bluuebunny/crossref_metadata_2025_split huggingface dataset:
Formation of Eigen or Zundel Features at Protonated Water Cluster–Aromatic Interfaces
Authors: Prakash Muthuramalingam , Rudharachari Maiyelvaganan K. , Lakshman N. Giri , Mogren Al‐Mogren Muneerah , Hochlaf Majdi 
Published: June 2023

AbstractInterfacial interactions of protonated water clusters adsorbed at aromatic surfaces play an important role in biology, and in atmospheric, chemical and materials sciences. Here, we investigate the interaction of protonated water clusters ((H+H2O)n (where n=1–3)) with benzene (Bz), coronene (Cor) and dodecabenzocoronene (Dbc)). To study the structure, stability and spectral features of these complexes, computations are done using DFT‐PBE0(+D3) and SAPT0 methods. These interactions are probed by AIM electron density topography and non‐covalent interactions index (NCI) analyses. We suggest that the excess proton plays a crucial role in the stability of these model interfaces through strong inductive effects and the formation of Eigen or Zundel features. Also, computations reveal that the extension of the π‐aromatic system and the increase of the number of water molecules in the H‐bounded water network led to a strengthening of the interactions between the corresponding aromatic compound and protonated water molecules, except when a Zundel ion is formed. The present findings may serve to understand in‐depth the role of proton localized at aqueous medium interacting with large aromatic surfaces such as graphene interacting with acidic liquid water. Besides, we give the IR and UV‐Vis spectra of these complexes, which may help for their identification in laboratory.
Can mindfulness‐based interventions improve outcomes in cognitive‐behavioural therapy for chronic insomnia disorder in the general population? Systematic review and meta‐analysis
Authors: de Entrambasaguas Manuel , Díaz‐Silveira Cintia , Burgos‐Julián Francisco A. , Santed Miguel A. 
Published: June 2023

AbstractCognitive‐behavioural therapy for insomnia (CBT‐I) is the recommended first‐line therapy for adults with chronic insomnia disorder (ID), which is characterized by hyperarousal. Mindfulness‐based interventions (MBIs) are protocols aimed at stress reduction based on non‐judgmental attention control in the present moment. However, MBIs have been increasingly used without a clear scientific basis. The objective of this analysis was to examine if MBIs could be useful as a component of the CBT‐I therapeutic system through a systematic review and meta‐analysis of randomized controlled trials (RCTs) and non‐randomized studies (NRS) searched in PubMed, PsycINFO, Cochrane and WoS. The Insomnia Severity Index (ISI) was the primary outcome, while the Pittsburgh Sleep Quality Index (PSQI) and a composite sleep variable (CSV) were secondary outcomes. Thirteen articles corresponding to nine studies (three pragmatic RCTs, three explanatory RCTs and three NRS) were included. The omnibus test found that MBIs had a small to medium effect size on ISI nearing signification when comparing active control groups in the pretest–posttest period [Δ = 0.44, p = 0.07], a medium, non‐significant, effect size on PSQI [Δ = 0.52, p = 0.18], and a significant though small effect size on CSV [Δ = 0.05, p < 0.01]. No heterogeneity was found. The analysis could not demonstrate that MBIs, combined with CBT‐I components in some studies, positively affected ID in the general adult population. This was probably due to the lack of pragmatic designs and suitable measuring instruments. Recommendations are made for designing further studies to address these issues.
Salt Confined in MIL‐101(Cr)‐Tailoring the Composite Sorbents for Efficient Atmospheric Water Harvesting
Authors: Solovyeva Marina V. , Krivosheeva Irina V. , Gordeeva Larisa G. , Khudozhitkov Alexander E. , Kolokolov Daniil I. , Stepanov Alexander G. , Ludwig Ralf 
Published: June 2023

