga model. Conclusions: Exact and fast computation of genomic stitch profiles is thus feasible. Sequences of several megabases have been computed, only limited by computer memory. Possible applications are the genome-wide comparisons of bubbles with promotors, TSS, viral integration sites, and other melting-related regions.Comment: 16 pages, 10 figure

Bilayered ceramic anterior restorations with reinforcement of the incisal edge by using lithium disilicate:A multicenter retrospective survival analysis with a maximum of 6-year follow-up

STATEMENT OF PROBLEM: The esthetics of anterior lithium disilicate restorations can be enhanced if the buccal aspect is layered with a feldspathic ceramic. However, whether fractures and chipping of this layer are a prevalent complication is unclear.PURPOSE: The purpose of this retrospective study was to evaluate the incidence of incisal fracture of a specially designed lithium disilicate reinforcement of the incisal edge for indirect anterior bilayered restorations on both teeth and implants.MATERIAL AND METHODS: A total of 924 anterior bilayered pressed lithium disilicate restorations in 324 patients and made in one dental laboratory were delivered by 4 restorative dentists. The restorations had the palatal side of the incisal edge in monolithic lithium disilicate and the facial side in feldspathic porcelain. The restorations were evaluated for survival and the occurrence of fracture or chipping. Survival analyses were performed by using the Kaplan-Meier and log rank (Mantel-Cox) tests (α=.05).RESULTS: Of the 924 restorations, 798 (236 complete crowns, 562 partial restorations) were placed on teeth and 126 on implants. The mean observation time was 38 months (3 to 72 months). The survival rate was 96.5%, with 14 failures occurring. The failures were fracture after dental trauma (n=5), ceramic fracture (n=1), debonding (n=6), poor shade match (n=1), and tooth loss (n=2). Restorations in patients with parafunctional habits and endodontically treated teeth showed a significant decrease in survival rate (P=.018). No significant differences were found between the survival of restorations on teeth and implants and between complete crowns and partial restorations (P=.021). No chipping was observed on any restorations in the study.CONCLUSIONS: Modified anterior bilayered ceramic restorations showed good survival rates, and no chipping was observed up to 6 years of follow-up. Parafunctional habits and endodontic treatment had a negative effect on the survival rate of restorations. The support of tooth or implant and the restoration type had no effect on the survival.</p