Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles

Author(s):  
Philippe Ghosez ◽  
Javier Junquera

Taking a historical perspective, we provide a brief overview of the first-principles modeling of ferroelectric perovskite oxides over the past 30 years. We emphasize how the work done by a relatively small community on the fundamental understanding of ferroelectricity and related phenomena has been at the origin of consecutive theoretical breakthroughs, with an impact going often well beyond the limit of the ferroelectric community. In this context, we first review key theoretical advances such as the modern theory of polarization, the computation of functional properties as energy derivatives, the explicit treatment of finite fields, or the advent of second-principles methods to extend the length and timescale of the simulations. We then discuss how these have revolutionized our understanding of ferroelectricity and related phenomena in this technologically important class of compounds. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

2021 ◽  
Vol 72 (1) ◽  
Author(s):  
Ryan J. Emenecker ◽  
Alex S. Holehouse ◽  
Lucia C. Strader

A surge in research focused on understanding the physical principles governing the formation, properties, and function of membraneless compartments has occurred over the past decade. Compartments such as the nucleolus, stress granules, and nuclear speckles have been designated as biomolecular condensates to describe their shared property of spatially concentrating biomolecules. Although this research has historically been carried out in animal and fungal systems, recent work has begun to explore whether these same principles are relevant in plants. Effectively understanding and studying biomolecular condensates require interdisciplinary expertise that spans cell biology, biochemistry, and condensed matter physics and biophysics. As such, some involved concepts may be unfamiliar to any given individual. This review focuses on introducing concepts essential to the study of biomolecular condensates and phase separation for biologists seeking to carry out research in this area and further examines aspects of biomolecular condensates that are relevant to plant systems. Expected final online publication date for the Annual Review of Plant Biology, Volume 72 is May 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Paul A. McClarty

At sufficiently low temperatures, magnetic materials often enter correlated phases hosting collective, coherent magnetic excitations such as magnons or triplons. Drawing on the enormous progress on topological materials of the past few years, recent research has led to new insights into the geometry and topology of these magnetic excitations. Berry phases associated with magnetic dynamics can lead to observable consequences in heat and spin transport, whereas analogs of topological insulators and semimetals can arise within magnon band structures from natural magnetic couplings. Magnetic excitations offer a platform to explore the interplay of magnetic symmetries and topology, to drive topological transitions using magnetic fields; examine the effects of interactions on topological bands; and generate topologically protected spin currents at interfaces. In this review, we survey progress on all these topics, highlighting aspects of topological matter that are unique to magnon systems and the avenues yet to be fully investigated. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Subhadip Ghosh ◽  
Ambika Somasundar ◽  
Ayusman Sen

Nature has designed multifaceted cellular structures to support life. Cells contain a vast array of enzymes that collectively perform essential tasks by harnessing energy from chemical reactions. Despite the complexity, intra- and intercellular motility at low Reynolds numbers remain the epicenter of life. In the past decade, detailed investigations on enzymes that are freely dispersed in solution have revealed concentration-dependent enhanced diffusion and chemotactic behavior during catalysis. Theoretical calculations and simulations have determined the magnitude of the impulsive force per turnover; however, an unequivocal consensus regarding the mechanism of enhanced diffusion has not been reached. Furthermore, this mechanical force can be transferred from the active enzymes to inert particles or surrounding fluid, thereby providing a platform for the design of biomimetic systems. Understanding the factors governing enzyme motion would help us to understand organization principles for dissipative self-assembly and the fabrication of molecular machines. The purpose of this article is to review the different classes of enzyme motility and discuss the possible mechanisms as gleaned from experimental observations and theoretical modeling. Finally, we focus on the relevance of enzyme motion in biology and its role in future applications. Expected final online publication date for the Annual Review of Condensed Matter Physics, Volume 12 is March 10, 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


2021 ◽  
Vol 50 (1) ◽  
Author(s):  
Andrew K. Scherer

The mid-1990s through the first decade of the new millennium marked an increase in publications pertaining to war and violence in the ancient past. This review considers how scholars of the past decade have responded to that work. The emerging consensus is that war and violence were endemic to all societies studied by archaeologists, and yet the frequency, intensity, causes, and consequences of violence were highly variable for reasons that defy simplistic explanation. The general trend has been toward archaeologies of war and violence that focus on understanding the nuances of particular places and historical moments. Nevertheless, archaeologists continue to grapple with grand narratives of war, such as the proposition that violence has decreased from ancient to modern times and the role of war and violence in state formation and collapse. Recent research also draws attention to a more expansive definition of violence. Expected final online publication date for the Annual Review of Anthropology, Volume 50 is October 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
William R. Aimutis