AbstractThe adsorption method for atmospheric water harvesting (AWH) is considered as a promising heat‐driven technology for potable water supply in arid regions. This research is focused on novel composite sorbents based on hygroscopic salts loaded in the pores of MIL‐101(Cr) developed for AWH. The composites based on LiCl, LiBr, CaCl2, and Ca(NO3)2 were synthesized and comprehensively studied by SEM, XRD, N2 adsorption, and thermogravimetric methods. We evidence that the CaCl2/MIL‐101(Cr) composite demonstrates a high net water uptake of 0.52–0.59 g_(H2O)/g_(composite) per cycle under conditions of Saudi Arabia and the Sahara desert as the reference regions with extra‐dry climate, which exceeds the appropriate values for other adsorbents. It is shown that water adsorption on the composite cannot be presented as a combination of the adsorption on the components, thus indicating a synergistic effect. A detailed characterization of water coordination, mobility, and hydrogen bonding within the confined CaCl2 hydrates and salt solution using solid‐state 2H NMR spectroscopy has been performed. It is established that pore confinement promotes a prolonged transition to a dynamically melted state of the hydrated salt and a notable decrease of the melting temperature, which facilitates the molecular transport of water and causes the alteration of sorption properties of CaCl2 inside MIL‐101 pores. Finally, the performance of AWH employing CaCl2/MIL‐101(Cr) was evaluated in terms of the fractions of water extracted and collected, and the specific energy consumption, demonstrating its high potential for AWH.
Detection of collision using optimized deep model and mitigation of collision using dolphin ant lion optimizer in wireless sensor network
Authors: Khare Akhil , K Selvakumar , Dugyala Raman 
Published: June 2023

SummaryWireless sensor network (WSN) comprises automatic sensors that are dispersed into a huge region. WSN is constructed from huge sensors, which is allocated to a particular task and the majority of task involves reporting and monitoring. However, as the network can be extended to several sensor nodes, there is a high chance of collision. Thus, this paper devises a novel technique for performing both collision detection and mitigation in WSN. Initially, the simulation of WSN is performed, and then the selection of cluster head is done using fractional artificial bee colony (FABC). Here, the network‐based parameter is extracted that involves received signal strength index (RSSI), priority level, delivery rate, and energy consumed. The deep recurrent neural network (DRNN) is adapted for collision detection. Here, the training of DRNN is done using lion crow search optimizer (LCSO). After collision detection, the collision mitigation is performed with a pre‐scheduling algorithm, namely dolphin ant lion optimizer (Dolphin ALO). Here, fitness is considered for collision mitigation that includes energy, sleep index (SI), delivery rate, priority level, E‐waste, and E‐save. The proposed method outperformed with the smallest energy consumption of 0.185, highest throughput of 0.815, highest packet delivery ratio (PDR) of 0.815, and highest collision detection rate of 0.930.
Building use‐inspired species distribution models: Using multiple data types to examine and improve model performance
Authors: Braun Camrin D. , Arostegui Martin C. , Farchadi Nima , Alexander Michael , Afonso Pedro , Allyn Andrew , Bograd Steven J. , Brodie Stephanie , Crear Daniel P. , Culhane Emmett F. , Curtis Tobey H. , Hazen Elliott L. , Kerney Alex , Lezama‐Ochoa Nerea , Mills Katherine E. , Pugh Dylan , Queiroz Nuno , Scott James D. , Skomal Gregory B. , Sims David W. , Thorrold Simon R. , Welch Heather , Young‐Morse Riley , Lewison Rebecca L. 
Published: June 2023

AbstractSpecies distribution models (SDMs) are becoming an important tool for marine conservation and management. Yet while there is an increasing diversity and volume of marine biodiversity data for training SDMs, little practical guidance is available on how to leverage distinct data types to build robust models. We explored the effect of different data types on the fit, performance and predictive ability of SDMs by comparing models trained with four data types for a heavily exploited pelagic fish, the blue shark (Prionace glauca), in the Northwest Atlantic: two fishery dependent (conventional mark‐recapture tags, fisheries observer records) and two fishery independent (satellite‐linked electronic tags, pop‐up archival tags). We found that all four data types can result in robust models, but differences among spatial predictions highlighted the need to consider ecological realism in model selection and interpretation regardless of data type. Differences among models were primarily attributed to biases in how each data type, and the associated representation of absences, sampled the environment and summarized the resulting species distributions. Outputs from model ensembles and a model trained on all pooled data both proved effective for combining inferences across data types and provided more ecologically realistic predictions than individual models. Our results provide valuable guidance for practitioners developing SDMs. With increasing access to diverse data sources, future work should further develop truly integrative modeling approaches that can explicitly leverage the strengths of individual data types while statistically accounting for limitations, such as sampling biases.
Developing a protocol to address co‐occurring mental health conditions in the treatment of eating disorders
Authors: Wade Tracey D. , Shafran Roz , Cooper Zafra 
Published: June 2023

