A novel parameterization scheme for energy equations and its use to calculate the structure of protein molecules

A novel scheme for the parameterization of a type of “potential energy” function for protein molecules is introduced. The function is parameterized based on the known conformations of previously determined protein structures and their sequence similarity to a molecule whose conformation is to be calculated. Once parameterized, minima of the potential energy function can be located using a version of simulated annealing which has been previously shown to locate global and near-global minima with the given functional form. As a test problem, the potential was parameterized based on the known structures of the rubredoxins from Desulfovibrio vulgaris, Desulfovibrio desulfuricans, and Clostridium pasteurianum, which vary from 45 to 54 amino acids in length, and the sequence alignments of these molecules with the rubredoxin sequence from Desulfovibrio gigas . Since the Desulfovibrio gigas rubredeoxin conformation has also been determined, it is possible to check the accuracy of the results. Ten simulated-annealing runs from random starting conformations were performed. Seven of the 10 resultant conformations have an all-C Α rms deviation from the crystallographically determined conformation of less than 1.7 Å. For five of the structures, the rms deviation is less than 0.8 Å. Four of the structures have conformations which are virtually identical to each other except for the position of the carboxy-terminal residue. This is also the conformation which is achieved if the determined crystal structure is minimized with the same potential. The all-C Α rms difference between the crystal and minimized crystal structures is 0.6 Å. It is further observed that the “energies” of the structures according to the potential function exhibit a strong correlation with rms deviation from the native structure. The conformations of the individual model structures and the computational aspects of the modeling procedure are discussed. © 1993 Wiley-Liss, Inc.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/38519/1/340150208_ftp.pd

Lie detection and children: Impact of the mode of presentation

Although a great deal of research has examined lie-detection among adults, little research has examined the differences between audio and visual mediums for deception among children. In the current study participants were presented (n = 42) with recordings of four children, each describing his/her experience of getting glasses. Two of the accounts were truthful, two were fabricated. Half of the participants were presented with videos, half were presented with audio-recordings. Following the presentation of each recording, participants responded to questions regarding the truthfulness of each child’s account. Results showed that when evaluating truth-tellers, participants’ lie-detection accuracy was significantly greater than chance. Within the video condition, non-parents were shown to report significantly more lie-related cues than parents. Several deception cues were shown to be related to lie-detection accuracy

Resolving Anger toward God: Lament as an Avenue toward Attachment

Psychologists have mostly overlooked the topic of anger toward God. The current study tested an intervention based on the biblical psalms of lament, a consisting of 20 devotional readings and weekly experiential assignments, delivered electronically over a four-week period. A total of 192 college students at Christian institutions across the United States completed the study, and were randomly assigned to the experimental condition, an attention control condition, or a no-contact condition. The expected findings--that the experimental intervention would cause decreased feelings of anger and complaint toward God, as well as increased intimacy with God over time--were not confirmed. However, those participants who reported maximum compliance with the intervention showed increased ratings on Communion with God. Implications are discussed

What American Psychological Association Leaders Have to Say About Psychology of Religion and Spirituality

What do American Psychological Association (APA) leaders have to say about the new journal Psychology of Religion and Spirituality? A survey was sent to 204 current APA council representatives and divisional residents, yielding 63 completed questionnaires (31% response rate). Respondents generally affirmed the importance of religion and spirituality as topics of inquiry in psychology. Although not highly religious themselves, respondents recognize religion and spirituality as important aspects of human diversity. In considering the new journal, current APA leaders who responded to the survey are particularly interested in articles relating religion and spirituality to health and coping and articles considering cross-cultural and interfaith issues

Talk CPR - a technology project to improve communication in do not attempt cardiopulmonary resuscitation decisions in palliative illness

