Efficiency analysis of reaction rate calculation methods using analytical models I: The 2D sharp barrier

We analyze the efficiency of different methods for the calculation of reaction rates in the case of two simple analytical benchmark systems. Two classes of methods are considered: the first are based on the free energy calculation along a reaction coordinate and the calculation of the transmission coefficient, the second on the sampling of dynamical pathways. We give scaling rules for how this efficiency depends on barrier height and width, and we hand out simple optimization rules for the method-specific parameters. We show that the path sampling methods, using the transition interface sampling technique, become exceedingly more efficient than the others when the reaction coordinate is not the optimal one.Comment: 22 pages, 5 figure

An Outline of the Bayesian Decision Theory

In this paper we give an outline on the Bayesian Decision Theory.Comment: arXiv admin note: text overlap with arXiv:1409.826

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

Criminaliteit en criminologie in een gedigitaliseerde wereld

__Abstract__ Wat betekent de komst van het internet voor criminaliteit en de bestrijding ervan? Dit themanummer staat stil bij deze belangrijke ontwikkeling in onze samenleving. In deze redactionele inleiding staan we allereerst stil bij de aan het internet gelieerde criminaliteit: cybercrime. Wat is het precies? Vervolgens richten we ons op de criminologische hoofdvragen die de opkomst van het internet met zich meebrengt. Ontstaat hierdoor meer criminaliteit? Wie zijn de betrokkenen? Wat doen we ertegen? Verder staan we stil bij de mogelijkheden voor het doen van criminologisch onderzoek met onlinemateriaal, zoals onlineobservatie en Big Data. Tot slot geven we een schets van de manier waarop hoogwaardige ICT behulpzaam kan zijn in de opsporing van criminaliteit. Al met al kunnen we spreken van een jong aandachtsveld binnen de criminologie waar tal van interessante onderzoeksthema’s vragen om een verdere uitwerking

Toezicht en compliance

Two contradictory developments characterize modern corporate regulation. On the one hand, the demand for public supervision and control is ever increasing. New supervisory authorities are founded and existing agencies are assigned more power. On the other hand, corporations should be trusted for their abilities to regulate themselves and monitor their compliance status through i