bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dinitrogen Activation by Heteronuclear Metal Carbide Cluster Anions Y1‐3CoC1,2−: An Experimental and DFT Study
Authors: Wang Meng‐Meng , Wang Ming , Ji Zhi‐Wen , Huang Xiao‐Meng , He Han‐Bin , Ding Xun‐Lei , Ma Jia‐Bi 
Published: December 2023

AbstractMass spectrometry was used to observe the reactions between Y−Co heteronuclear metal carbide cluster anions Y1‐3CoC1,2− and N2 at room temperature. Y2CoC1,2− can produce Co ejection products, in which Y2CoC− also has N2 association products; YCoC2− and Y3CoC− only generate N2 association products, while YCoC− and Y3CoC2− are inert to N2. Detailed reaction pathways were obtained through density functional theory calculations, which reasonably explain the experimental phenomena. Co is superior to Y as the electrophilic reaction site in the clusters and is the preferential initial adsorption site for N2. Some crucial steps were identified, including N−N dissociation, CC−N formation, C−CN dissociation, and C−N formation. The energy barriers of these steps are closely related to the coordination mode of N/N2 and C/C2 in clusters. Two indicators, the N−N bond length and the Mayer bond order, were utilized to describe the activation degree of the N−N bond. Analyses on the density of states and the frontier molecular orbitals reveal the electronic structures of key intermediates for N−N dissociation. The reaction mechanisms of N2 activation on Y−Co carbide clusters obtained may lay a preliminary foundation for the further development of catalysts for nitrogen reduction reaction (NRR).
Functional Flow Cytometry to Predict PD‐L1 Conformational Changes
Authors: Salvia Roser , Rico Laura G. , Ward Michael D. , Bradford Jolene A. , Petriz Jordi 
Published: December 2023

AbstractThe programmed cell death protein 1/programmed cell death protein ligand 1 (PD‐1/PD‐L1) axis is one of the most widely recognized targets for cancer immunotherapy. Importantly, PD‐L1 conformational changes can hinder target binding when living cells are used. Antibody affinity, equilibrium binding, association and dissociation rates, and other affinity‐related constants are fundamental to ensure target saturation. Here, PD‐L1 changes in conformation and their potential impact on PD‐L1 function and mutation are explored. Specifically, we present detailed flow cytometry procedures to analyze PD‐L1 reactivity in myeloid‐derived suppressor cells (MDSCs). This approach can also be used to study the contribution of protein conformational changes in living cells. © 2023 Wiley Periodicals LLC.Basic Protocol 1: Sample preparation for PD‐L1+ myeloid‐derived suppressor cells detection by flow cytometryBasic Protocol 2: Protocol preparation, sample acquisition, and gating strategy for flow cytometric screening of PD‐L1+ myeloid‐derived suppressor cells in patients with lung cancerSupport Protocol 1: Bioinformatic tools for the analysis of flow cytometric data
Are all copepods the same? Variation in copepod stoichiometry with taxonomy, ontogeny, latitude, and habitat
Authors: Herstoff Emily M. , Meunier Cédric L. , Boersma Maarten , Baines Stephen 
Published: December 2023