AbstractObjectiveWhile co‐occurring mental health conditions are the norm in eating disorders, no testable protocol addresses management of these in psychotherapy.MethodThe literature on managing mental health conditions that co‐occur with eating disorders is outlined and reviewed.ResultsIn the absence of clear evidence to inform managing co‐occurring mental health conditions, we advocate for use of an iterative, session‐by‐session measurement to guide practice and research. We identify three data‐driven treatment approaches (focus solely on the eating disorder; multiple sequential interventions either before or after the eating disorder is addressed; integrated interventions), and the indications for their use. Where a co‐occurring mental health condition/s impede effective treatment of the eating disorder, and an integrated intervention is required, we outline a four‐step protocol for three broad intervention approaches (alternate, modular, transdiagnostic). A research program is suggested to test the usefulness of the protocol.DiscussionGuidelines that provide a starting point to improving outcomes for people with eating disorders that can be evaluated/researched are offered in the current paper. These guidelines require further elaboration with reference to: (1) whether any difference in approach is required where the co‐occurring mental health condition is a comorbid symptom or condition; (2) the place of biological treatments within these guidelines; (3) precise guidelines for selecting among the three broad intervention approaches when adapting care for co‐occurring conditions; (4) optimal approaches to involving consumer input into identifying the most relevant co‐occurring conditions; (5) detailed specification on how to determine which adjuncts to add.Public significanceMost people with an eating disorder also have another diagnosis or an underlying trait (e.g., perfectionism). Currently no clear guidelines exist to guide treatment in this situation, which often results in a drift away from evidence‐based techniques. This paper outlines data‐driven strategies for treating eating disorders and the accompanying comorbid conditions and a research program that can test the usefulness of the different approaches suggested.
Origin and genetic variability of populations of the invasive plant Rumex alpinus L. in the Giant (Krkonoše) Mountains
Authors: Jungová Michaela , Jurasová Vladimíra Müllerová , Čepková Petra Hlásná , Svobodová Leona Leišová , Svoboda Pavel , Hejcman Michal 
Published: June 2023

AbstractMonk's rhubarb, Rumex alpinus L. (R. alpinus), is a perennial plant native to the mountains of Central and Southern Europe. Currently, the distribution of R. alpinus has been partly affected by its utilization as a vegetable and a medicinal herb. In the mountains of the Czech Republic, it is considered an invasive plant, probably introduced into the Krkonoše Mountains by colonists from the Alps. This study's main aim was to verify whether R. alpinus was introduced into the Krkonoše Mountains by alpine colonists or whether it was anthropogenically introduced from the Carpathians. Furthermore, the genetic structure of native and introduced populations of R. alpinus was determined. For the evaluation of genetic structure, 417 samples of R. alpinus were collected from the Alps, Carpathians, Balkan, Pyrenees, and Czech Mountains. In total, 12 simple sequence repeat (SSR) markers were applied. The results of AMOVA showed a high 60% variation within populations, 27% variation among groups, and 13% among the population within groups. The overall unbiased gene diversity was high (̂ĥ = 0.55). The higher level of genetic differentiation among populations (FST = 0.35; p < .01) indicated restricted gene flow between populations. Compared to native populations, limited genetic variability was observed in the nonnative populations. It was concluded that local adaptation, low gene exchange, and genetic drift affected the genetic diversity of nonnative R. alpinus. The results support a genetic link between Alpine and Czech genotypes of R. alpinus, while the Carpathians genotypes corresponded to the Balkan genotype.
Elevational variation of spider and insect communities in the Swedish mountains
Authors: Måsviken Johannes , Marquina Daniel , Norén Karin , Dalén Love , Dalerum Fredrik 
Published: June 2023

