cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6073/pasta/9bc086ade83db78e6178b835fe94decb
title: Effects of a tropical stream poisoning: do they reflect effects of small-scale experiments?

description: Small-scale experiments in tropical streams have suggested that freshwater shrimps play a critical role in determining the quality and quantity of benthic organic matter and overall nutrient dynamics. We quantified the effects of a whole-reach shrimp poisoning event in the Sonadora, a second-order stream draining the Luquillo Experimental Forest in northeastern Puerto Rico. The illegal poisoning (for shrimp harvest) caused massive mortality of shrimps and aquatic insects. Atyid and xiphocaridid shrimp abundances in pools of the poisoned reach were reduced by ~95%, relative to abundances in an upstream reference reach. A survey of poisoned vs. reference pools, combined with a manipulative experiment (in which atyid and xiphocaridid shrimps were added to 3 poisoned pools), showed that reduced shrimp abundances due to the poisoning had strong impacts on benthic resources. The benthos of poisoned pools, where shrimp abundances were reduced, had 4 times more chlorophyll a, 6 times more algal biovolume, 4 times more fine particulate organic matter, 14 times more fine particulate inorganic matter, 5 times more carbon, and 4 times more nitrogen than did the benthos of pools in the reference reach. These increases in benthic resources were consistent with increases in algae, organic/inorganic matter, and nutrients in previous small-scale shrimp exclusion experiments conducted in the study river and tributaries. Effects of shrimp poisoning on the benthos varied by habitat, with riffles showing fewer significant differences than did pools. Compared to reference riffles, poisoned riffles had higher standing stocks of fine particulate inorganic matter, nitrogen, and biovolume of filamentous algae, and lower epilithic C:N ratios. Overall, previous small-scale exclusion experiments were highly predictive of the direction of effects due to large-scale shrimp removal by poisoning. Our study provides a tropical data set to add to the short list of stream studies that examine the predictive power of small-scale experiments for larger scales. Support for this work was provided by grants BSR-8811902, DEB-9411973, DEB-9705814 , DEB-0080538, DEB-0218039 , DEB-0620910 , DEB-1239764, DEB-1546686, and DEB-1831952 from the National Science Foundation to the University of Puerto Rico as part of the Luquillo Long-Term Ecological Research Program. Additional support provided by the University of Puerto Rico and the International Institute of Tropical Forestry, USDA Forest Service.
DOI: 10.6084/m9.figshare.23498746.v1
title: Effects of unilateral anteromedial temporal lobe resections on event-related potentials when reading negative and neutral words

description: We investigated effects of unilateral left (lTLR, <i>N </i>= 15) or right (rTLR, <i>N </i>= 19) anteromedial temporal lobe resections comprising amygdala and temporal pole on event-related potentials (ERPs) during attentive reading of negative and neutral words, their emotional evaluation, and recognition memory. Content effects on behaviour did not differ between lTLR, rTLR, and controls (<i>N </i>= 18). Negative words elicited larger ERPs than neutral words for P1, Early Posterior Negativity (EPN), and Late Positive Potential (LPP). However, the rTLR group lacked the P1 enhancement and had attenuated EPN effects. Despite showing generally the largest ERP amplitudes, the lTLR group had smaller occipital N1 and left frontal positivity for negative compared with neutral words in the N1 window. Only lTLR also had smaller left parietal P2 and larger right parietal P3 and LPP for negative words. These data help specify left and right anteromedial temporal lobe contributions to the processing of negative and neutral words.
DOI: 10.6084/m9.figshare.20126156
title: Affect as Anaesthetic: how emotional contexts modulate the processing of counterintuitive concepts

