Proceedings of the National Academy of Sciences This is an RSS file. You can use it to subscribe to this data in your favourite RSS reader or to display this data on your own website or blog.

Enhancing computational enzyme design by a maximum entropy strategy [Biophysics and Computational Biology]
Although computational enzyme design is of great importance, the advances utilizing physics-based approaches have been slow, and further progress is urgently needed. One promising direction is using machine learning, but such strategies have not been established as effective tools for predicting the catalytic power of enzymes. Here, we show that... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Wen Jun Xie, Mojgan Asadi, Arieh Warshel Tags: Biophysics and Computational Biology Biological Sciences Source Type: research

Functional network topography of the medial entorhinal cortex [Neuroscience]
The medial entorhinal cortex (MEC) creates a map of local space, based on the firing patterns of grid, head-direction (HD), border, and object-vector (OV) cells. How these cell types are organized anatomically is debated. In-depth analysis of this question requires collection of precise anatomical and activity data across large populations... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Horst A. Obenhaus, Weijian Zong, R. Irene Jacobsen, Tobias Rose, Flavio Donato, Liangyi Chen, Heping Cheng, Tobias Bonhoeffer, May-Britt Moser, Edvard I. Moser Tags: Inaugural Articles, Neuroscience Biological Sciences Source Type: research

A VDAC1-mediated NEET protein chain transfers [2Fe-2S] clusters between the mitochondria and the cytosol and impacts mitochondrial dynamics [Biophysics and Computational Biology]
Mitochondrial inner NEET (MiNT) and the outer mitochondrial membrane (OMM) mitoNEET (mNT) proteins belong to the NEET protein family. This family plays a key role in mitochondrial labile iron and reactive oxygen species (ROS) homeostasis. NEET proteins contain labile [2Fe-2S] clusters which can be transferred to apo-acceptor proteins. In eukaryotes,... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Ola Karmi, Henri–Baptiste Marȷault, Fang Bai, Susmita Roy, Yang–Sung Sohn, Merav Darash Yahana, Faruck Morcos, Konstantinos Ioannidis, Yaakov Nahmias, Patricia A. Jennings, Ron Mittler, Jose N. Onuchic, Rachel Nechushtai Tags: Physical Sciences Source Type: research

Munc13 structural transitions and oligomers that may choreograph successive stages in vesicle priming for neurotransmitter release [Biochemistry]
How can exactly six SNARE complexes be assembled under each synaptic vesicle? Here we report cryo-EM crystal structures of the core domain of Munc13, the key chaperone that initiates SNAREpin assembly. The functional core of Munc13, consisting of C1–C2B–MUN–C2C (Munc13C) spontaneously crystallizes between phosphatidylserine-rich bilayers in two distinct conformations, each... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Kirill Grushin, R. Venkat Kalyana Sundaram, Charles V. Sindelar, James E. Rothman Tags: Biochemistry Biological Sciences Source Type: research

N6-methyladenosine modification of the 5' epsilon structure of the HBV pregenome RNA regulates its encapsidation by the viral core protein [Microbiology]
Hepatitis B virus (HBV) contains a partially double-stranded DNA genome. During infection, its replication is mediated by reverse transcription (RT) of an RNA intermediate termed pregenomic RNA (pgRNA) within core particles in the cytoplasm. An epsilon structural element located in the 5′ end of the pgRNA primes the RT activity.... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Geon-Woo Kim, Jae-Su Moon, Aleem Siddiqui Tags: Microbiology Biological Sciences Source Type: research

Stochastic microbiome assembly depends on context [Microbiology]
Observational studies reveal substantial variability in microbiome composition across individuals. Targeted studies in gnotobiotic animals underscore this variability by showing that some bacterial strains colonize deterministically, while others colonize stochastically. While some of this variability can be explained by external factors like environmental, dietary, and genetic differences between individuals, in... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Eric W. Jones, Jean M. Carlson, David A. Sivak, William B. Ludington Tags: Microbiology Biological Sciences Source Type: research

Steering CO2 hydrogenation toward C-C coupling to hydrocarbons using porous organic polymer/metal interfaces [Chemistry]
The conversion of CO2 into fuels and chemicals is an attractive option for mitigating CO2 emissions. Controlling the selectivity of this process is beneficial to produce desirable liquid fuels, but C–C coupling is a limiting step in the reaction that requires high pressures. Here, we propose a strategy to favor... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Chengshuang Zhou, Arun S. Asundi, Emmett D. Goodman, Jiyun Hong, Baraa Werghi, Adam S. Hoffman, Sindhu S. Nathan, Stacey F. Bent, Simon R. Bare, Matteo Cargnello Tags: Chemistry Physical Sciences Source Type: research

The pathogenic R5L mutation disrupts formation of Tau complexes on the microtubule by altering local N-terminal structure [Biophysics and Computational Biology]
The microtubule-associated protein (MAP) Tau is an intrinsically disordered protein (IDP) primarily expressed in axons, where it functions to regulate microtubule dynamics, modulate motor protein motility, and participate in signaling cascades. Tau misregulation and point mutations are linked to neurodegenerative diseases, including progressive supranuclear palsy (PSP), Pick’s disease, and Alzheimer’s... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Alisa Cario, Adriana Savastano, Neil B. Wood, Zhu Liu, Michael J. Previs, Adam G. Hendricks, Markus Zweckstetter, Christopher L. Berger Tags: Biophysics and Computational Biology Biological Sciences Source Type: research

