PNAS nexus最新文献_第10页

Standoff detection of fentanyl hydrochloride via nuclear quadrupole resonance: A multimodality pursuit. 通过核四极共振检测盐酸芬太尼：一个多模态的追求。

IF 2.2

PNAS nexus Pub Date : 2025-07-01 DOI: 10.1093/pnasnexus/pgaf190

Michael W Malone, Harris E Mason, Adam R Altenhof, Michelle A Espy, Marc A Alvarez, Rami J Batrice, Amber J Day, Adam P Dioguardi, Michihiro Hirata, Margaret R Jones, Natalie E Klein, Ann E Mattsson, Shaun G Newman, Daniel A Rehn, Aaron M Tondreau, Kamal Wagle, Robert F Williams, Ruilian Wu, Michael T Janicke

{"title":"Standoff detection of fentanyl hydrochloride via nuclear quadrupole resonance: A multimodality pursuit.","authors":"Michael W Malone, Harris E Mason, Adam R Altenhof, Michelle A Espy, Marc A Alvarez, Rami J Batrice, Amber J Day, Adam P Dioguardi, Michihiro Hirata, Margaret R Jones, Natalie E Klein, Ann E Mattsson, Shaun G Newman, Daniel A Rehn, Aaron M Tondreau, Kamal Wagle, Robert F Williams, Ruilian Wu, Michael T Janicke","doi":"10.1093/pnasnexus/pgaf190","DOIUrl":"10.1093/pnasnexus/pgaf190","url":null,"abstract":"Synthetic opioids, chiefly fentanyl, are responsible for nearly 70% of global annual drug deaths due to their extreme toxicity, ease of manufacture, and addictiveness. We show the magnetic resonance technique of nuclear quadrupole resonance (NQR) spectroscopy can be used for the standoff detection of fentanyl hydrochloride (HCl), likely the most common illicit synthetic opioid, even through opaque packaging such as cardboard, plastic, and glass. Combining work in synthesis, crystallography, density functional theory, and nuclear magnetic resonance, we report the electric field gradient tensor parameters of the <math> <msup><mrow><mn> </mn></mrow> <mn>14</mn></msup> </math> N and <math> <msup><mrow><mn> </mn></mrow> <mn>35</mn></msup> </math> Cl nuclei in fentanyl HCl to determine the chemically specific NQR frequencies. We directly observe the NQR signal for the aniline nitrogen and measure the associated relaxation times. The results show a robust ability for the standoff detection of relevant quantities of fentanyl HCl, at room temperature, with an inexpensive system.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 7","pages":"pgaf190"},"PeriodicalIF":2.2,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12210233/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144546511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Creativity across domains: Thoughts in Science, Engineering, Mathematics, Computer Science, Technology, and Art. 跨领域的创造力：科学、工程、数学、计算机科学、技术和艺术的思想。

IF 3.8

PNAS nexus Pub Date : 2025-07-01 DOI: 10.1093/pnasnexus/pgaf174

Julio M Ottino

引用次数: 0

Impacts of Antarctic summer sea-ice extremes. 南极夏季海冰极端现象的影响。

IF 2.2

PNAS nexus Pub Date : 2025-07-01 DOI: 10.1093/pnasnexus/pgaf164

Edward W Doddridge, William R Hobbs, Matthis Auger, Philip W Boyd, Sean M T Chua, Sue Cook, Stuart Corney, Louise Emmerson, Alexander D Fraser, Petra Heil, Nat Kelly, Delphine Lannuzel, Xueke Li, Guillaume Liniger, Robert A Massom, Amelie Meyer, Phillip Reid, Colin Southwell, Paul Spence, Anton Steketee, Kerrie M Swadling, Nathan Teder, Barbara Wienecke, Pat Wongpan, Kaihe Yamazaki

