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Harnessing coupled nanolasers near exceptional points for directional emission - Figures Data

Each figure's generative Matlab script is placed in a separate folder, along with the associated data.

opencc-by-4.0Sep 2024View details →

Investigating fracture mechanisms in glassy polymers using coupled particle-continuum simulations

This repository contains public data for the publication "Investigating fracture mechanisms in glassy polymers using coupled atomistic-continuum simulations" [1]. These scripts, force fields, topologies and other files may be used to reproduce the simulations and calculations that led to the above publication. The folder "md simulations" contains data files for pure MD simulations that were used as a reference for understanding molecular fracture mechanisms in our model. The folder "coupled simulations" contains data files for coupled MD-FE simulations which are the highlight of our publication.   Reference: [1] W. Zhao, Y. Jain, F. Müller-Plathe, P. Steinmann, S. Pfaller, "Investigating fracture mechanisms in glassy polymers using coupled particle-continuum simulations", Journal of the Mechanics and Physics of Solids, 2024, 105884. DOI: <a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.jmps.2024.105884" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.jmps.2024.105884</a>

Source data for Figures and Tables in "Photoinduced hydrogen dissociation in thymine predicted by coupled cluster theory"

Source data for figures and tables in "Unexpected hydrogen dissociation in thymine predicted by coupled cluster theory". This work has received funding from the Norwegian Research Council through FRINATEK project 275506, the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (Grant No.~101020016), the AMOS program within the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division.  We acknowledge computing resources through UNINETT Sigma2--the National Infrastructure for High Performance Computing and Data Storage in Norway, project NN2962k.

For "Exceptional points induced by unidirectional coupling in electronic circuits" on Nature Communications

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opencc-by-4.0Sep 2024View details →

Decline in coupling between vegetation photosynthesis and greening in northern ecosystems during the photosynthesis-up period

The maximum seasonal vegetation photosynthesis (Phomax) is crucial to regulating the global carbon dynamics. Among them, the seasonal increments in vegetation photosynthesis (ΔPho) have major implications for understanding Phomax. However, the interannual variability of ΔPho within the photosynthesis-up period (PUP) and its influencing factors remain unclear. To address this knowledge gap, we identified PUP and quantified the multi-year characteristics of ΔPho using satellite-derived solar-induced chlorophyll fluorescence. We further investigated the response of ΔPho in northern ecosystems to climate change and vegetation greening by integrating climate data and the normalized difference vegetation index. In the northern ecosystems, longer PUP often spatially correlated with a higher ΔPho. An increasing trend was evident regarding the multi-year variations in ΔPho, suggesting enhanced vegetation photosynthesis within the PUP. This phenomenon is primarily driven by increased solar radiation and intensified vegetation greening. Additionally, based on the results derived from satellite data, we found three pieces of evidence for the decoupling trend between vegetation photosynthesis and greening under the influence of climate change: first, the inconsistent trends between ΔPho and greening; second, the declining moving trend in the correlation coefficient between ΔPho and greening, approximately 9.17 × 10−4; and third, the weakened dominant role of greening on ΔPho. The findings are also partially validated by the results from ecosystem model simulations. This study provides insights into the interannual variability of ΔPho and its influencing factors, and indicates that vegetation dynamics and terrestrial carbon cycle are likely to become more complex under future climate change scenarios.

Supporting data and code for the published paper: Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn–Sham Approach

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DeepCellMap: a Deep Learning Approach Coupled to Spatial Statistics to unravel Microglial Spatial Organization in the Developing Human Brain

DeepCellMap is a deep-learning-assisted tool that integrates multi-scale image processing with advanced spatial and clustering statistics. This pipeline is designed to map microglial organization during normal and pathological brain development but can be adapted to any cell type.} Using DeepCellMap, we can capture the morphological diversity of microglia,  identify strong coupling between proliferative and phagocytic phenotypes, and show that distinct spatial clusters rarely overlap as human brain development progresses. Additionally, we uncover a novel association between microglia and blood vessels in fetal brains exposed to maternal SARS-CoV-2. These findings offer insights into whether various microglial phenotypes form networks in the developing brain to occupy space, and in conditions involving haemorrhages, whether microglia respond to, or influence changes in blood vessel integrity. DeepCellMap is available as open-source software and is a powerful tool for extracting spatial statistics and analyzing cellular organization in large tissue sections, accommodating various imaging modalities.