AbstractMountain topography gives rise to often dramatic climate‐driven elevation gradients in primary productivity, which can generate substantial biodiversity variation. Therefore, mountain areas may be particularly useful for evaluating the ecological consequences of climate change. Arthropods are the most diverse animal phylum, which play important roles in most ecosystems. However, despite their ecological importance, we have limited information on how arthropods vary along elevation gradients. We investigated how taxonomic richness, taxonomic composition, and spatial structuring of spider and insect communities varied along elevation gradients and among three geographic locations in a mountain region of northern Sweden. The locations provided a latitude gradient spanning approximately 3° (from 62° N to 65° N), but were otherwise selected to contain similar environmental characteristics. Taxonomic richness of both spiders and insects declined monotonically with increasing elevation, and there were limited differences between the geographic locations in such declines. Taxonomic composition varied with elevation for both taxonomic groups, but also differed among the three sites. Linyphiid spiders were more widely distributed along the elevation gradients than other spider taxa, whereas a broad taxonomic range of insects occurred over almost all elevations. We observed nested as well as modular spatial distributions of both spider and insect communities along the elevation gradients. While the modular patterns suggest that species turnover has generated distinct communities at different elevations, some generalist species were still widespread throughout large parts of the gradients. Our results point to smaller differences among geographic locations than among taxonomic groups in how taxonomic richness and community structuring varied with elevation. We interpret these results as support for taxonomically specific adaptations to environmental conditions being important for structuring arthropod communities. We also suggest that climate‐driven changes to arthropod communities in mountain environments may be regulated by two not mutually exclusive processes, one in which generalist species may become more dominant and shift their ranges upward and one in which high‐elevation specialists may go extinct because of increasingly fragmented habitats.
Foliar elementome and functional traits relationships identify tree species niche in French Guiana rainforests
Authors: Sardans Jordi , Llusià Joan , Ogaya Romà , Vallicrosa Helen , Filella Iolanda , Gargallo‐Garriga Albert , Peguero Guille , Van Langenhove Leandro , Verryckt Lore T. , Stahl Clément , Courtois Elodie A. , Bréchet Laëtitia M. , Tariq Akash , Zeng Fanjiang , Alrefaei Abdulwahed Fahad , Wang Weiqi , Janssens Ivan A. , Peñuelas Josep 
Published: June 2023

AbstractBiogeochemical niche (BN) hypothesis aims to relate species/genotype elemental composition with its niche based on the fact that different elements are involved differentially in distinct plant functions. We here test the BN hypothesis through the analysis of the 10 foliar elemental concentrations and 20 functional‐morphological of 60 tree species in a French Guiana tropical forest. We observed strong legacy (phylogenic + species) signals in the species‐specific foliar elemental composition (elementome) and, for the first time, provide empirical evidence for a relationship between species‐specific foliar elementome and functional traits. Our study thus supports the BN hypothesis and confirms the general niche segregation process through which the species‐specific use of bio‐elements drives the high levels of α‐diversity in this tropical forest. We show that the simple analysis of foliar elementomes may be used to test for BNs of co‐occurring species in highly diverse ecosystems, such as tropical rainforests. Although cause and effect mechanisms of leaf functional and morphological traits in species‐specific use of bio‐elements require confirmation, we posit the hypothesis that divergences in functional‐morphological niches and species‐specific biogeochemical use are likely to have co‐evolved.
Rh(III)‐Catalyzed Annulative Coupling of Sulfoxonium Ylides with Allyl Acetates: Generation of Bicyclo[4.1.0]heptan‐2‐ones
Authors: Chi Wei , Liu Hao , Luo Yi , Dong Lin 
Published: June 2023

AbstractA highly efficient Rhodium(III)‐catalyzed annulative coupling was developed for generating bicyclo[4.1.0] heptan‐2‐ones from sulfoxonium ylides and allyl acetates under mild conditions. This cascade reaction is versatile to construct cyclopropanes, and the starting materials are stable and easily obtainable.
Synthesis of an Octacyclic C60 Fragment
Authors: Yoshida Naruhiro , Akasaka Ryuhei , Imai Tomoya , Schramm Michael P. , Yamaoka Yousuke , Amaya Toru , Iwasawa Tetsuo 
Published: June 2023

AbstractFragments of buckminsterfullerene (C60) include the monumental three compounds corannulene, sumanene, and truxene. These three have served as leading molecules in ongoing research for curved, fused, and π‐extended polyaromatic materials. Achieving more structural variations that join the ranks of these three archetypes remains challenging. Herein we report synthesis of an octacyclic hydrocarbon that is an unexplored C60‐fragment, namely, a 4,11‐dihydrodiindeno[7,1,2‐ghi:7′,1′,2′‐pqr]chrysene (C28H16, which we named Metelykene). The key to success was solution‐compatible synthesis in which double pentagonal rings flank hexagonal ones. This solution‐phase approach, coupled with the resulting non‐planar π‐conjugation, is so straightforward that it offers an entry to a derivative such as a cardo aromatic monomer.
Chronic pain is no more prevalent in people living with HIV than in their uninfected counterparts in South Africa
Authors: Kamerman Peter R. 
Published: June 2023