description: In popular narratives, minimally counterintuitive concepts (MCIs), which violate one category of our real-world knowledge (e.g. talking trees), are frequently embedded in emotional contexts. To assess the impact of emotion on MCI processing, we presented micro-narratives with negative or neutral contents before target sentences. We compared electrophysiological correlates of semantic processing elicited by MCIs, common semantic expectancy violations, and intuitive concepts, presented as critical within-sentence words and as images after the sentences. Results show that emotional contexts play a critical role for MCI processing. N400 effects in neural responses to MCIs that we observed after neutral contexts were not found after negative contexts, suggesting that the synergy between emotional context and MCI saliency enhances the processing of narratives at the cost of critical semantic processing. This finding is relevant for neurocognitive models of language comprehension in high-level contexts, for our understanding of the attraction of counterintuitive concepts and rhetorical strategies.
DOI: 10.6084/m9.figshare.20126156.v2
title: Affect as Anaesthetic: how emotional contexts modulate the processing of counterintuitive concepts

description: In popular narratives, minimally counterintuitive concepts (MCIs), which violate one category of our real-world knowledge (e.g. talking trees), are frequently embedded in emotional contexts. To assess the impact of emotion on MCI processing, we presented micro-narratives with negative or neutral contents before target sentences. We compared electrophysiological correlates of semantic processing elicited by MCIs, common semantic expectancy violations, and intuitive concepts, presented as critical within-sentence words and as images after the sentences. Results show that emotional contexts play a critical role for MCI processing. N400 effects in neural responses to MCIs that we observed after neutral contexts were not found after negative contexts, suggesting that the synergy between emotional context and MCI saliency enhances the processing of narratives at the cost of critical semantic processing. This finding is relevant for neurocognitive models of language comprehension in high-level contexts, for our understanding of the attraction of counterintuitive concepts and rhetorical strategies.
DOI: 10.6084/m9.figshare.23498746
title: Effects of unilateral anteromedial temporal lobe resections on event-related potentials when reading negative and neutral words

description: We investigated effects of unilateral left (lTLR, <i>N </i>= 15) or right (rTLR, <i>N </i>= 19) anteromedial temporal lobe resections comprising amygdala and temporal pole on event-related potentials (ERPs) during attentive reading of negative and neutral words, their emotional evaluation, and recognition memory. Content effects on behaviour did not differ between lTLR, rTLR, and controls (<i>N </i>= 18). Negative words elicited larger ERPs than neutral words for P1, Early Posterior Negativity (EPN), and Late Positive Potential (LPP). However, the rTLR group lacked the P1 enhancement and had attenuated EPN effects. Despite showing generally the largest ERP amplitudes, the lTLR group had smaller occipital N1 and left frontal positivity for negative compared with neutral words in the N1 window. Only lTLR also had smaller left parietal P2 and larger right parietal P3 and LPP for negative words. These data help specify left and right anteromedial temporal lobe contributions to the processing of negative and neutral words.
DOI: 10.6084/m9.figshare.20126156.v1
title: Affect as anaesthetic how emotional contexts modulate the processing of counterintuitive concepts

description: In popular narratives, minimally counterintuitive concepts (MCIs), which violate one category of our real-world knowledge (e.g. talking trees), are frequently embedded in emotional contexts. To assess the impact of emotion on MCI processing, we presented micro-narratives with negative or neutral contents before target sentences. We compared electrophysiological correlates of semantic processing elicited by MCIs, common semantic expectancy violations, and intuitive concepts, presented as critical within-sentence words and as images after the sentences. Results show that emotional contexts play a critical role for MCI processing. N400 effects in neural responses to MCIs that we observed after neutral contexts were not found after negative contexts, suggesting that the synergy between emotional context and MCI saliency enhances the processing of narratives at the cost of critical semantic processing. This finding is relevant for neurocognitive models of language comprehension in high-level contexts, for our understanding of the attraction of counterintuitive concepts and rhetorical strategies.
DOI: 10.6084/m9.figshare.21071120
title: Speakers' emotional facial expressions modulate subsequent multi-modal language processing: ERP evidence