opencc-by-4.0Sep 2024View details →

raw data for the article "Forging 1,1'-Bicyclopropenyls by Synergistic Au/Ag Dual-Catalyzed Cyclopropenyl Cross-Coupling"

Raw NMR, IR and MS  data  for the article "Forging 1,1'-Bicyclopropenyls by Synergistic Au/Ag Dual-Catalyzed Cyclopropenyl Cross-Coupling" published in  the Journal of the American Chemical Society DOI:  <a title="DOI URL" href="https://doi.org/10.1021/jacs.4c10996">https://doi.org/10.1021/jacs.4c10996</a> The number of the folders either correspond to compounds numbers in the article or the name of the folder is self-describing. All details concerning conditions and equipment for measurements can be found in the supporting information of the article. For convenience, the word file version of the supporting information can be found on the top of the raw data folder.

All structures for electronic coupling for TEMPO

<ol> <li>'all_263_structures' folder contains all 263 structures' xyz files.</li> <li> 'results_all_coup_casscf_ma_tzvp.csv' contains names of all the structures with correct active space obtained using CASSCF-GMH1.</li> <li> 'results_all_coup_casscf_ma_svp.csv' contains names of all the structures with correct active space obtained using CASSCF-GMH2.</li> <li>'tddft_basis_coupling.csv' contains names of the five randomly selected structures.</li> </ol>

Supplementary, raw data, and model for manuscript titled Coupling the TKE-ACM2 Planetary Boundary Layer Scheme with the Building Effect Parameterization Model

This file contains 1. raw data simulated by WRF and PALM, and LiDAR and surface station measurements (<a href="https://zenodo.org/api/records/13959541/draft/files/Raw%20data%20PALM_WRF_Obs.zip/content" target="_blank" rel="noopener noreferrer">Raw data PALM_WRF_Obs.zip</a>); 2. supplementary drawing modeled and simulated U10, T2, and RH2 time series at surface stations (<a href="https://zenodo.org/api/records/13959541/draft/files/Supplementary.docx/content" target="_blank" rel="noopener noreferrer">Supplementary.docx</a>); 3. WRF version containing the TKE-ACM2+BEP (<a href="https://zenodo.org/api/records/13959541/draft/files/WRF433_TKE-ACM2+BEP.tar.gz/content" target="_blank" rel="noopener noreferrer">WRF433_TKE-ACM2+BEP.tar.gz</a>).

opencc-by-4.0Jun 2024View details →

Control of spin-orbit torque-driven domain nucleation through geometry in chirally coupled magnetic tracks

Open data for "Control of spin-orbit torque-driven domain nucleation through geometry in chirally coupled magnetic tracks" published in  Appl. Phys. Lett. 125, 142401 (2024) <a href="https://doi.org/10.1063/5.0224146" target="_blank" rel="noopener">https://doi.org/10.1063/5.0224146</a>

opencc-zeroDec 2016View details →

Data from: Measuring couple relationship quality in a rural African population: validation of a couple functionality assessment tool in Malawi

Available data suggest that individual and family well-being are linked to the quality of women's and men's couple relationships, but few tools exist to assess couple relationship functioning in low and middle-income countries. In response to this gap, Catholic Relief Services has developed a Couple Functionality Assessment Tool (CFAT) to capture valid and reliable data on various domains of relationship quality. This tool is designed to be used by interventions which aim to improve couple and family well-being as a means of measuring the effectiveness of these interventions, particularly related to couple relationship quality. We carried out a validation study of the CFAT among 401 married and cohabiting adults (203 women and 198 men) in rural Chikhwawa District, Malawi. Using psychometric scales, the CFAT addressed six domains of couple relationship quality (intimacy, partner support, sexual satisfaction, gender roles, decision-making, and communication and conflict management), and included questions on intimate partner violence. We used exploratory factor analysis to assess scale performance of each domain and produce a shortened Relationship Quality Index (RQI) composed of items from five relationship quality domains. This article reports the performance of the RQI. Internal reliability and validity of the RQI were found to be good. Regression analyses examined the relationship of the RQI to outcomes important to health and development: intra-household cooperation, positive health behaviors, intimate partner violence, and gender-equitable norms. We found many significant correlations between RQI scores and these couple- and family-level development issues. There is a need to further validate the tool with use in other populations as well as to continue to explore whether the observed linkages between couple functionality and development outcomes are causal relationships.

opencc-zeroOct 2019View details →

A practical method for estimating coupling functions in complex dynamical systems

