scholarly journals Modelling covalent linkages in CCP4

2021 ◽  
Vol 77 (6) ◽  
Author(s):  
Robert A. Nicholls ◽  
Robbie P. Joosten ◽  
Fei Long ◽  
Marcin Wojdyr ◽  
Andrey Lebedev ◽  
...  
Keyword(s):  
Structural Models ◽  
Relevant Information ◽  
Correct Treatment ◽  
Covalent Linkage ◽  
Graphical Editor ◽  
Macromolecular Complexes

In this contribution, the current protocols for modelling covalent linkages within the CCP4 suite are considered. The mechanism used for modelling covalent linkages is reviewed: the use of dictionaries for describing changes to stereochemistry as a result of the covalent linkage and the application of link-annotation records to structural models to ensure the correct treatment of individual instances of covalent linkages. Previously, linkage descriptions were lacking in quality compared with those of contemporary component dictionaries. Consequently, AceDRG has been adapted for the generation of link dictionaries of the same quality as for individual components. The approach adopted by AceDRG for the generation of link dictionaries is outlined, which includes associated modifications to the linked components. A number of tools to facilitate the practical modelling of covalent linkages available within the CCP4 suite are described, including a new restraint-dictionary accumulator, the Make Covalent Link tool and AceDRG interface in Coot, the 3D graphical editor JLigand and the mechanisms for dealing with covalent linkages in the CCP4i2 and CCP4 Cloud environments. These integrated solutions streamline and ease the covalent-linkage modelling workflow, seamlessly transferring relevant information between programs. Current recommended practice is elucidated by means of instructive practical examples. By summarizing the different approaches to modelling linkages that are available within the CCP4 suite, limitations and potential pitfalls that may be encountered are highlighted in order to raise awareness, with the intention of improving the quality of future modelled covalent linkages in macromolecular complexes.

Semi-automated methods for 3-D reconstruction of macromolecular complexes

1995 ◽  
Vol 53 ◽  
pp. 42-43
Author(s):  
B. Carragher ◽  
M. Whittaker
Keyword(s):  
Three Dimensional ◽  
Time Saving ◽  
Macromolecular Complexes ◽  
Symmetry Properties ◽  
Dimensional Reconstruction ◽  
Experienced Operator ◽  
Projection Images ◽  
The Individual ◽  
Natural Symmetry

Techniques for three-dimensional reconstruction of macromolecular complexes from electron micrographs have been successfully used for many years. These include methods which take advantage of the natural symmetry properties of the structure (for example helical or icosahedral) as well as those that use single axis or other tilting geometries to reconstruct from a set of projection images. These techniques have traditionally relied on a very experienced operator to manually perform the often numerous and time consuming steps required to obtain the final reconstruction. While the guidance and oversight of an experienced and critical operator will always be an essential component of these techniques, recent advances in computer technology, microprocessor controlled microscopes and the availability of high quality CCD cameras have provided the means to automate many of the individual steps.During the acquisition of data automation provides benefits not only in terms of convenience and time saving but also in circumstances where manual procedures limit the quality of the final reconstruction.

Investigating the Ease-of-Retrieval Effect in an Eyewitness Context

2019 ◽  
Author(s):  
Roy Groncki ◽  
Jennifer L Beaudry ◽  
James D. Sauer
Keyword(s):  
Cognitive Processes ◽  
Task Difficulty ◽  
Memory Studies ◽  
Relevant Information ◽  
Perceived Quality ◽  
Expected Effect ◽  
Bayesian Testing ◽  
Finding Study ◽  
Identification Confidence