AbstractBackgroundThere are few studies on chronic pain prevalence in people living with HIV, and there are no studies comparing chronic pain prevalence in an HIV‐infected group (HIV+) to that found in an uninfected group (HIV−) in the same population. This study was undertaken to (1) estimate the chronic pain prevalence in HIV+ individuals and (2) compare chronic pain prevalence between HIV+ and HIV− groups in a population.MethodsIndividuals ≥15 years old were recruited using multi‐stage probability sampling in the 2016 South African Demographic and Health Survey. In an interview, participants were asked whether they currently had pain or discomfort, and if so, whether that pain or discomfort had persisted for at least 3 months (operational definition of chronic pain). Blood samples were taken from a volunteering sub‐sample for HIV testing.ResultsA total of 6584 of 12,717 eligible individuals answered the questionnaire and were tested for HIV. Mean age: 39.1 years (95% confidence interval [CI]: 38.3–39.9), per cent female: 55% (95% CI: 52–56) and tested HIV+: 19% (95% CI: 17–20). The prevalence of chronic pain was 19% (95% CI: 16–23) in the HIV+ group, which was similar to that found in the HIV− group (20% [95% CI: 18–22]; odds ratio [adjusted for age, sex, socio‐economic status] = 0.93 [95% CI: 0.74–1.17], p‐value = 0.549).ConclusionThe prevalence of chronic pain in South Africans living with HIV was approximately 20%, and having HIV was not associated with an increased risk of chronic pain.SignificanceUsing data from a large, national, population‐based study in South Africa, I show for the first time that the prevalence of chronic pain in that population did not differ materially between the part of the population that was living with HIV compared with their uninfected counterparts (both approximately 20%). These findings run counter to the dogma that there is a greater risk of having pain in people living with HIV.
Environmental Concentrations of the Type 2 Diabetes Medication Metformin and Its Transformation Product Guanylurea in Surface Water and Sediment in Ontario and Quebec, Canada
Authors: Littlejohn Cameron , Renaud Justin B. , Sabourin Lyne , Lapen David R. , Pappas Jane J. , Tuteja Bindu , Hughes Dianne , Ussery Erin , Yeung Ken K.-C. , Sumarah Mark W. 
Published: June 2023

Abstract
Metformin, used to treat Type 2 diabetes, is the active ingredient of one of the most prescribed drugs in the world, with over 120 million yearly prescriptions globally. In wastewater-treatment plants (WWTPs), metformin can undergo microbial transformation to form the product guanylurea, which could have toxicological relevance in the environment. Surface water samples from 2018 to 2020 and sediment samples from 2020 were collected from six mixed-use watersheds in Quebec and Ontario, Canada, and analyzed to determine the metformin and guanylurea concentrations at each site. Metformin and guanylurea were present above their limits of quantification in 51.0% and 50.7% of all water samples and in 64% and 21% of all sediment samples, respectively. In surface water, guanylurea was often present at higher concentrations than metformin, while the inverse was true in sediment, with metformin frequently detected at higher concentrations than guanylurea. In addition, at all sites influenced solely by agriculture, concentrations of metformin and guanylurea were &lt;1 µg/L in surface water, suggesting that agriculture is not a significant source of these compounds in the investigated watersheds. These data suggest that WWTPs and potentially septic system leaks are the most likely sources of the compounds in the environment. Guanylurea was detected at many of these sites above environmental concentrations of concern, where critical processes in fish may be affected. Due to the scarcity of available ecotoxicological data and the prominence of guanylurea across all sample sites, there is a need to perform more toxicological investigations of this transformation product and revisit regulations. The present study will help provide toxicologists with environmentally relevant concentration ranges in Canada. Environ Toxicol Chem 2023;42:1709–1720. © 2023 His Majesty the King in Right of Canada and The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC. Reproduced with the permission of the Minister of Agriculture and Agri-Food Canada.