Our global population is growing at a pace to exceed 10 billion people by the year 2050. This growth will place pressure on the agricultural production of food to feed the hungry masses. One category that will be strained is protein. Per capita protein consumption is rising in virtually every country for both nutritional reasons and consumption enjoyment. The United Nations estimates protein demand will double by 2050, and this will result in a critical overall protein shortage if drastic changes are not made in the years preceding these changes. Therefore, the world is in the midst of identifying technological breakthroughs to make protein more readily available and sustainable for future generations. One protein sourcing category that has grown in the past decade is plant-based proteins, which seem to fit criteria established by discerning consumers, including healthy, sustainable, ethical, and relatively inexpensive. Although demand for plant-based protein continues to increase, these proteins are challenging to utilize in novel food formulations. Expected final online publication date for the Annual Review of Food Science and Technology, Volume 13 is March 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Karen Robinson ◽  
John C. Atherton

Helicobacter pylori is the leading cause of peptic ulcer disease. The infection has been implicated in more than 75% of duodenal ulcer cases and 17% of gastric ulcer cases. H. pylori has been classified as a human carcinogen, since it is the main cause of distal gastric adenocarcinoma and B cell mucosa-associated lymphoid tissue lymphoma. Evidence also links H. pylori with extragastric conditions including iron deficiency anemia, idiopathic thrombocytopenic purpura, and vitamin B12 deficiency. Studies indicate that H. pylori may be protective against other conditions of the gastrointestinal tract (e.g., reflux esophagitis and related pathologies) and elsewhere in the body (e.g., asthma). The infection is asymptomatic in the vast majority of cases; more serious outcomes occur in only 10–15% of infected individuals. Despite extensive research over the past 3 decades, there is no effective vaccine, and the circumstances leading to disease development remain unclear. In addition, there is now a growing prevalence of antimicrobial resistance in H. pylori. This review discusses these important issues. Expected final online publication date for the Annual Review of Pathology: Mechanisms of Disease, Volume 16 is January 25, 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


2020 ◽  
Vol 83 (1) ◽  
Author(s):  
Elizabeth Murphy ◽  
Charles Steenbergen

Mitochondria are responsible for ATP production but are also known as regulators of cell death, and mitochondrial matrix Ca2+ is a key modulator of both ATP production and cell death. Although mitochondrial Ca2+ uptake and efflux have been studied for over 50 years, it is only in the past decade that the proteins responsible for mitochondrial Ca2+ uptake and efflux have been identified. The identification of the mitochondrial Ca2+ uniporter (MCU) led to an explosion of studies identifying regulators of the MCU. The levels of these regulators vary in a tissue- and disease-specific manner, providing new insight into how mitochondrial Ca2+ is regulated. This review focuses on the proteins responsible for mitochondrial transport and what we have learned from mouse studies with genetic alterations in these proteins. Expected final online publication date for the Annual Review of Physiology, Volume 83 is February 10, 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
Michelle K. Duffy ◽  
KiYoung Lee ◽  
Elizabeth A. Adair

In the past 20 years, there has been a growing interest in the phenomenon of workplace envy. This article provides an overarching review and analysis of the workplace envy literature. We first consider conceptual and measurement challenges facing envy researchers. We then review the current knowledge base in the research with a focus on synthesizing what we have learned regarding workplace envy's transmutations, highlighting directions for future research. We explore two relatively understudied areas in the envy literature—antecedents of envy and the experience of being envied. We discuss methodologies used in the literature to study envy and outcomes and conclude with a focus on cross-cultural and practical implications. Expected final online publication date for the Annual Review of Organizational Psychology and Organizational Behavior, Volume 8 is January 21, 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


Author(s):  
John N. Constantino ◽  
Tony Charman ◽  
Emily Jones

A vast share of the population-attributable risk for autism relates to inherited polygenic risk. A growing number of studies in the past five years have indicated that inherited susceptibility may operate through a finite number of early developmental liabilities that, in various permutations and combinations, jointly predict familial recurrence of the convergent syndrome of social communication disability that defines the condition. Here, we synthesize this body of research to derive evidence for a novel developmental substructure for autism, which has profound implications for ongoing discovery efforts to elucidate its neurobiological causes, and to inform future clinical and biomarker studies, early interventions, and personalized approaches to therapy. Expected final online publication date for the Annual Review of Clinical Psychology, Volume 17 is May 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


2021 ◽  
Vol 73 (1) ◽  
Author(s):  
Dapeng Li ◽  
Gregory D. Sempowski ◽  
Kevin O. Saunders ◽  
Priyamvada Acharya ◽  
Barton F. Haynes

Prophylactic and therapeutic drugs are urgently needed to combat coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Over the past year, SARS-CoV-2 neutralizing antibodies have been developed for preventive or therapeutic uses. While neutralizing antibodies target the spike protein, their neutralization potency and breadth vary according to recognition epitopes. Several potent SARS-CoV-2 antibodies have shown degrees of success in preclinical or clinical trials, and the US Food and Drug Administration has issued emergency use authorization for two neutralizing antibody cocktails. Nevertheless, antibody therapy for SARS-CoV-2 still faces potential challenges, including emerging viral variants of concern that have antibody-escape mutations and the potential for antibody-mediated enhancement of infection or inflammation. This review summarizes representative SARS-CoV-2 neutralizing antibodies that have been reported and discusses prospects and challenges for the development of the next generation of COVID-19 preventive or therapeutic antibodies. Expected final online publication date for the Annual Review of Medicine, Volume 73 is January 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


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