bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chain Walking in the AlCl3 Catalyzed Cationic Polymerization of α‐Olefins
Authors: Rahbar Amene , Falcone Bruno , Pareras Gerard , Nekoomanesh‐Haghighi Mehdi , Bahri‐Laleh Naeimeh , Poater Albert 
Published: December 2022

AbstractContinuing efforts aimed at performing the 1‐decene polymerization to low viscosity polyalphaolefins (PAO)s using a less hazardous AlCl3 catalyst than boron‐based analogs, the basic mechanisms of this system were revealed in this research. In this aspect, neat AlCl3 and AlCl3/toluene were carried out to perform 1‐decene polymerizations. Microstructure analyses of the as‐synthesized oils revealed low molecular weight (708 vs. 1529 g/mol), kinematic viscosity (KV100=6.4 vs. 22.2 cSt), and long chain branching (82.1 vs. 84.7) of PAO from the system containing toluene solvent. Furthermore, NMR analysis confirmed various types of short chain branch (SCB) with the inclusion of toluene ring in the structure of final PAO chains. Then, to shed light on the basic mechanisms of cationic polymerization of 1‐decene including: i) chain initiation, ii) chain transfer to the monomer, iii) isomerization of the carbocation via a chain walking mechanism (causes different SCB length), and iv) binding of toluene ring to the propagating PAO chain (to yield aromatic containing oligomers), molecular modeling at the DFT level was employed. The energies obtained confirmed the ease of carbocation isomerization and chain transfer mechanisms in toluene medium, which well confirms the highly branched structure experimentally obtained for related PAO.
How long does a single oral dose of cannabidiol persist in plasma? Findings from three clinical trials
Authors: McCartney Danielle , Kevin Richard C. , Suraev Anastasia S. , Sahinovic Ayshe , Doohan Peter T. , Bedoya‐Pérez Miguel A. , Grunstein Ronald R. , Hoyos Camilla M. , McGregor Iain S. 
Published: December 2022

AbstractA growing number of clinical trials (CTs) are investigating the therapeutic potential of cannabidiol (CBD), a non‐intoxicating phytocannabinoid found in Cannabis sativa. These CTs often use crossover experimental designs requiring ‘washout’ (clearance) periods. However, the length of time CBD persists in plasma (its ‘window of detection’) is unclear and could be significant. Indeed, the structurally related phytocannabinoid, Δ9‐tetrahydrocannabinol (THC), has a long window of detection in plasma. We investigated the extent to which CBD and its major metabolites persist in plasma. Data from three CTs that measured plasma cannabinoid concentrations ≥7 days after administering a single oral dose of CBD were pooled. The CBD doses were as follows: CT #1: 300 mg; CT #2: 200 mg (and 10 mg THC); and CT #3: 15, 300 and 1500 mg (one per treatment session). Thirty‐two participants were included in the analysis, 17 of whom (from CT #3) provided repeated measures. Overall, 0% (15 mg), 60% (200 mg), 28% (300 mg) and 100% (1500 mg) of participants had detectable concentrations (i.e., >0.25 ng·ml−1) of CBD in plasma ≥7 days post‐treatment (some, several weeks post‐treatment). A zero‐inflated negative binomial mixed‐effects regression analysis (R2m = 0.44; R2c = 0.73) predicted that, on average, a 13 day washout period would reduce plasma CBD concentrations to ‘zero’ (i.e., <0.25 ng·ml−1) if a single oral dose of 300 mg was consumed. Higher doses require longer washout periods; concomitant medications may also affect clearance. In conclusion, CBD has a long window of detection in plasma. Crossover studies involving CBD should, therefore, be conducted with caution, particularly when higher doses and/or chronic dosing regimens are used.
Model selection in occupancy models: Inference versus prediction
Authors: Stewart Peter S. , Stephens Philip A. , Hill Russell A. , Whittingham Mark J. , Dawson Wayne 
Published: December 2022

