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

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

Case Report: Load, Intensity, and Performance Characteristics in Multiple Grand Tours

Introduction The aim of this study was to present the load, intensity, and performance characteristics of a general classification (GC) contender during multiple grand tours (GTs). This study also investigated which factors influence climbing performance. Methods Power output (PO) data were collected from a GC contender from the Vuelta a España 2015, the Giro d'Italia 2017, the Giro d'Italia 2018, and the Tour de France 2018. Load (e.g., Training Stress Score and kJ spent) and intensity in five PO zones were quantified. One-way ANOVA was used to identify differences between the GTs. Furthermore, performance during the four GTs was quantified based on maximal mean PO (W·kg-1) over different durations and by the relative PO (W·kg-1) on the key mountains in the GTs. Stepwise multiple regression analysis was used to identify which factors influence relative PO on the key mountains. Results No significant differences were found between load and intensity characteristics between the four GTs, with the exception that during the Giro d'Italia 2018, a significantly lower absolute time was spent in PO zone 5 (P = 0.005) compared with the other three GTs. The average relative PO on the key mountains (n = 33) was 5.9 ± 0.6 W·kg-1 and was negatively influenced by the duration of the climb and the total elevation gain before the key mountain, whereas the gradient of the mountain had a positive effect on relative PO. Conclusions The physiological load imposed on a GC contender did not differ between multiple GTs. Climbing performance was influenced by short-term fatigue induced by previous altitude meters in the stage and the duration and gradient of the mountain