Search results for "mekanismit"
showing 10 items of 47 documents
Uusiutuva energia ja energiajärjestelmän konsensus : mekanisminen näkökulma liikenteen biopolttoaineiden ja syöttötariffin käyttöönottoon Suomessa
2014
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
2022
Various approaches have been proposed to include the effect of pH in molecular dynamics (MD) simulations. Among these, the λ-dynamics approach proposed by Brooks and co-workers [Kong, X.; Brooks III, C. L. J. Chem. Phys.1996, 105, 2414−2423] can be performed with little computational overhead and hfor each typeence be used to routinely perform MD simulations at microsecond time scales, as shown in the accompanying paper [Aho, N. et al. J. Chem. Theory Comput.2022, DOI: 10.1021/acs.jctc.2c00516]. At such time scales, however, the accuracy of the molecular mechanics force field and the parametrization becomes critical. Here, we address these issues and provide the community with guidelines on…
Detailed modeling of the kraft pulping chemistry : carbohydrate reactions
2020
The article introduces a detailed model for carbohydrate chemistry in kraft pulping. This article is continuation to the modeling work carried out for hot water extraction and chemical pulp bleaching. The model includes galactoglucomannan, xylan, and cellulose acid–base equilibria, in addition to peeling, stopping, and alkaline hydrolysis reactions of the same carbohydrates, as well as hexenuronic acid formation and degradation reactions. The Arrhenius parameters were applied from the literature or regressed against experimental data in the present study. The model is very successful in predicting the experimental data of carbohydrate reactions during kraft pulping. Many features of the pul…
How customer knowledge affects exploration : generating, guiding, and gatekeeping
2021
The importance of understanding customers in order to sustain the long-term success of the company has been claimed by academics and practitioners for decades, to the point that the claim has turned into a truism. And still, the role of customer knowledge in organizational renewal, especially via explorative new product development (NPD), remains ambiguous. While existing literature generally emphasizes the value of customer knowledge, critics argue that a strong customer focus can also de-motivate and misguide exploration. This study adds clarity to our understanding of this tension by drawing from an intensive analysis of the corporate archives of a rapidly growing high-tech company. The …
Verkkopohjaisen hyväksymis- ja omistautumisterapiaintervention muutosta välittävät mekanismit unettomuuden hoidossa
2016
Unettomuus eli nukahtamiseen tai nukkumiseen liittyvät vaikeudet on yleinen ilmiö, joka on yhteydessä moniin psyykkisiin ja fyysisiin ongelmiin. Hyväksymis- ja omistautumisterapia on arvoihin, tietoiseen läsnäoloon ja hyväksyntään keskittyvä psykoterapiamenetelmä, jota on hyödynnetty lupaavin tuloksin muun muassa masennuksen, kroonisen kivun ja tinnituksen hoidossa. Internetin yleistymisen myötä myös verkkointerventioita ja niiden hyödyntämistä käytännön terapiatyössä on kasvavissa määrin tutkittu. Hyväksymis- ja omistautumisterapiaverkkointerventioiden muutosta välittävistä tekijöistä on kuitenkin vielä varsin vähän tutkimustietoa. Tämän tutkimuksen tarkoituksena oli tarkastella verkkopohj…
Henkilökohtaisen informaation salaamisesta, paljastamisesta ja defenssimekanismeista
1997
Mukaiyama-Michael reactions with α-substituted acroleins - a useful tool for the synthesis of the pectenotoxins and other natural product targets
2013
7. luokalle siirtyminen oppilaiden kokemana
2002
Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix
2023
Ultraviolet-induced photodissociation and photo-isomerization of the three most stable conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid argon matrix using FTIR spectroscopy and employing laser radiation with wavelengths of 212 nm, 226 nm, and 230 nm. The present work broadens the wavelength range of photochemical studies of glycolic acid, thus extending the understanding of the overall photochemistry of the compound. The proposed kinetic model for the photodissociation of glycolic acid proceeds from the lowest energy conformer (SSC). The model suggests that ultraviolet light induces isomerization only between the SSC and GAC conformers and between …