AbstractOccupancy models are a vital tool for ecologists studying the patterns and drivers of species occurrence, but their use often involves selecting among models with different sets of occupancy and detection covariates. The information‐theoretic approach, which employs information criteria such as Akaike's information criterion (AIC) is arguably the most popular approach for model selection in ecology and is often used for selecting occupancy models. However, the information‐theoretic approach risks selecting models that produce inaccurate parameter estimates due to a phenomenon called collider bias, a type of confounding that can arise when adding explanatory variables to a model. Using simulations, we investigated the consequences of collider bias (using an illustrative example called M‐bias) in the occupancy and detection processes of an occupancy model, and explored the implications for model selection using AIC and a common alternative, the Schwarz criterion (or Bayesian information criterion, BIC). We found that when M‐bias was present in the occupancy process, AIC and BIC selected models that inaccurately estimated the effect of the focal occupancy covariate, while simultaneously producing more accurate predictions of the site‐level occupancy probability than other models in the candidate set. In contrast, M‐bias in the detection process did not impact the focal estimate; all models made accurate inferences, while the site‐level predictions of the AIC/BIC‐best model were slightly more accurate. Our results show that information criteria can be used to select occupancy covariates if the sole purpose of the model is prediction, but must be treated with more caution if the purpose is to understand how environmental variables affect occupancy. By contrast, detection covariates can usually be selected using information criteria regardless of the model's purpose. These findings illustrate the importance of distinguishing between the tasks of parameter inference and prediction in ecological modeling. Furthermore, our results underline concerns about the use of information criteria to compare different biological hypotheses in observational studies.
Predation risk estimated on live and artificial insect prey follows different patterns
Authors: Zvereva Elena L. , Kozlov Mikhail V. 
Published: December 2022

AbstractModels mimicking prey organisms are increasingly used in ecological studies, including testing fundamental ecological and evolutionary theories. The general consensus is that predation risk estimated on artificial models may not quantitatively correspond to predation pressure on live prey, but it still can be used in various comparisons. We tested whether the use of live and artificial prey reveals the same patterns of variation in predation risk. We exposed live prey (blowfly larvae and puparia) and plasticine models of blowfly puparia in two boreal forest sites, both openly and in ant‐ and bird‐exclusion treatments, and we quantified attacks by both avian and invertebrate predators. Bird attack rates were always higher on live puparia than on their plasticine models, but the magnitude of this difference declined from 8.4‐fold in early summer to 2‐fold in mid‐ and late‐summer. We attribute these changes to different responses to prey by experienced adult birds that dominate the bird communities in early summer versus explorative juvenile birds that are abundant later in the season. Invertebrate daily predation rates on maggots decreased from 56% in early summer to 28% in late summer, but invertebrate attacks on plasticine models showed no seasonal changes. Overall, invertebrate predation on maggots was 67‐fold greater than their predation on models. Observations showed that wood ants did not attack plasticine models and did not leave on them any damage marks. Estimates based on artificial prey indicate a much greater role of bird predation than invertebrate predation, while estimates based on live prey suggest the opposite pattern. Thus, using live and artificial prey may lead to different conclusions about relative importance of different predator groups in a locality. Moreover, for both avian and invertebrate predators, predation risk based on artificial and live prey shows different seasonal changes and may potentially demonstrate different spatial patterns.
Spatiotemporal distributions of mammals occurring in an agro‐prairie ecosystem
Authors: Palomo‐Munoz Gabriela , Werdel Ty J. , Piper Colleen W. , Peek Matthew S. , Ricketts Andrew M. , Ahlers Adam A. 
Published: December 2022

AbstractAnthropogenic activities since the European colonization of the North American Great Plains have drastically altered landscape composition and configuration, subsequently affecting native biodiversity. These contemporary human‐modified landscapes may affect mammal species' distributions, diel activity patterns, habitat use, and interspecific interactions, though a better understanding of these effects on mammals occurring in remaining prairie landscapes is needed. To fill this gap, we surveyed 381 randomly selected sites in 2018, 2019, and 2020 using motion‐sensing camera traps across the western part of the US state of Kansas (7,160,077 ha). Sites were separated by ≥2 km ( = 8.16 km, SD = 3.61), and cameras were secured to a metal post 40 cm above ground and randomly oriented toward the north or south. We placed an olfactory attractant (mixture of skunk essence and petroleum jelly) on a wooden stake 3 m in front of each camera. Cameras were in place at each site for 28 consecutive days for each year. We manually identified all mammal species detected at each site, collating these data into a database that included taxonomic information for 14 families of mammals (Antilocapridae, Bovidae, Canidae, Cervidae, Cricetidae, Dasypodidae, Didelphidae, Erethizontidae, Felidae, Heteromyidae, Leporidae, Mephitidae, Mustelidae, Procyonidae, Sciuridae, and Muridae) comprising 28 total species. We recorded 31,178 mammal photographs (nonindependent events) over 27,954 camera trap nights during 2018 (n = 10,351), 2019 (n = 9478), and 2020 (n = 8125). Additionally, we included the time and date of each photocapture. Moreover, we gathered survey‐specific data useful for modeling species‐specific detection along with site‐level habitat composition data taken at each site each year. These data will be useful for examining habitat use, species distributions, diel activity patterns, and spatiotemporal interactions between species and across guilds of mammals occurring in a rapidly changing agro‐prairie ecosystem. There are no copyright restrictions, but we ask researchers to cite this paper when using these data for publication.
Genetic aetiology distribution of 398 foetuses with congenital heart disease in the prenatal setting
Authors: Yi Tong , Hao Xiaoyan , Sun Hairui , Zhang Ye , Han Jiancheng , Gu Xiaoyan , Sun Lin , Liu Xiaowei , Zhao Ying , Guo Yong , Zhou Xiaoxue , He Yihua 
Published: December 2022