{"title":"Impacts of Antarctic summer sea-ice extremes.","authors":"Edward W Doddridge, William R Hobbs, Matthis Auger, Philip W Boyd, Sean M T Chua, Sue Cook, Stuart Corney, Louise Emmerson, Alexander D Fraser, Petra Heil, Nat Kelly, Delphine Lannuzel, Xueke Li, Guillaume Liniger, Robert A Massom, Amelie Meyer, Phillip Reid, Colin Southwell, Paul Spence, Anton Steketee, Kerrie M Swadling, Nathan Teder, Barbara Wienecke, Pat Wongpan, Kaihe Yamazaki","doi":"10.1093/pnasnexus/pgaf164","DOIUrl":"10.1093/pnasnexus/pgaf164","url":null,"abstract":"Antarctic sea ice plays many crucial roles in the physical environments and ecosystems of Antarctica and the Southern Ocean. In this study, we synthesize the physical, biogeochemical, ecosystem, and societal impacts of summers with extreme low Antarctic sea-ice coverage. These extreme events result in the loss of multiyear landfast ice and changes in sea-ice seasonality. Following extreme low sea-ice events, we find surface warming of the Southern Ocean and changes to the formation rate of Antarctic Intermediate Water, likely affecting heat and carbon uptake. Ice-shelf calving is negatively correlated with sea-ice area, so that years with less sea ice show increased calving. Prolonged open water affects the magnitude and seasonality of surface-phytoplankton blooms. The impacts on higher trophic levels are species-specific and occur through habitat loss and changes to prey availability. Extreme sea-ice lows will adversely impact krill, a foundational prey species that relies on sea ice for nourishment and refuge. The loss of stable landfast ice in austral spring and summer hampers Antarctic operations and resupply missions. Understanding the full impacts of recent, and future, sea-ice extremes is of utmost importance and requires an enhanced observational network that spans the physical and ecological systems of Antarctica and the Southern Ocean.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 7","pages":"pgaf164"},"PeriodicalIF":2.2,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12210234/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144546508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Sensitive multichannel zero-to ultralow-field NMR with atomic magnetometer arrays. 灵敏的多通道零到超低场核磁共振与原子磁强计阵列。

IF 2.2

PNAS nexus Pub Date : 2025-06-27 eCollection Date: 2025-06-01 DOI: 10.1093/pnasnexus/pgaf187

Blake Andrews, Matthew Lai, Zhen Wang, Norihisa Kato, Michael C D Tayler, Emanuel Druga, Ashok Ajoy

{"title":"Sensitive multichannel zero-to ultralow-field NMR with atomic magnetometer arrays.","authors":"Blake Andrews, Matthew Lai, Zhen Wang, Norihisa Kato, Michael C D Tayler, Emanuel Druga, Ashok Ajoy","doi":"10.1093/pnasnexus/pgaf187","DOIUrl":"10.1093/pnasnexus/pgaf187","url":null,"abstract":"Despite its versatility and high chemical specificity, conventional nuclear magnetic resonance (NMR) spectroscopy is limited in measurement throughput due to the need for high-homogeneity magnetic fields, necessitating sequential sample analysis, and expensive devices. Here, we propose a multichannel NMR device that addresses these limitations by leveraging the zero-to ultralow-field (ZULF) regime, where simultaneous detection of multiple samples is carried out via an array of compact optically pumped magnetometers (OPMs). A magnetic field is used only for prepolarization, permitting the use of large-bore, high-field, inhomogeneous magnets that can accommodate multiple samples concurrently. Through systematic improvements, we demonstrate sensitive, high-resolution ZULF NMR spectroscopy with sensitivity comparable to benchtop 13C NMR systems. The spectroscopy remains robust without the need for field shimming for periods on the order of weeks. We show the detection of ZULF NMR signals from organic molecules without isotopic enrichment, and demonstrate the parallelized detection of three distinct samples simultaneously as a proof-of-concept, with the ability to scale further to over 100 channels at a cost comparable to traditional liquid state NMR systems. This work sets the stage for using multichannel \"NMR camera\" devices for inline reaction monitoring, robotic chemistry, quality control, and high-throughput assays.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 6","pages":"pgaf187"},"PeriodicalIF":2.2,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12202879/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144531541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Liberals and conservatives share information differently on social media. 自由派和保守派在社交媒体上分享信息的方式不同。

IF 2.2

PNAS nexus Pub Date : 2025-06-27 eCollection Date: 2025-07-01 DOI: 10.1093/pnasnexus/pgaf206

Ho-Chun Herbert Chang, James N Druckman, Emilio Ferrara, Robb Willer

引用次数: 0

Improving predictability, reliability, and generalizability of brain-wide associations for cognitive abilities via multimodal stacking. 通过多模态堆叠提高认知能力的全脑关联的可预测性、可靠性和普遍性。

IF 2.2

PNAS nexus Pub Date : 2025-06-24 eCollection Date: 2025-06-01 DOI: 10.1093/pnasnexus/pgaf175

Alina Tetereva, Annchen R Knodt, Tracy R Melzer, William van der Vliet, Bryn Gibson, Ahmad R Hariri, Ethan T Whitman, Jean Li, Farzane Lal Khakpoor, Jeremiah Deng, David Ireland, Sandhya Ramrakha, Narun Pat