description: We investigated the brain responses associated with the integration of speaker facial emotion into situations in which the speaker verbally describes an emotional event. In two EEG experiments, young adult participants were primed with a happy or sad speaker face. The target consisted of an emotionally positive or negative IAPS photo accompanied by a spoken emotional sentence describing that photo. The speaker's face either matched or mismatched the event-sentence valence. ERPs elicited by the adverb conveying sentence valence showed significantly larger negative mean amplitudes in the EPN and descriptively in the N400 time windows for positive speaker faces - negative event-sentences (vs. negatively matching prime-target trials). Our results suggest that young adults might allocate more processing resources to attend to and process negative (vs. positive) emotional situations when being primed with a positive (vs. negative) speaker face but not vice versa. Post-hoc analysis indicated that this interaction was driven by female participants. We extend previous eye-tracking findings with insights into the timing of the functional brain correlates implicated in integrating the valence of a speaker face into a multi-modal emotional situation.
DOI: 10.6084/m9.figshare.21071120.v1
title: Speakers' emotional facial expressions modulate subsequent multi-modal language processing: ERP evidence

description: We investigated the brain responses associated with the integration of speaker facial emotion into situations in which the speaker verbally describes an emotional event. In two EEG experiments, young adult participants were primed with a happy or sad speaker face. The target consisted of an emotionally positive or negative IAPS photo accompanied by a spoken emotional sentence describing that photo. The speaker's face either matched or mismatched the event-sentence valence. ERPs elicited by the adverb conveying sentence valence showed significantly larger negative mean amplitudes in the EPN and descriptively in the N400 time windows for positive speaker faces - negative event-sentences (vs. negatively matching prime-target trials). Our results suggest that young adults might allocate more processing resources to attend to and process negative (vs. positive) emotional situations when being primed with a positive (vs. negative) speaker face but not vice versa. Post-hoc analysis indicated that this interaction was driven by female participants. We extend previous eye-tracking findings with insights into the timing of the functional brain correlates implicated in integrating the valence of a speaker face into a multi-modal emotional situation.
DOI: 10.6084/m9.figshare.16607219
title: Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects

description: Parity-violating energies EPV of the H<sub>2</sub>X<sub>2</sub> (X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimised basis sets. Radiative corrections to the EPV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H<sub>2</sub>Po<sub>2</sub>. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity.
DOI: 10.6084/m9.figshare.16607219.v2
title: Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects

description: Parity-violating energies EPV of the H<sub>2</sub>X<sub>2</sub> (X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimised basis sets. Radiative corrections to the EPV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H<sub>2</sub>Po<sub>2</sub>. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity.
DOI: 10.6084/m9.figshare.16529385
title: The 130–360 GHz rotational spectrum of <i>syn</i>-2-cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N) – a molecule of astrochemical relevance

description: The analysis of <i>syn</i>-2-cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N, <i>μ<sub>a</sub></i> = 3.2 D, <i>μ<sub>b</sub></i> = 2.3 D) in its ground vibrational state and two lowest-energy excited vibrational states, ν<sub>27</sub> (A<sup>″</sup>, 144 cm<sup>−1</sup>) and ν<sub>19</sub> (A′, 163 cm<sup>−1</sup>), in the 130–360 GHz frequency region has been completed. Nearly 4200 rotational transitions have been measured in the ground vibrational state for the first time, resulting in the determination of the spectroscopic constants for a complete octic Hamiltonian with low error. Analysis of the two lowest-energy, Coriolis-coupled fundamentals reported herein, each containing circa 3000 transitions, yielded two possible least-squares fitting solutions. Both solutions address perturbation between the two vibrational states, including resonances and several nominal interstate transitions, using four <i>a</i>-type and five <i>b</i>-type Coriolis coupling terms (Ga, GaJ, GaK, Fbc, Gb, GbK, Fac, and FacK, with or without FacJ). The energy separation between the two states, Δ<i>E</i><sub>27,19</sub> = 12.307065 (2) cm<sup>−1</sup>, agrees between the two solutions within their statistical uncertainties, giving confidence that this value is accurate despite the differing Coriolis-coupling terms. The precise rotational and distortion constants determined in this work provide the foundation for an astronomical search for <i>syn</i>-2-cyano-1,3-butadiene across the radio band.
DOI: 10.6084/m9.figshare.16529385.v3
title: The 130–360 GHz rotational spectrum of <i>syn</i>-2-cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N) – a molecule of astrochemical relevance

