Chemoenzymatic Asymmetric Synthesis of Pyridine-Based α-Fluorinated Secondary Alcohols

Fluoro-substituted and heteroaromatic compounds are valuable intermediates for a variety of applications in pharma- and agrochemistry and synthetic chemistry. This study investigates the chemoenzymatic preparation of chiral alcohols bearing a heteroaromatic ring with an increasing degree of fluorination in α-position. Starting from readily available picoline derivatives prochiral α-halogenated acyl moieties were introduced with excellent selectivity and 64–95 % yield. The formed carbonyl group was subsequently reduced to the corresponding alcohols using the alcohol dehydrogenase from Lactobacillus kefir, yielding an enantiomeric excess of 95–>99 % and up to 98 % yield.     

The beginning of immigrant settlement in the Helsinki metropolitan area and the role of social housing

Finland has experienced a rapid increase inimmigration since the beginning of the 1990s.Almost half of the foreign population isconcentrated in the metropolitan area of thecapital, Helsinki. The development andexplanations of their settlement patterns havenot yet been thoroughly studied. It ishypothesised in this study that social housingcan explain the settlement patterns. Indices ofdissimilarity were calculated to study thelevel and development of spatial segregation ofimmigrant groups in the Helsinki metropolitanarea in 1995–99, and the association betweenthe settlement patterns of immigrants andsocial housing was studied by regressionanalysis. Neighbourhood-level data were used.The results indicate that the Helsinkimetropolitan area has avoided extreme ethnicsegregation so far and that segregation isdecreasing. Especially immigrants from poorcountries are clearly associated with socialhousing in their settlement patterns, evenafter adjustment for socio-economic anddemographic differentiation. Also newconstruction of social housing seems to haveaffected the spatial distribution of thisgroup. Despite this dependence, the group isnot extremely segregated, which is probablybecause the social housing sector is nottotally marginalised.     

Applications of the discrete element method in mechanical engineering

Compared to other fields of engineering, in mechanical engineering, the Discrete Element Method (DEM) is not yet a well known method. Nevertheless, there is a variety of simulation problems where the method has obvious advantages due to its meshless nature. For problems where several free bodies can collide and break after having been largely deformed, the DEM is the method of choice. Neighborhood search and collision detection between bodies as well as the separation of large solids into smaller particles are naturally incorporated in the method. The main DEM algorithm consists of a relatively simple loop that basically contains the three substeps contact detection, force computation and integration. However, there exists a large variety of different algorithms to choose the substeps to compose the optimal method for a given problem. In this contribution, we describe the dynamics of particle systems together with appropriate numerical integration schemes and give an overview over different types of particle interactions that can be composed to adapt the method to fit to a given simulation problem. Surface triangulations are used to model complicated, non-convex bodies in contact with particle systems. The capabilities of the method are finally demonstrated by means of application examples. Commemorative Contribution.     

Finnish general contracting in the USSR

When dealing with a Soviet client, tendering, scheduling, consideration of available resources, management responsibilities, start-up and hand-over must be approached from a slightly different angle than when dealing with Western clients. Aspects of project management from feasibility analysis to hand-over are described, based on the experience of a Finnish general contractor, Finn Stroi.     

Danckwerts’ law for mean residence time revisited

This paper shows that Danckwerts’ law for mean residence time in a vessel with continuous and steady throughflow holds for a stochastic model based on a Markov chain for the particle spatial position, under a set of three very general conditions on the transfer probabilities. These are natural conditions and represent mass balance conditions on the transfer between spatial regions in the process. It is shown that a stochastic model for particle residence time distribution with these three conditions may describe almost any physical flow configuration, and also covers published mathematical RTD models, independent of their mathematical form or the nature of the associated boundary conditions, models for which Danckwert's law has hitherto been shown to be satisfied on a case-by-case basis. Two examples, namely those birth-death Markov chains and fluidized bed models are discussed.     

Suboptimal Exposure to Facial Expressions When Viewing Video Messages From a Small Screen: Effects on Emotion, Attention, and Memory.

The authors examined the effects of suboptimally presented facial expressions on emotional and attentional responses and memory among 39 young adults viewing video (business news) messages from a small screen. Facial electromyography (EMG) and respiratory sinus arrhythmia were used as physiological measures of emotion and attention, respectively. Several congruency priming effects were found. In particular, happy facial primes prompted increased (a) pleasure ratings, (b) orbicularis oculi EMG activity, (c) perceived trustworthiness, and (d) recognition memory for video messages with a positive emotional tone. Emotional and other responses to video messages presented on a small screen can be modified with suboptimal affective primes, but even small differences in the emotional tone of the messages should be allowed for. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Efficient prolog programming

This paper presents some basic programming strategies for Prolog programmers. The strategies are based on knowledge about the operational behaviour of the Warren Abstract Machine (WAM). The aim is to provide simple principles for making programs both faster and less space-consuming. The programming hints given are mostly local, i.e. only a single clause or procedure need be considered at a time.     

Feasibility of the indirect determination of blast-induced rock movement based on three new hybrid intelligent models

Engineering with Computers - The indirect and accurate determination of blast-induced rock movement has important significance in the reduction of ore loss and dilution and in the protection of...     

Continuous Levels‐of‐Detail and Visual Abstraction for Seamless Molecular Visualization

Molecular visualization is often challenged with rendering of large molecular structures in real time. We introduce a novel approach that enables us to show even large protein complexes. Our method is based on the level‐of‐detail concept, where we exploit three different abstractions combined in one visualization. Firstly, molecular surface abstraction exploits three different surfaces, solvent‐excluded surface (SES), Gaussian kernels and van der Waals spheres, combined as one surface by linear interpolation. Secondly, we introduce three shading abstraction levels and a method for creating seamless transitions between these representations. The SES representation with full shading and added contours stands in focus while on the other side a sphere representation of a cluster of atoms with constant shading and without contours provide the context. Thirdly, we propose a hierarchical abstraction based on a set of clusters formed on molecular atoms. All three abstraction models are driven by one importance function classifying the scene into the near‐, mid‐ and far‐field. Moreover, we introduce a methodology to render the entire molecule directly using the A‐buffer technique, which further improves the performance. The rendering performance is evaluated on series of molecules of varying atom counts.