AbstractAimsCopy number variant‐sequencing (CNV‐seq) and exome sequencing (ES) have been used as powerful tools in understanding the role of genetic variants in congenital heart diseases (CHDs). A few previous large cohort studies have utilized CNV‐seq and ES to investigate prenatally diagnosed CHD. Here, we sought to determine the value of CNV‐seq and ES for genetic evaluation of foetal CHDs.Methods and resultsWe recruited 398 pregnant women diagnosed with CHDs between 8 January 2017 and 30 November 2020. CNV‐seq and ES were performed on foetal and parent samples. CHD cases were classified following the guidelines of the International Paediatric and Congenital Cardiac Code and the Tenth and Eleventh Revisions of the International Classification of Diseases. Data on aneuploids (AUP), pathogenic CNVs (pCNVs), and single nucleotide variants (SNVs) were collected and compared, following appropriate procedures. We identified genetic abnormalities in 129 (32.41%) foetuses. These abnormalities included AUP (10.80%), pCNVs (13.32%), and SNVs (8.04%). ES analysis yielded higher SNVs in cases without AUP or pCNVs. Non‐isolated CHDs were associated with higher genetic abnormalities than isolated CHDs, mainly due to AUP differences between the two groups. The prevalence of genetic defects was the highest in foetuses with atrioventricular septal defects (AVSD), left ventricular outflow tract obstruction (LVOTO), and conotruncal defects (CTD). AVSD and anomalies of atrioventricular junctions and valves were associated with AUP abnormalities. CTD, anomalies of extrapericardial arterial trunks, and anomalies of the ventricular outflow tracts were the most common CHD categories diagnosed using CNVs. The most common CHDs associated with single ventricle (SV) abnormalities were heterotaxy (Hex) (14.89%), LVOTO (14.58%), and ventricular septal defect (VSD) (26.67%, 4/15). Although the ES yields were higher than CNV‐seq for VSD (44.4%, 4/9), LVOTO (20%, 7/35), Hex (14.89%, 7/47), and CTD (9.1%, 11/121), its diagnostic yield did not increase for SV (6.7%, 1/15), AVSD (3.8%, 1/26), or right ventricular obstruction defects (2.6%, 1/38). The most common mutations were observed in KMT2D, CHD7, and NOTCH1.ConclusionsTo our knowledge, this is the largest cohort study to investigate the incidence of SNVs using ES in foetal CHD. CNV‐seq and ES identified genetic abnormalities in nearly 1/3 of foetal CHD cases. Thus, CNV‐seq and ES can provide clinically relevant information for pregnancy management.
Relationship between haemodynamic indicators and haemogram in patients with heart failure
Authors: Oh Takuya , Ogawa Kazuo , Nagoshi Tomohisa , Minai Kosuke , Ogawa Takayuki , Kawai Makoto , Yoshimura Michihiro 
Published: December 2022