A foremost challenge in modern network science is the inverse problem of reconstruction (inference) of coupling equations and network topology from the measurements of the network's dynamics. Of particular interest are the methods that can operate on real (empirical) data without interfering with the system. One of such earlier attempts (Tokuda et al. 2007 Phys. Rev. Lett. 99, 064101) was a method suited for general limit-cycle oscillators, yielding both oscillators' natural frequencies and coupling functions between them (phase equations) from empirically measured time series. The present paper reviews the above method in a way comprehensive to domain-scientists other than physics. It also presents applications of the method to (i) detection of the network connectivity, (ii) inference of the phase sensitivity function, (iii) approximation of the interaction among phase-coherent chaotic oscillators, and (iv) experimental data from a forced Van der Pol electric circuit. This reaffirms the range of applicability of the method for reconstructing coupling functions and makes it accessible to a much wider scientific community.

opencc-by-4.0Jul 2018View details →

Raw data for "Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy"

Raw data for "Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy"

opencc-zeroDec 2018View details →

Data from: Determinants of elephant foraging behavior in a coupled human-natural system: is brown the new green?

1. Crop raiding by wildlife poses major threats to both wildlife conservation and human wellbeing in agro-ecosystems worldwide. These threats are particularly acute in many parts of Africa, where crop raiders include globally threatened megafauna such as elephants, and where smallholder agriculture is a primary source of human livelihood. One framework for understanding herbivore feeding behavior, the forage-maturation hypothesis, predicts that herbivores should align their movements with intermediate forage biomass (i.e., peak green-up); this phenomenon is known as "surfing the green wave." Crop-raiding elephants, however, often consume not just foliage, but also fruits and tubers (e.g., maize, potatoes), which generally mature after seasonal peaks in photosynthetic activity. Thus, although elephants have been reported to surf the green wave in natural habitats, they may utilize a different strategy in cultivated landscapes by selecting crops that are "browning down." 2. We sought to understand the factors that underpin movement of elephants into agricultural landscapes. 3. In Mozambique's Gorongosa National Park, we used movement data from GPS-collared elephants, together with precipitation records, remotely sensed estimates of landscape greenness (NDVI), DNA-based diet analysis, measurements of plant nutritional quality, and survey-based metrics of crop availability to understand spatiotemporal variation in elephant crop-raiding behavior. 4. Elephants tracked peak NDVI while foraging inside the Park. During the dry season, however, when NDVI within the Park declined and availability of mature crops was high, crop-raiding increased dramatically, and elephants consistently selected crop plants that were browning down while foraging in cultivated landscapes. Crops contained significantly higher digestible energy than wild food plants, but comparable (and sometimes lower) levels of digestible protein, suggesting that this foraging strategy maximized energy rather than protein intake. 5. Our study is the first to combine GPS tracking data with high-resolution diet analysis and community-based reporting of crop availability to reveal fine-scale plasticity in foraging behavior of elephants at the human-wildlife interface. Our results extend the forage-maturation hypothesis by showing that elephants surf waves of plant brown-down in cultivated landscapes. These findings can aid efforts to reduce human-elephant conflict by enabling wildlife managers to prioritize mitigation actions in time and space with limited resources.

opencc-zeroJun 2021View details →

Consequences of migratory coupling of predators and prey when mediated by human actions

Aim: Animal migrations influence ecosystem structure, dynamics, and persistence of predator and prey populations. The theory of migratory coupling postulates that aggregations of migrant prey can induce large-scale synchronized movements in predators, and this coupling is consequential for the dynamics of ecological communities. The degree to which humans influence these interactions remains largely unknown. We tested whether the creation of large resource pulses by humans such as seasonal herding of reindeer Rangifer tarandus and hunting of moose, Alces alces, can induce migratory coupling with Golden Eagles, Aquila chrysaetos, and if these lead to demographic consequences for the eagles. Location: Fennoscandia Methods: We used movement data from 32 tracked Golden Eagles spanning 125 annual migratory cycles over eight years. We obtained reindeer distribution data through collaboration with reindeer herders based on satellite tracking of reindeer, and moose harvest data from the national hunting statistics for Sweden. We assessed demographic consequences for eagles from ingesting lead from ammunition fragments in moose carcasses through survival estimates and their links with lead concentrations in eagles' blood. Results: In spring, eagles migrated hundreds of kilometers to be spatially and temporally coupled with calving reindeer, whereas in autumn, eagles matched their distribution with the location and timing of moose hunt. Juveniles were more likely to couple with reindeer calving, whereas adults were particularly drawn to areas of higher moose harvest. Due to this coupling, eagles ingested lead from spent ammunition in moose offal and carcasses and the resulting lead-toxicity increased the risk of mortality by 3.4 times. Main conclusions: We show how migratory coupling connects landscape processes and that human actions can influence migratory coupling over large spatial scales and increase demographic risks for predators. We provide vital knowledge towards resolving human wildlife conflicts and the conservation of protected species over a large spatial and temporal scale.