Background A national Do Not Attempt Cardiopulmonary Resuscitation policy was rolled out for the National Health Service in Wales in 2015. A national steering group led on producing information videos and a website for patients, carers and healthcare professionals, forming part of a quality improvement program. Videos were planned, scripted and produced with healthcare professionals and patient/carer representatives, and were completed with both English and Welsh language versions. The TalkCPR videos encourage and promote open discussion about Cardiopulmonary Resuscitation (CPR) and DNACPR in palliative care situations. Methods We worked with patient/carer groups to evaluate whether video resources to convey the salient facts involved in CPR and DNACPR decisions for people with palliative and life-limiting illness were acceptable or not. We conducted a mixed-method design service review in five phases to evaluate whether this technological resource could help. After creating video and website materials, they were evaluated by doctors, nurses and a patient/carer group. We also sent out one lightweight TalkCPR video media pad to each practice in Wales. These rechargeable electronic video media pads had communication videos pre-loaded for easy viewing, especially in areas with poor roaming data coverage. Results Videos were demonstrably acceptable to both patient and carer groups, and improved healthcare professional confidence and understanding. Videos went live on the TalkCPR website, in all Welsh Health Boards and on Youtube, and are now used in routine practice throughout Wales. Conclusion This is the first time that DNACPR information videos are aimed directly at palliative care patients and carers, to explore this sensitive subject with them, and to encourage them to approach their doctor or nurse about it. The website, app and video media pads were developed by patients, the Digital Legacy Association, Welsh NHS IT services, Welsh Government, the Bevan Commission and the Dying Matters Charity in Wales ‘Byw Nawr’. The GMC, the Royal College of General Practitioners and NICE have listed TalkCPR as a learning resource. There has also been a collaboration with Falmouth University Art College, who helped produce graphic designs to facilitate and encourage discussions about CPR and end of life care

AUSTRALASIAN CLIMATE DATA BANK PROJECTS

ABSTRACT The key aims of the ACDB project in 2006 included updating the ACDB data set using post-1986 data in addition to the earlier weather data, and expanding the number of climate zones for second generation NatHERS tools (first generation having only 28 climates). Each of 69 locations now has a Reference Meteorological Year (RMY) being a composite of 12 typical meteorological months of best fit for a range of weather elements. This is an advancement on the previously used Test Reference Year (TRY), or actual year of best fit. In the case of non-NatHERS ACDB sites, the TRY was the year of best fit for dry bulb temperature only (ACADS, 1993). This paper describes the further enhancements to the quality, geographic spread (including intra-metropolitan differentiation) and response to perceived climate change trends as applied in energy system design and evaluation, including low energy buildings in Australia. It also describes parallel work in New Zealand, and the potential for collaboration for ongoing improvement and compatibility, as well as the scope for replication throughout the region

An Effective Field Theory Calculation of the Parity Violating Asymmetry in n+p -> d+gamma

Weak interactions are expected to induce a parity violating pion-nucleon coupling, h_{\pi NN}^{(1)}. This coupling should be measurable in a proposed experiment to study the parity violating asymmetry A_\gamma in the process \vec n + p \to d+\gamma. We compute the leading dependence of A_\gamma on the coupling h_{\pi NN}^{(1)} using recently developed effective field theory techniques and find an asymmetry of A_\gamma = +0.17 h_{\pi NN}^{(1)} at leading order. This asymmetry has the opposite sign to that given by Desplanques, Donoghue and Holstein.Comment: 7 pages, 2 figures from 3 eps files, late

A new method for building protein conformations from sequence alignments with homologues of known structure

We describe a largely automatic procedure for building protein structures from sequence alignments with homologues of known structure. This procedure uses simple rules by which multiple sequence alignments can be translated into distance and chirality constraints, which are then used as input for distance geometry calculations. By this means one obtains an ensemble of conformations for the unknown structure that are compatible with the rules employed, and the differences among these conformations provide an indication of the reliability of the structure prediction. The overall approach is demonstrated here by applying it to several Kazal-type trypsin inhibitors, for which experimentally determined structures are available. On the basis of our experience with these test problems, we have further predicted the conformation of the human pancreatic secretory trypsin inhibitor, for which no experimentally determined structure is presently available.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/29506/1/0000593.pd

Of “raisins” and “yeast”: mobilisation and framing in the East German revolution of 1989

There is no shortage of literature on the social movements that arose in East Germany in 1989. Numerous studies have shed light upon the nature, scale and dynamics of the uprising of that year. But on certain issues questions remain. No consensus exists, for example, on the relationship between the “civic groups” (New Forum, Democratic Awakening, etc.) and the street protests of the autumn of 1989. Were these simply two facets of a single movement? Or are they better characterised as two distinct streams within the same movement delta? Did the street protests push the civic movement activists into the limelight? Or is it more accurate to say, with Reinfried Musch, that “the civic movement brought the people onto the streets”?1 This paper considers two contrasting interpretations of these issues, and finds both wanting. An alternative interpretation is offered, one that draws upon Marc Steinberg's “dialogical” development of frame theory