Self-reported COVID-19 infection and implications for mental health and food insecurity among American college students [Psychological and Cognitive Sciences]
While the COVID-19 pandemic affected mental health and increased food insecurity across the general population, less is known about the virus’s impact on college students. A fall 2020 survey of more than 100,000 students at 202 colleges and universities in 42 states reveals sociodemographic variation in self-reported infections, as well... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Sara Goldrick-Rab, Vanessa Coca, Japbir Gill, Morgan Peele, Kallie Clark, Elizabeth Looker Tags: Neuroscience, Social Sciences, Coronavirus Related Source Type: research

Pericyte dysfunction and loss of interpericyte tunneling nanotubes promote neurovascular deficits in glaucoma [Neuroscience]
Reduced blood flow and impaired neurovascular coupling are recognized features of glaucoma, the leading cause of irreversible blindness worldwide, but the mechanisms underlying these defects are unknown. Retinal pericytes regulate microcirculatory blood flow and coordinate neurovascular coupling through interpericyte tunneling nanotubes (IP-TNTs). Using two-photon microscope live imaging of the mouse... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Luis Alarcon-Martinez, Yukihiro Shiga, Deborah Villafranca-Baughman, Nicolas Belforte, Heberto Quintero, Florence Dotigny, Jorge L. Cueva Vargas, Adriana Di Polo Tags: Neuroscience Biological Sciences Source Type: research

Fungal gasdermin-like proteins are controlled by proteolytic cleavage [Genetics]
Gasdermins are a family of pore-forming proteins controlling an inflammatory cell death reaction in the mammalian immune system. The pore-forming ability of the gasdermin proteins is released by proteolytic cleavage with the removal of their inhibitory C-terminal domain. Recently, gasdermin-like proteins have been discovered in fungi and characterized as cell... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Corinne Clave, Witold Dyrka, Elizabeth A. Turcotte, Alexandra Granger–Farbos, Lea Ibarlosa, Benoit Pinson, Russell E. Vance, Sven J. Saupe, Asen Daskalov Tags: Genetics Biological Sciences Source Type: research

Disrupted Cacna1c gene expression perturbs spontaneous Ca2+ activity causing abnormal brain development and increased anxiety [Neuroscience]
The L-type voltage-gated Ca2+ channel gene CACNA1C is a risk gene for various psychiatric conditions, including schizophrenia and bipolar disorder. However, the cellular mechanism by which CACNA1C contributes to psychiatric disorders has not been elucidated. Here, we report that the embryonic deletion of Cacna1c in neurons destined for the cerebral... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Erik Smedler, Lauri Louhivuori, Roman A. Romanov, Debora Masini, Ivar Dehnisch Ellstrom, Chungliang Wang, Martino Caramia, Zoe West, Songbai Zhang, Paola Rebellato, Seth Malmersȷo, Irene Brusini, Shigeaki Kanatani, Gilberto Fisone, Tibor Harkany, P Tags: Neuroscience Biological Sciences Source Type: research

Nitric oxide stimulates type IV MSHA pilus retraction in Vibrio cholerae via activation of the phosphodiesterase CdpA [Microbiology]
Bacteria use surface appendages called type IV pili to perform diverse activities including DNA uptake, twitching motility, and attachment to surfaces. The dynamic extension and retraction of pili are often required for these activities, but the stimuli that regulate these dynamics remain poorly characterized. To address this question, we study... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Hannah Q. Hughes, Kyle A. Floyd, Saȷȷad Hossain, Sweta Anantharaman, David T. Kysela, Miklós Zoldi, Laszló Barna, Yuanchen Yu, Michael P. Kappler, Triana N. Dalia, Ram C. Podicheti, Douglas B. Rusch, Meng Zhuang, Cassandra L. F Tags: Microbiology Biological Sciences Source Type: research

Toward data-driven, dynamical complex systems approaches to disaster resilience [Sustainability Science]
With rapid urbanization and increasing climate risks, enhancing the resilience of urban systems has never been more important. Despite the availability of massive datasets of human behavior (e.g., mobile phone data, satellite imagery), studies on disaster resilience have been limited to using static measures as proxies for resilience. However, static... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 8, 2022 Category: Science Authors: Takahiro Yabe, P. Suresh C. Rao, Satish V. Ukkusuri, Susan L. Cutter Tags: Perspectives, Sustainability Science Source Type: research

Poly-2-methyl-2-oxazoline-modified bioprosthetic heart valve leaflets have enhanced biocompatibility and resist structural degeneration [Medical Sciences]
Bioprosthetic heart valves (BHV) fabricated from glutaraldehyde-fixed heterograft tissue, such as bovine pericardium (BP), are widely used for treating heart valve disease, a group of disorders that affects millions. Structural valve degeneration (SVD) of BHV due to both calcification and the accumulation of advanced glycation end products (AGE) with associated... (Source: Proceedings of the National Academy of Sciences)
Source: Proceedings of the National Academy of Sciences - February 7, 2022 Category: Science Authors: Andrey Zakharchenko, Yingfei Xue, Samuel Keeney, Christopher A. Rock, Ivan S. Alferiev, Stanley J. Stachelek, Hajime Takano, Tina Thomas, Chandrasekaran Nagaswami, Abba M. Krieger, Michael Chorny, Giovanni Ferrari, Robert J. Levy Tags: Medical Sciences Biological Sciences Source Type: research