Predicting chemical reaction outcomes: A grammar ontology-based transformer framework

Discovering and designing novel materials is a challenging problem as it often requires searching through a combinatorially large space of potential candidates, typically requiring great amounts of effort, time, expertise, and money. The ability to predict reaction outcomes without performing extensive experiments is, therefore, important. Toward that goal, we report an approach that uses context-free grammar-based representations of molecules in a neural machine translation framework. This involves discovering the transformations from the source sequence (comprising the reactants and agents) to the target sequence (comprising the major product) in the reaction. The grammar ontology-based representation hierarchically incorporates rich molecular-structure information, ensures syntactic validity of predictions, and overcomes over-parameterization in complex machine learning architectures. We achieve an accuracy of 80.1% (86.3% top-2 accuracy) and 99% syntactic validity of predictions on a standard reaction dataset. Moreover, our model is characterized by only a fraction of the number of training parameters used in other similar works in this area.     

Comparison of high protein and high fiber weight-loss diets in women with risk factors for the metabolic syndrome: a randomized trial

Background  

Studies have suggested that moderately high protein diets may be more appropriate than conventional low-fat high carbohydrate diets for individuals at risk of developing the metabolic syndrome and type 2 diabetes. However in most such studies sources of dietary carbohydrate may not have been appropriate and protein intakes may have been excessively high. Thus, in a proof-of-concept study we compared two relatively low-fat weight loss diets - one high in protein and the other high in fiber-rich, minimally processed cereals and legumes - to determine whether a relatively high protein diet has the potential to confer greater benefits.     

Neuroprotective Strategies after Neonatal Hypoxic Ischemic Encephalopathy

Neonatal hypoxic ischemic encephalopathy (HIE) is a devastating disease that primarily causes neuronal and white matter injury and is among the leading cause of death among infants. Currently there are no well-established treatments; thus, it is important to understand the pathophysiology of the disease and elucidate complications that are creating a gap between basic science and clinical translation. In the development of neuroprotective strategies and translation of experimental results in HIE, there are many limitations and challenges to master based on an appropriate study design, drug delivery properties, dosage, and use in neonates. We will identify understudied targets after HIE, as well as neuroprotective molecules that bring hope to future treatments such as melatonin, topiramate, xenon, interferon-beta, stem cell transplantation. This review will also discuss some of the most recent trials being conducted in the clinical setting and evaluate what directions are needed in the future.     

Spontaneous patterning and nanoparticle encapsulation in carboxymethylcellulose/alginate/dextran hydrogels and sponges

Novel polysaccharide sponges containing a network of capillaries and pore structures have been prepared by freeze drying of Ca²⁺ ion cross-linked sodium carboxymethylcellulose/sodium alginate hydrogels with or without addition of dextran. The iontropic gels consisted of capillaries, 5 to 40 µm in width, which comprised small pores, 1–25 µm in size. Gold, Fe₃O₄ or TiO₂ nanoparticles were encapsulated in the patterned gels and the mechanical strength of the resulting sponges investigated.     

Negative self-synchronization: Will I change to be like you when it is bad for me?

The current research examined whether people will attempt to modify internal aspects of the self to make them congruent with others, even when those modifications have negative implications for the self, a phenomenon we refer to as negative self-synchronization. We proposed that negative self-synchronization will occur only for individuals who are securely attached. Across 4 experiments, participants who were high in secure attachment were more likely than those low in attachment security to engage in negative self-synchronization (Experiments 1–4). Attachment style did not moderate positive self-synchronization (Experiments 1 and 2). In addition, priming secure attachment increased negative self-synchronization among insecure participants (Experiments 2 and 3). Conversely, priming insecure attachment decreased negative self-synchronization among secure participants (Experiment 4). Implications of these findings for social synchronization processes, the need to belong, and attachment security are discussed. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Correction to Batten et al (2009).

Reports an error in Veteran interest in family involvement in PTSD treatment by Sonja V. Batten, Amy L. Drapalski, Melissa L. Decker, Jason C. DeViva, Lorie J. Morris, Mark A. Mann and Lisa B. Dixon (Psychological Services, 2009[Aug], Vol 6[3], 184-189). The copyright for the article was listed incorrectly. This article is in the Public Domain. The online version has been corrected. (The following abstract of the original article appeared in record 2009-12007-002.) The present study examined interest in family involvement in treatment and preferences concerning the focus of family oriented treatment for veterans (N = 114) participating in an outpatient Veterans Affairs outpatient posttraumatic stress disorder (PTSD) program. Most veterans viewed PTSD as a source of family stress (86%) and expressed interest in greater family involvement in their treatment (79%). These results suggest the need to consider increasing family participation in the clinical care of individuals with PTSD and to develop specialized family educational and support services for this population. (PsycINFO Database Record (c) 2010 APA, all rights reserved)