{"title":"Improving predictability, reliability, and generalizability of brain-wide associations for cognitive abilities via multimodal stacking.","authors":"Alina Tetereva, Annchen R Knodt, Tracy R Melzer, William van der Vliet, Bryn Gibson, Ahmad R Hariri, Ethan T Whitman, Jean Li, Farzane Lal Khakpoor, Jeremiah Deng, David Ireland, Sandhya Ramrakha, Narun Pat","doi":"10.1093/pnasnexus/pgaf175","DOIUrl":"10.1093/pnasnexus/pgaf175","url":null,"abstract":"Brain-wide association studies (BWASs) have attempted to relate cognitive abilities with brain phenotypes, but have been challenged by issues such as predictability, test-retest reliability, and cross-cohort generalizability. To tackle these challenges, we proposed a machine learning \"stacking\" approach that draws information from whole-brain MRI across different modalities, from task-functional MRI (fMRI) contrasts and functional connectivity during tasks and rest to structural measures, into one prediction model. We benchmarked the benefits of stacking using the Human Connectome Projects: Young Adults (n = 873, 22-35 years old) and Human Connectome Projects-Aging (n = 504, 35-100 years old) and the Dunedin Multidisciplinary Health and Development Study (Dunedin Study, n = 754, 45 years old). For predictability, stacked models led to out-of-sample r∼0.5-0.6 when predicting cognitive abilities at the time of scanning, primarily driven by task-fMRI contrasts. Notably, using the Dunedin Study, we were able to predict participants' cognitive abilities at ages 7, 9, and 11 years using their multimodal MRI at age 45 years, with an out-of-sample r of 0.52. For test-retest reliability, stacked models reached an excellent level of reliability (interclass correlation > 0.75), even when we stacked only task-fMRI contrasts together. For generalizability, a stacked model with nontask MRI built from one dataset significantly predicted cognitive abilities in other datasets. Altogether, stacking is a viable approach to undertake the three challenges of BWAS for cognitive abilities.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 6","pages":"pgaf175"},"PeriodicalIF":2.2,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12199782/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144509902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Global analysis of constraints to natural climate solution implementation. 自然气候解决方案实施的制约因素的全球分析。

IF 2.2

PNAS nexus Pub Date : 2025-06-24 eCollection Date: 2025-06-01 DOI: 10.1093/pnasnexus/pgaf173

Hilary Brumberg, Margaret Hegwood, Waverly Eichhorst, Anna LoPresti, James T Erbaugh, Timm Kroeger

{"title":"Global analysis of constraints to natural climate solution implementation.","authors":"Hilary Brumberg, Margaret Hegwood, Waverly Eichhorst, Anna LoPresti, James T Erbaugh, Timm Kroeger","doi":"10.1093/pnasnexus/pgaf173","DOIUrl":"10.1093/pnasnexus/pgaf173","url":null,"abstract":"Natural climate solutions (NCS) could provide over one-third of the climate mitigation needed between now and 2030 to limit warming below 2°C and support the Sustainable Development Goals. However, large disparities persist between the estimated biophysical climate mitigation potential (CMP) of NCS and their actual implementation. Social, political, informational, and economic factors contribute to this gap, but the spatial distribution of these constraints and their impacts on different NCS pathways remains poorly understood. Understanding these constraints is especially important due to the large uncertainties in NCS CMP and growing research on spatial prioritization of NCS, often based only on biophysical criteria. We identified and mapped nonbiophysical constraints to NCS implementation efficacy by conducting a systematic review of recent peer-reviewed literature across 10 high-CMP NCS pathways. From 1,821 papers, we identified 352 that provided 2,480 observations of 39 unique constraints from 135 countries. We mapped the spatial distribution of these constraints and analyzed patterns across NCS pathways and geographic classifications. Lack of funding, insufficient information on NCS management, and ineffective policies emerged as the most common constraints globally. However, each pathway and geography faced a distinct suite of interrelated constraints spanning multiple categories. These findings highlight the need for context-specific, equitable solutions, likely requiring transdisciplinary approaches and cross-sectoral collaborations. The results could also help increase accuracy of NCS CMP estimates. We discuss how adaptive management may be used for NCS initiatives at any scale to proactively diagnose co-occurring constraints at each implementation phase and to develop integrated, place-based solutions.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 6","pages":"pgaf173"},"PeriodicalIF":2.2,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12199758/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144509900","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The immorality of too much money. 钱太多是不道德的。

IF 2.2

PNAS nexus Pub Date : 2025-06-24 eCollection Date: 2025-06-01 DOI: 10.1093/pnasnexus/pgaf158