The way in which individuals think about their own cognitive processes plays an important role in various domains. When eyewitnesses assess their confidence in identification decisions, they could be influenced by how easily relevant information comes to mind. This ease-of-retrieval effect has a robust influence on people’s cognitions in a variety of contexts (e.g., attitudes), but it has not yet been applied to eyewitness decisions. In three studies, we explored whether the ease with which eyewitnesses recall certain memorial information influenced their identification confidence assessments and related testimony-relevant judgements (e.g., perceived quality of view). We manipulated the number of reasons participants gave to justify their identification (Study 1; N = 343), and also the number of instances they provided of a weak or strong memory (Studies 2a & 2b; Ns = 350 & 312, respectively). Across the three studies, ease-of-retrieval did not affect eyewitnesses’ confidence or other testimony-relevant judgements. We then tried—and failed—to replicate Schwarz et al.’s (1991) original ease-of-retrieval finding (Study 3; N = 661). In three of the four studies, ease-of-retrieval had the expected effect on participants’ perceived task difficulty; however, frequentist and Bayesian testing showed no evidence for an effect on confidence or assertiveness ratings.

Managing an Enterprise and Ethical Dilemmas in Accountancy

2014 ◽  
Vol 9 (2) ◽  
pp. 141-151
Author(s):  
Jolanta Wiśniewska
Keyword(s):  
High Risk ◽  
Ethical Dilemmas ◽  
Business Management ◽  
Relevant Information ◽  
Necessary Condition ◽  
Accounting System ◽  
Quality Of Information ◽  
Economic Entity ◽  
A Company

The purpose of this article is to present the correlation between management of an economic entity and the development of ethical accounting dilemmas in the era of high-risk business. In the globalisation era and recurring economic crises, realisation of the objectives of a company takes place under high risk conditions. It is therefore necessary to use a proper management system. The necessary condition for making all decisions is to have relevant information. The value and relevance of these decisions depend on the quality of information which they have been based on. Lack of ethics in accounting has a direct impact on the company's management, which is based on information generated by the accounting system of the company. Ethical dilemmas arising in accounting are also ethical dilemmas arising in the process of business management. 

Would you be more satisfied with your life if you travel more frequently?

2020 ◽  
Author(s):  
Chun-Chu Chen ◽  
Sui-Wen (Sharon) Zou ◽  
James F. Petrick
Keyword(s):  
Quality Of Life ◽  
Relevant Information ◽  
Life Domain ◽  
Travel And Tourism ◽  
Study Results ◽  
Personal Importance

This research intends to examine whether frequent travelers are more satisfied with their life as well as why these individuals travel more frequently than others. Derived from a sample of 500 Taiwanese respondents, the study results show that respondents attaching personal importance to tourism are more likely to gather travel-relevant information, resulting in more frequent travels. It is also found that frequent travelers are more satisfied with their life. These findings suggest that travel and tourism can be an important life domain affecting how people evaluate their overall quality of life.

The transformation of the Russian notary in the new economic realities

2020 ◽  
Vol 22 (1) ◽  
pp. 92-97
Author(s):  
KONSTANTIN A. KORSIK ◽  
◽  
ANASTASIYA A. PARFENCHIKOVA ◽  
Keyword(s):  
Public Administration ◽  
Relevant Information ◽  
The State ◽  
Technological Infrastructure ◽  
Social Sphere ◽  
The Social ◽  
Modern Economic ◽  
World Development

The article is devoted to the review of current changes in the legislation on notaries related to the development of electronic civil circulation, analysis of existing digital risks and assessment of the role of notaries in combating them. In modern economic realities, a significant expansion of the sphere of competence of the notary is carried out by introducing completely new notarial actions into the scope of the notary’s terms of reference. At the same time, the notary does not just follow the general ‘digital’ trend, but independently makes significant efforts to effectively perform the tasks of the social sphere regulator assigned to it by the state. The creation of the Unified Notary Information System as part of the formation of the technological infrastructure to ensure the security and stability of legal relations in the context of electronic civil circulation takes to a new level the quality of notarial services and the security of legally relevant information. The role of notaries significantly increases in conditions when the use of digital technologies in the economy, public administration, social sphere becomes one of the main vectors of world development, and society and the state inevitably face the flip side of this process – digital risks that jeopardize the safety of participants in civil turnover and their property. In 2020, as part of the implementation of the national program ‘Digital Economy’, it is planned to introduce a number of innovations that will create the basis for a stable and secure ‘digital’ turnover.