AbstractAimsPulmonary congestion, reduced cardiac output, neurohumoral factor activation, and decreased renal function associated with decreased cardiac function may have various effects on haemograms. The relationship between these factors and haemograms in patients with heart failure has not been sufficiently investigated. Recently, it was suggested that the lungs are an important site for platelet (Plt) biosynthesis and that it is necessary to study the relationship between pulmonary congestion and Plt count in heart failure in detail. In this study, we examined the relationship between various haemodynamic indicators and haemograms in detail using statistical analyses.Methods and resultsA total of 345 patients who underwent cardiac catheterization for the evaluation of cardiac function between 1 January 2015 and 31 December 2020 were included in the study. Haemodynamic indices, including left ventricular end‐diastolic pressure (LVEDP) and cardiac index (CI), were measured. Plasma noradrenaline (Nor) concentration, estimated glomerular filtration rate (eGFR), white blood cell (WBC) count, haemoglobin (Hb) level, and Plt count were measured using blood samples collected at the same time. Structural equation modelling (SEM) was used to examine the relationship between LVEDP, CI, plasma Nor concentration, eGFR, WBC count, Hb level, and Plt count. Bayesian inference using SEM was performed for Plt count. A total of 345 patients (mean age: 66.0 ± 13.2 years) were included in this study, and 251 (73%) patients were men. After simple and multiple regression analyses, path diagrams were drawn and analysed using SEM. LVEDP showed a significant negative relationship with Plt count (standardized estimate: −0.129, P = 0.015), and CI showed a significant negative relationship with Hb level (standardized estimate: −0.263, P < 0.001). Plasma Nor concentration showed a significant positive relationship with WBC count (standardized estimate: 0.165, P = 0.003) and Plt count (standardized estimate: 0.198, P < 0.001). The eGFR had a significant positive relationship with Hb level (standardized estimate: 0.274, P < 0.001). Bayesian inference using SEM revealed no relationship between LVEDP and Hb level or WBC count but a significant negative relationship between LVEDP and Plt count.ConclusionsLVEDP, CI, plasma Nor concentration, and eGFR were related to WBC count, Hb level, and Plt count in patients with heart failure. There was a strong relationship between elevated LVEDP and decreased Plt count, suggesting that pressure overload on the lungs may interfere with the function of the lung as a site of Plt biosynthesis.
Mechanistic Studies on the Bidentate Lewis Acid Catalyzed Domino Inverse Electron‐Demand Diels‐Alder/Thiol Transfer Reaction
Authors: Beeck Sebastian , Wegner Hermann A. 
Published: December 2022

AbstractRecently, we presented a novel enantioselective multicomponent reaction of phthalazines, aldehydes and thiols accessing thioether‐substituted 1,2‐dihydronaphthalenes. Herein, a comprehensive investigation on the mechanism of this domino inverse electron‐demand (IEDDA)/thiol transfer reaction is disclosed. In particular, the origin of the stereochemical outcome has been rationalized, as well as structural requirement of the thiol component for an efficient transfer step. Detailed NMR spectroscopy studies uncover a competing reaction pathway resulting in N,S‐acetals. In addition, DFT computations illuminate the mechanism of the group transfer process and enable an explanation for the formation of the most dominant by‐product. The insights allow a direct prediction of suitable substrates for the reaction and provide the basis for further developments of novel stereoselective domino reactions.
Quinoxalin‐2(1H)‐ones: Chemical Synthesis, Fluorescence Properties and Applications
Authors: Renault Kévin , Renard Pierre‐Yves , Sabot Cyrille 
Published: December 2022

AbstractPhotophysical properties of quinoxalin‐2(1H)‐ones have long been neglected, in particular compared with those of coumarins, their oxygenated counterparts, despite their complementarity in terms of absorbance and fluorescence windows. This review provides first an overview of the synthesis of quinoxalin‐2(1H)‐ones, focusing on the most recent contributions. Fluorescence properties of quinoxalin‐2(1H)‐ones and of their π‐extended derivatives are tackled through the description of a series of examples and applications, including chemosensing and biosensing.
Enrichment of homoacetogens converting H2/CO2 into acids and ethanol and simultaneous methane production
Authors: He Yaxue , Cassarini Chiara , Lens Piet N.L. 
Published: December 2022

AbstractAn anaerobic granular sludge was enriched to utilize H2/CO2 in a continuous gas‐fed up‐flow anaerobic sludge reactor by applying operating conditions expected to produce acetic acid, butyric acid, and ethanol. Three stages of fermentation were found: Stage I with acetic acid accumulation with the highest concentration of 35 mM along with a pH decrease from initial 6 to 4.5. In Stage II, H2/CO2 was replaced by 100% H2 to induce solventogenesis, whereas butyric acid was produced with the highest concentration of 2.5 mM. At stage III with 10 µM tungsten (W) addition, iso‐valeric acid, valeric acid, and caproic acid were produced at pH 4.5–5.0. In the batch tests inoculated with the enriched sludge taken from the bioreactor (day 70), however, methane production occurred at pH 6. Exogenous 15 mM acetate addition enhanced both the H2 and CO2 consumption rate compared to exogenous 10, 30, and 45 mM acetate by the enriched sludge. Exogenous acetate was failed to be converted to ethanol using H2 as electron donor by the enriched acetogens.
Biological functions of compounds from Bacillus subtilis and its subspecies, Bacillus subtilis natto
Authors: Miyazawa Taiki , Abe Chizumi , Bhaswant Maharshi , Ikeda Ryoichi , Higuchi Ohki , Miyazawa Teruo 
Published: December 2022