description: The analysis of <i>syn</i>-2-cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N, <i>μ<sub>a</sub></i> = 3.2 D, <i>μ<sub>b</sub></i> = 2.3 D) in its ground vibrational state and two lowest-energy excited vibrational states, ν<sub>27</sub> (A<sup>″</sup>, 144 cm<sup>−1</sup>) and ν<sub>19</sub> (A′, 163 cm<sup>−1</sup>), in the 130–360 GHz frequency region has been completed. Nearly 4200 rotational transitions have been measured in the ground vibrational state for the first time, resulting in the determination of the spectroscopic constants for a complete octic Hamiltonian with low error. Analysis of the two lowest-energy, Coriolis-coupled fundamentals reported herein, each containing circa 3000 transitions, yielded two possible least-squares fitting solutions. Both solutions address perturbation between the two vibrational states, including resonances and several nominal interstate transitions, using four <i>a</i>-type and five <i>b</i>-type Coriolis coupling terms (Ga, GaJ, GaK, Fbc, Gb, GbK, Fac, and FacK, with or without FacJ). The energy separation between the two states, Δ<i>E</i><sub>27,19</sub> = 12.307065 (2) cm<sup>−1</sup>, agrees between the two solutions within their statistical uncertainties, giving confidence that this value is accurate despite the differing Coriolis-coupling terms. The precise rotational and distortion constants determined in this work provide the foundation for an astronomical search for <i>syn</i>-2-cyano-1,3-butadiene across the radio band.
DOI: 10.6084/m9.figshare.16607219.v1
title: Towards highly accurate calculations of parity violation in chiral molecules: relativistic coupled-cluster theory including QED-effects

description: Parity-violating energies EPV of the H<sub>2</sub>X<sub>2</sub> (X = O, S, Se, Te, Po) molecules are reported, calculated as analytical expectation values at the relativistic coupled-cluster singles-and-doubles (CCSD) level using property-optimised basis sets. Radiative corrections to the EPV was investigated using effective QED-potentials and found to reach a maximal value of 2.38% for H<sub>2</sub>Po<sub>2</sub>. However, this result depends on the choice of effective self-energy potential and may indicate limitations to their domain of validity.
DOI: 10.6084/m9.figshare.15183383
title: An excited state coupled-cluster study on indigo dyes

description: In the present study, the domain-based pair natural orbital implementation of the similarity-transformed equation of motion method is employed to reproduce the vibrationally resolved absorption spectra of indigo dyes. After an initial investigation of multireference, basis set and implicit solvent effects, our calculated 0–0 transition energies are compared to a benchmark set of experimental absorption band maxima. It is established that the agreement between our method and experimental results is well below the desired 0.1 eV threshold in virtually all cases and that the shift in excitation energies upon chemical substitution is also well reproduced. Finally, the entire spectra of some of the main components of the Tyrian purple dye mixture are reproduced and it is found that our computed spectra match the experimental ones without an empirical shift.
DOI: 10.6084/m9.figshare.15183383.v3
title: An excited state coupled-cluster study on indigo dyes

description: In the present study, the domain-based pair natural orbital implementation of the similarity-transformed equation of motion method is employed to reproduce the vibrationally resolved absorption spectra of indigo dyes. After an initial investigation of multireference, basis set and implicit solvent effects, our calculated 0–0 transition energies are compared to a benchmark set of experimental absorption band maxima. It is established that the agreement between our method and experimental results is well below the desired 0.1 eV threshold in virtually all cases and that the shift in excitation energies upon chemical substitution is also well reproduced. Finally, the entire spectra of some of the main components of the Tyrian purple dye mixture are reproduced and it is found that our computed spectra match the experimental ones without an empirical shift.
DOI: 10.6084/m9.figshare.16529385.v2
title: The 130–360 GHz rotational spectrum of <i>syn</i>-2-cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N) – a molecule of astrochemical relevance