opencc-zeroJun 2021View details →

The role of action potential changes in depolarization-induced failure of excitation contraction coupling in mouse skeletal muscle

Excitation-contraction coupling (ECC) is the process by which electrical excitation of muscle is converted into force generation. Depolarization of skeletal muscle resting potential contributes to failure of ECC in diseases such as periodic paralysis, intensive care unit acquired weakness and possibly fatigue of muscle during vigorous exercise. When extracellular K+ is raised to depolarize the resting potential, failure of ECC occurs suddenly, over a narrow range of resting potentials. Intracellular recordings of action potentials (APs) in individual mouse skeletal muscle fibers during depolarization of the resting potential revealed small APs are still generated at resting potentials at which force production has failed. Simultaneous imaging of Ca2+ transients and recording of APs demonstrated failure to generate Ca2+ transients when APs peaked at potentials more negative than -30 mV. An AP property that closely correlated with failure of the Ca2+ transient was the integral of AP voltage with respect to time. Simultaneous recording of Ca2+ transients and APs with electrodes separated by 1.6 mm revealed AP conduction fails when APs peak below -21 mV. We hypothesize propagation of APs and generation of Ca2+ transients are governed by distinct AP properties: AP conduction is governed by AP peak, whereas Ca2+ release from the sarcoplasmic reticulum is governed by AP integral of voltage with respect to time. The reason distinct AP properties may govern separate steps of ECC is the kinetics of the ion channels involved in the different steps of ECC. Na channels, which govern propagation, have rapid kinetics such that propagation is insensitive to AP width (and integral) whereas Ca2+ release is governed by movement of gating charges in Cav1.1 channels, which have slower kinetics such that Ca2+ release is sensitive to AP width (and integral). The quantitative relationships established between resting potential, AP properties, AP conduction and Ca2+ transients provide the foundation for future studies of failure of ECC induced by depolarization of the resting potential.

opencc-by-4.0Jul 2021View details →

NiCl2 as a Cheap and Efficient Precatalyst for the Coupling of Aryl Fluorosulfonate and Phosphite/Phosphine Oxide

conclusions, We have developed a nickel-catalyzed coupling of aryl fluorosulfonates and phosphine oxides/phosphites. The using of NiCl2 as a cheap pre-catalyst and avoidance of additives enable this transformation more practical. The tolerance of functional group is good, and the late-stage conversion of estrone is achieved.

opencc-by-4.0Mar 2020View details →

Increasing the sensitivity of hyperpolarized [15N2]urea detection by serial transfer of polarization to spin-coupled protons

This upload contains the raw data, MATLAB scripts and Mathematica notebooks used for the publication. Figure 2, 3, 7 and 8 where generated with the Mathematica notebooks in the folder Mathematica_Notebooks. Figure 4 was generated with the raw data in NOE_data/20190821 and processed with the script NOE_data/20190821/H1to15NNOEin15N2urea.m Figure 5a is based on data in Polarization_Transfer_Data/spectral/timecourse/_fk_BHINDER_flipback_15Nto1H_hyp_20180609_01.fid processed with Polarization_Transfer_Data/spectral/timecourse/_fk_BHINDER_flipback_15Nto1H_hyp_20180609_01.fid/timecourse.m Figure 5b is based on Polarization_Transfer_Data/imaging/_fk_BHINDER_flipback_EPIP_hyp_10perc_20180531_01.img . From this raw data image2 - image60 are acquired after polarisation transfer. Image1 is a direct acquisition of the water resonance . The brightness and contrast of the images was adjusted and a montage of images 2 to 9  was created with (Fiji <a href="https://imagej.net/software/fiji/">https://imagej.net/software/fiji/</a>) . Figure 6 is based on data in Polarization_Transfer_Data/spectral/interleaved processed with Polarization_Transfer_Data/spectral/interleaved/comparision.m The script Pulse_Generation/createIRRUPT.m was used to generate the adiabatic pulses.