AbstractNatto, fermented food produced by Bacillus subtilis natto (B. subtilis natto), is widely consumed around the world, and its potential health functions are attracting attention. Natto has been reported to have a variety of bioactive compounds such as levan, menaquinone‐7, nattokinase, and others. Such bioactive compounds produced by B. subtilis natto are deeply involved in the function of natto, because they are consequently contained in natto. This review summarizes bioactive compounds and its functions of (1) B. subtilis and its subspecies, (2) B. subtilis natto. Overall, natto is a natural source of bioactive compounds and is expected to be applied to functional foods.
Comparison of the effects of different infant formulas on the growth and development and intestinal flora of infants
Authors: Yin Ning , Liu Xinran , Zhang Xiaoxuan , Wen Jing , Ma Huijuan , Yin Xueqian , Xie Craig‐Kui , Hou Yanmei , Wang Junbo 
Published: December 2022

AbstractThe purpose of this study was to compare the effects of different infant formulas on the growth and development, sleep, allergy symptoms, and intestinal flora of infants. A total of 428 infants participated in the study. Breastfeeding (BF) was used as the control, and the remaining subjects were randomly assigned to the full goat milk protein formula group (FGM), partial goat milk protein formula group (PGM), and cow milk formula group (M). During the 6‐month feeding experiment, data on the growth, sleep, allergy symptoms, and intestinal flora of infants were collected using questionnaires, anthropometric measurements, and biochemical examinations. In general, the basic information of the participants was consistent among the groups. There were no differences in infant weight, length, or head circumference among the groups (p > .05). The sleep time of infants in the formula‐fed groups was longer than that of the breastfeeding group at baseline (p < .05), but there were no differences at mid‐term or outcome (p > .05). The incidence of allergic symptoms continued to decrease, and the total scores of allergic symptoms did not differ among the groups (p > .05). The relative abundance of intestinal Bifidobacteriaceae in the PGM group was lower than that in the other groups (p < .05). There was no difference in the β‐diversity of intestinal flora between formula‐fed and breastfed infants (p > .05). There were strong correlations in the composition of the main intestinal flora at the family level between the formula and breastfeeding groups. This study showed that within 6 months of feeding, there were no significant differences in the growth and development, allergic symptoms, or intestinal flora of the infants among the groups.
A comprehensive ecological flow calculation for a small hydropower development river: A case study
Authors: Qu Jiamei , Ding Xiaowen , Sang Jing , Fenech Adam , Zhang Xinyi 
Published: December 2022

AbstractSmall hydropower projects play a significant role in supplying clean energy and promoting economic development all around the world. The calculation of a river's ecological flow, that is, not only the quantity but also the quality of flowing water, in the watershed where small hydropower projects are located play an important role in scientifically guiding the discharge of small hydropower stations in the upper reaches of the river. By combining Gini coefficient with hydrological variation diagnosis, this study provided a novel approach to test the randomness of hydrological series and assess the evenness of runoff distribution. Furthermore, this study is the first attempt to calculate ecological flow for two separate periods (flood and low‐water periods), and thus is able to better reflect annual runoff variations. In the meantime, the Tennant method was improved by introducing of monthly runoff coefficient and median substitution, and integrating four other hydrological methods (empirical method, Qp method, annual distribution method and minimum monthly average measured runoff method) into the comprehensive calculation and analysis. The above methods were applied to the ecological base flow calculation for a small hydropower project in Dongjiang River basin of China. Through comprehensive and comparative analysis, better applicability was demonstrated by the improved Tennant method and the annual distribution method. The recommended values of ecological base flow for each month were derived at the range of 407–431 m3/s during the flood period and 179–239 m3/s during the low‐water period. This study demonstrated that the method could meet the ecological flow calculation requirements for river ecosystem and provide scientific basis for the delineation of ecological flow thresholds, and thereby ensure the healthy and sustainable development of small hydropower and the healthy river aquatic ecosystem.