description: The analysis of <i>syn</i>-2-cyano-1,3-butadiene (C<sub>5</sub>H<sub>5</sub>N, <i>μ<sub>a</sub></i> = 3.2 D, <i>μ<sub>b</sub></i> = 2.3 D) in its ground vibrational state and two lowest-energy excited vibrational states, ν<sub>27</sub> (A<sup>″</sup>, 144 cm<sup>−1</sup>) and ν<sub>19</sub> (A′, 163 cm<sup>−1</sup>), in the 130–360 GHz frequency region has been completed. Nearly 4200 rotational transitions have been measured in the ground vibrational state for the first time, resulting in the determination of the spectroscopic constants for a complete octic Hamiltonian with low error. Analysis of the two lowest-energy, Coriolis-coupled fundamentals reported herein, each containing circa 3000 transitions, yielded two possible least-squares fitting solutions. Both solutions address perturbation between the two vibrational states, including resonances and several nominal interstate transitions, using four <i>a</i>-type and five <i>b</i>-type Coriolis coupling terms (Ga, GaJ, GaK, Fbc, Gb, GbK, Fac, and FacK, with or without FacJ). The energy separation between the two states, Δ<i>E</i><sub>27,19</sub> = 12.307065 (2) cm<sup>−1</sup>, agrees between the two solutions within their statistical uncertainties, giving confidence that this value is accurate despite the differing Coriolis-coupling terms. The precise rotational and distortion constants determined in this work provide the foundation for an astronomical search for <i>syn</i>-2-cyano-1,3-butadiene across the radio band.
DOI: 10.6084/m9.figshare.17206470
title: Theoretical study of the HCS<sup>+</sup>–H<sub>2</sub> van der Waals complex: potential energy surface, rovibrational bound states, and rotationally inelastic collisional cross sections

description: An accurate ground-state intermolecular potential energy surface (PES) was calculated for the HCS+–H2 complex. The surface was constructed from 3023 <i>ab initio</i> energies, computed with explicitly correlated coupled-cluster theory, CCSD(T)-F12b, with extrapolation to the complete basis set limit (VTZ-F12/VQZ-F12). The new 4D PES was used to compute rovibrational energies, rotational constants, and close-coupling quantum scattering calculations at low collision energies. A symmetry-adapted Lanczos algorithm was used to variationally compute the low-lying rovibrational bound states. Rotational constants for states of two isomers were determined from the energy levels and reported in hopes of motivating experiments. The rotationally inelastic state-to-state cross sections of HCS+ by collision with <i>para</i>- and <i>ortho</i>-H2 were computed and compared, and trends and propensities are discussed.
DOI: 10.6084/m9.figshare.17206470.v1
title: Theoretical study of the HCS<sup>+</sup>–H<sub>2</sub> van der Waals complex: potential energy surface, rovibrational bound states, and rotationally inelastic collisional cross sections

description: An accurate ground-state intermolecular potential energy surface (PES) was calculated for the HCS+–H2 complex. The surface was constructed from 3023 <i>ab initio</i> energies, computed with explicitly correlated coupled-cluster theory, CCSD(T)-F12b, with extrapolation to the complete basis set limit (VTZ-F12/VQZ-F12). The new 4D PES was used to compute rovibrational energies, rotational constants, and close-coupling quantum scattering calculations at low collision energies. A symmetry-adapted Lanczos algorithm was used to variationally compute the low-lying rovibrational bound states. Rotational constants for states of two isomers were determined from the energy levels and reported in hopes of motivating experiments. The rotationally inelastic state-to-state cross sections of HCS+ by collision with <i>para</i>- and <i>ortho</i>-H2 were computed and compared, and trends and propensities are discussed.
DOI: 10.6084/m9.figshare.15183383.v2
title: An excited state coupled-cluster study on indigo dyes

description: In the present study, the domain-based pair natural orbital implementation of the similarity-transformed equation of motion method is employed to reproduce the vibrationally resolved absorption spectra of indigo dyes. After an initial investigation of multireference, basis set and implicit solvent effects, our calculated 0–0 transition energies are compared to a benchmark set of experimental absorption band maxima. It is established that the agreement between our method and experimental results is well below the desired 0.1 eV threshold in virtually all cases and that the shift in excitation energies upon chemical substitution is also well reproduced. Finally, the entire spectra of some of the main components of the Tyrian purple dye mixture are reproduced and it is found that our computed spectra match the experimental ones without an empirical shift.