scholarly journals Clinical differentiation of psychogenic non-epileptic seizure: a practical diagnostic approach

2021 ◽  
Vol 57 (1) ◽  
Author(s):  
I. Putu Eka Widyadharma ◽  
Andreas Soejitno ◽  
D. P. G. Purwa Samatra ◽  
Anna M. G. Sinardja
Keyword(s):  
Epileptic Seizure ◽  
Diagnostic Yield ◽  
Relevant Information ◽  
Seizure Semiology ◽  
Unstructured Search ◽  
Baseline Characteristics ◽  
Antiepileptic Medications ◽  
Eeg Pattern

Abstract Background Psychogenic non-epileptic seizure (PNES) has long been the counterpart of epileptic seizure (ES). Despite ample of evidence differentiating the two, PNES mistakenly diagnosed as ES was still common, resulting in unnecessary exposure to long-term antiepileptic medications and reduced patient’s and caregiver’s quality of life, not to mention the burgeoning financial costs. Objectives In this review, we aimed to elucidate various differences between PNES and epileptic seizure with respect to baseline characteristics, seizure semiology, EEG pattern, and other key hallmark features. Methods An unstructured search was carried out in PubMed, MEDLINE, and EMBASE using keywords pertinent to PNES and ES differentiation. Relevant information was subsequently summarized herein. Results PNES differs significantly with ES in terms of baseline characteristics, prodromal symptoms, seizure semiology, presence of pseudosleep, and other hallmark features (for instance provoking seizure with suggestion). The combined approach, if applied appropriately, can yield high diagnostic yield. Conclusions PNES can be clearly differentiated from ES via careful adherence to a set of valid clinical cues. The summarized clinical hallmarks is highly useful to prevent unnecessary ES diagnosis and treatment with AEDs.

scholarly journals Personality and Dementia: an Approach to Differential Profile of the Caregiver

2011 ◽  
Vol 1 (3) ◽  
pp. 85-94
Author(s):  
Elena de Andrés-Jiménez ◽  
Rosa Mª Limiñana-Gras ◽  
Encarna Fernández-Ros
Keyword(s):  
Relevant Information ◽  
Personality Profile ◽  
Family Carers ◽  
Psychological Variables ◽  
People With Dementia ◽  
The Family ◽  
Study Population ◽  
The One ◽  
The Impact

The aim of this study is to determine the existence of a characteristic personality profile of family carers of people with dementia. The correct knowledge and use of psychological variables which affect the carer, helps to promote appropriate actions to mitigate the impact of care and improve the carer’s quality of life and likewise the one of the person cared for. The study population consists of 69 family carers of people with dementia, members of various associations and care centers. The results allow us to identify a characteristic personality profile for these carers and it reveals a specific psychological working in this sample, although we cannot directly relate it with the tasks of caring for people with this disease, this profile gives us very relevant information to pay more attention to the needs of this group. Moreover, the analysis of personality styles depends on the sex of the family carer, showing, once again, that the woman is in a situation of most vulnerability.

Evaluation of the Quality, Educational Value and Utility of the Videos on YouTube for Laparoscopic Low Anterior Resection

2021 ◽  
pp. 000313482110111
Author(s):  
Erol Piskin ◽  
Muhammet Kadri Çolakoğlu ◽  
Ali Bal ◽  
Volkan Oter ◽  
Erdal Birol Bostanci
Keyword(s):  
Anterior Resection ◽  
Low Anterior Resection ◽  
Video Quality ◽  
Relevant Information ◽  
Teaching Quality ◽  
Educational Value ◽  
Laparoscopic Low Anterior Resection ◽  
Significant Difference ◽  
October 17