Jackson Trager, Mohammad Atari

{"title":"The immorality of too much money.","authors":"Jackson Trager, Mohammad Atari","doi":"10.1093/pnasnexus/pgaf158","DOIUrl":"10.1093/pnasnexus/pgaf158","url":null,"abstract":"In some societies, people find excessive wealth immoral, while others are structured so that having too much money is morally neutral or even praised. Here, we show that moral judgments of excessive wealth are distinguishable from moral judgments of economic inequality and examine how people's moral concerns and national inequality predict the immorality of excessive wealth around the globe. Using demographically stratified samples from 20 nations ( <math><mi>N</mi> <mo>=</mo> <mn>4,351</mn></math> ), we find that across all countries, people do not find excessive wealth very immoral, with notable variability such that more equal and wealthy societies (e.g. Belgium, Switzerland) consider having too much money more wrong. People's equality and purity concerns reliably predicted their condemnation of excessive wealth, whereas loyalty, authority, and proportionality concerns were negatively associated with condemnation of excessive wealth across societies after controlling for the moralization of inequality, religiosity, political ideology, and demographic variables. We conducted a follow-up study in the United States ( <math><mi>N</mi> <mo>=</mo> <mn>315</mn></math> ), showing that moral purity is more broadly linked to the moralization of excess beyond wealth, even after controlling for different ways of wealth acquisition and spending. Collectively, these cross-cultural results demonstrate that some moral intuitions shape our moral judgment of excessive wealth above and beyond economic inequality.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 6","pages":"pgaf158"},"PeriodicalIF":2.2,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12199241/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144509907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Lost time undermines return behavior. 失去的时间会破坏回头客行为。

IF 2.2

PNAS nexus Pub Date : 2025-06-24 eCollection Date: 2025-06-01 DOI: 10.1093/pnasnexus/pgaf156

Linda Hagen, Ed O'Brien

{"title":"Lost time undermines return behavior.","authors":"Linda Hagen, Ed O'Brien","doi":"10.1093/pnasnexus/pgaf156","DOIUrl":"10.1093/pnasnexus/pgaf156","url":null,"abstract":"People commonly experience long gaps of time between getting to do things they love to do. In principle, the longer it has been since people last enjoyed something, the quicker they should jump at the chance to enjoy it again. In practice, five experiments reveal a case of the opposite: The longer since people's last enjoyable experience, the more they postpone returning-in part because they demand their return be \"extra special\" to offset the wait. This effect emerged across many controlled parameters. For example, participants chose to avoid contacting close friends after large vs. small gaps in contact, all else equal-a choice that undermined their immediate happiness. This effect further extended to COVID-19 contexts, regarding people's returns from lengthy shutdowns: Somewhat nonobviously, we found that participants delayed returning to everyday activities even longer (as opposed to jumping back at their first sufficiently good chance) if it meant that they could better mark the occasion. Finally, this effect was uniquely attenuated by helping participants reconstrue any chance to return as \"extra special.\" Together, these findings suggest that time delays create psychological barriers to returning, which people self-impose. People may increasingly avoid contacting loved ones, getting back into rewarding hobbies, and so on, the longer it has been since last time, promoting vicious cycles of deferment. Motivating people to return to experiences that would enhance their immediate happiness-experiences they still want to have and are now theirs to take-may be surprisingly difficult.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 6","pages":"pgaf156"},"PeriodicalIF":2.2,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12199251/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144509904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Microtubules in Martini: Parameterizing a heterogeneous elastic-network towards a mechanically accurate microtubule. 马提尼酒中的微管：向机械精确微管方向参数化非均质弹性网络。

IF 2.2

PNAS nexus Pub Date : 2025-06-21 eCollection Date: 2025-07-01 DOI: 10.1093/pnasnexus/pgaf202

Abhilash Sahoo, Sonya M Hanson

{"title":"Microtubules in Martini: Parameterizing a heterogeneous elastic-network towards a mechanically accurate microtubule.","authors":"Abhilash Sahoo, Sonya M Hanson","doi":"10.1093/pnasnexus/pgaf202","DOIUrl":"10.1093/pnasnexus/pgaf202","url":null,"abstract":"Microtubules are essential cytoskeletal filaments involved in cell motility, division, and intracellular transport, exhibiting complex structural dynamics governed by diverse biophysical factors. Atomistic simulations of microtubule assemblies remain challenging due to their extensive spatiotemporal scales. To address this, we present a multiscale approach combining the primarily top-down Martini 3 coarse-grained (CG) model with an appropriately parameterized heterogeneous elastic network to capture microtubule mechanics and molecular detail efficiently. By iteratively tuning the elastic network, we matched the structural fluctuations of CG heterodimeric building blocks to atomistic reference data, reproducing experimentally consistent mechanical properties. This framework helped us identify stabilizing long-lived interactions between charged C-terminal tails and the folded domain of neighboring tubulin subunits, offering insight into sequence-specific contributions to lattice stability. Our efforts culminated in the construction of a <math><mo>∼</mo></math> 200 nm microtubule composed of <math><mo>∼</mo> <mn>6</mn></math> million interaction centers, enabling exploration of large-scale microtubule-associated processes with amino acid-level resolution. This work bridges the gap between molecular specificity and computational scalability, offering a platform for simulating biophysical processes across cellular length and time scales.","PeriodicalId":74468,"journal":{"name":"PNAS nexus","volume":"4 7","pages":"pgaf202"},"PeriodicalIF":2.2,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12208291/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144546509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0