Background Minimally invasive surgery is a rising trend in colorectal surgery and is on its way to becoming the gold standard due to the benefits it provides for patients. This study aims to test the efficacy for educational purposes by evaluating the videos published on YouTube ( www.youtube.com ) channel for low anterior resection procedure in rectum surgery. Methods We searched YouTube on October 17, 2020 to choose video clips that included relevant information about laparoscopic low anterior resection (LAR) for rectal cancer. Results We included 25 academics and 75 individual videos in this study. The teaching quality of the videos was evaluated according to academic and individual videos, and it was seen that the teaching quality scores of academic videos were higher and this result was statistically significant ( P = .03). The modified Laparoscopic Surgery Video Educational Guidelines (LAP-VEGaS) criteria were found that the score was higher in individual videos ( P = .014). The median Video Power Index (VPI) value was 1.50 (range .05-347) and the mean ratio was 7.01 ± 3.52. There was no statistically significant difference between the 2 groups ( P = .443). Discussion Video-based surgical learning is an effective method for surgical education. Our study showed that the video quality and educational content of most of the videos about the low anterior resection procedure on YouTube were low. The videos of academic origin seem more valuable than individual videos. As far as video popularity is concerned, YouTube viewers are not selective. For this reason, training videos to be used for educational purposes must be passed through a standardized evaluation filter.

scholarly journals Modelling Exposure by Spraying Activities—Status and Future Needs

2021 ◽  
Vol 18 (15) ◽  
pp. 7737
Author(s):  
Stefan Hahn ◽  
Jessica Meyer ◽  
Michael Roitzsch ◽  
Christiaan Delmaar ◽  
Wolfgang Koch ◽  
...  
Keyword(s):  
Current Knowledge ◽  
Model Performance ◽  
Relevant Information ◽  
Systematic Evaluation ◽  
Model Accuracy ◽  
Efficient Manner ◽  
User Perspective ◽  
Model Predictions ◽  
Spray Applications

Spray applications enable a uniform distribution of substances on surfaces in a highly efficient manner, and thus can be found at workplaces as well as in consumer environments. A systematic literature review on modelling exposure by spraying activities has been conducted and status and further needs have been discussed with experts at a symposium. This review summarizes the current knowledge about models and their level of conservatism and accuracy. We found that extraction of relevant information on model performance for spraying from published studies and interpretation of model accuracy proved to be challenging, as the studies often accounted for only a small part of potential spray applications. To achieve a better quality of exposure estimates in the future, more systematic evaluation of models is beneficial, taking into account a representative variety of spray equipment and application patterns. Model predictions could be improved by more accurate consideration of variation in spray equipment. Inter-model harmonization with regard to spray input parameters and appropriate grouping of spray exposure situations is recommended. From a user perspective, a platform or database with information on different spraying equipment and techniques and agreed standard parameters for specific spraying scenarios from different regulations may be useful.

scholarly journals New Model for Measuring Job Quality: Developing an European Intrinsic Job Quality Index (EIJQI)

2021 ◽  
Author(s):  
María Cascales Mira
Keyword(s):  
Quality Index ◽  
Relevant Information ◽  
Job Quality ◽  
Quantitative Methodology ◽  
New Model ◽  
Measurement Models ◽  
European Working ◽  
European Working Conditions Survey ◽  
Indicator Systems

AbstractThis article deals with the development of a new model for measuring job quality based on the intrinsic components of work, an European Intrinsic Job Quality Index. The objective is measure job quality on the basis of the characteristics inherent to the labour activity itself, and not from its financial rewards. First, we review the existing literature on current measurement models and justify the need for an index of this nature. Secondly, we explain the fundamental methodological decisions adopted for the construction of the index, and present the descriptive model, the indicators that make up each dimension, and the empirical model. Finally, we present the index scores by European Union countries within the framework of institutional theories. In this work, we have used a quantitative methodology, based on social indicator systems, and it has been carried out mainly with data from the European Working Conditions Survey (2015). The fundamental contribution of this article is the construction of a new model for measuring the quality of work, robust, valid and reliable, which will allow us to monitor the intrinsic job quality of the member countries, and thus provide relevant information that contributes to the framework of public policies.

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