AbstractCopepods are the most abundant metazoans on Earth, driving cycles of key elements in aquatic systems, most prominently carbon (C), nitrogen (N), and phosphorus (P). One key factor determining nutrient cycling is copepod somatic stoichiometry, which can reflect ecological strategy. We conducted a systematic review that updates the seminal work of Båmstedt (1986) by summarizing the effects of latitude, habitat, life history stage, and taxonomy on C:N, C:P, and N:P ratios of field‐collected copepods. We found that differences among copepod families accounted for the greatest variation, with the Rhincalanidae and Diaptomidae being particularly C‐rich, while the Calanidae were more N‐ and P‐rich. Copepod C:N was higher in inland waters compared with animals from marine environments in both copepodites and adult females, matching the higher C content of seston in many inland freshwaters. For both copepodites and adult females, mid‐latitude animals had higher C:N and C:P than high‐latitude animals, which matched predictions based on the availability of nutrients or adaptation to cold environments. More data must be gathered to fill gaps in our knowledge of copepod stoichiometry, focusing particularly on younger life stages, non‐calanoids, low and high latitudes, the southern hemisphere, and estuarine and some inland water habitats, including large lakes. Such information will help better parameterize models of aquatic ecosystems and improve our understanding of how copepods influence consumer‐driven nutrient cycling and food web dynamics.
Identifying invasive species threats, pathways, and impacts to improve biosecurity
Authors: Lieurance Deah , Canavan Susan , Behringer Donald C. , Kendig Amy E. , Minteer Carey R. , Reisinger Lindsey S. , Romagosa Christina M. , Flory S. Luke , Lockwood Julie L. , Anderson Patti J. , Baker Shirley M. , Bojko Jamie , Bowers Kristen E. , Canavan Kim , Carruthers Kelly , Daniel Wesley M. , Gordon Doria R. , Hill Jeffrey E. , Howeth Jennifer G. , Iannone Basil V. , Jennings Lucas , Gettys Lyn A. , Kariuki Eutychus M. , Kunzer John M. , Laughinghouse H. Dail , Mandrak Nicholas E. , McCann Sara , Morawo Tolulope , Morningstar Cayla R. , Neilson Matthew , Petri Tabitha , Pfingsten Ian A. , Reed Robert N. , Walters Linda J. , Wanamaker Christian 
Published: December 2023

AbstractManaging invasive species with prevention and early‐detection strategies can avert severe ecological and economic impacts. Horizon scanning, an evidence‐based process combining risk screening and consensus building to identify threats, has become a valuable tool for prioritizing invasive species management and prevention. We assembled a working group of experts from academic, government, and nonprofit agencies and organizations, and conducted a multi‐taxa horizon scan for Florida, USA, the first of its kind in North America. Our primary objectives were to identify high‐risk species and their introduction pathways, to detail the magnitude and mechanism of potential impacts, and, more broadly, to demonstrate the utility of horizon scanning. As a means to facilitate future horizon scans, we document the process used to generate the list of taxa for screening. We evaluated 460 taxa for their potential to arrive, establish, and cause negative ecological and socioeconomic impacts, and identified 40 potential invaders, including alewife, zebra mussel, crab‐eating macaque, and red swamp crayfish. Vertebrates and aquatic invertebrates posed the greatest invasion threat, over half of the high‐risk taxa were omnivores, and there was high confidence in the scoring of high‐risk taxa. Common arrival pathways were ballast water, biofouling of vessels, and escape from the pet/aquarium/horticulture trade. Competition, predation, and damage to agriculture/forestry/aquaculture were common impact mechanisms. We recommend full risk analysis for the high‐risk taxa; increased surveillance at Florida's ports, state borders, and high‐risk pathways; and periodic review and revision of the list. Few horizon scans detail the comprehensive methodology (including list‐building), certainty estimates for all scoring categories and the final score, detailed pathways, and the magnitude and mechanism of impact. Providing this information can further inform prevention efforts and can be efficiently replicated in other regions. Moreover, harmonizing methodology can facilitate data sharing and enhance interpretation of results for stakeholders and the general public.
Association between central sensitization, pain sensitivity and balance control in patients with migraine
Authors: Sennholz A. , Szikszay T. M. , Marusich T. , Luedtke K. , Carvalho G. F. 
Published: December 2023

AbstractBackgroundBalance alterations are prevalent among pain conditions, including migraine. The mechanisms explaining the association between pain and balance are unclear, as well as whether levels of pain sensitivity correlate with impaired balance. Our aim was therefore to investigate the association between balance, central sensitization symptoms and pain sensitivity in patients with migraine.MethodsThis cross‐sectional study included 50 patients and demographic, clinical information, central sensitization inventory (CSI) and pain catastrophizing (PCS) scores were obtained. Patients underwent a standardized protocol evaluating balance and pain thresholds for cold (CPT), heat (HPT), mechanical (MPT) and pressure (PPT) in trigeminal (V1) and extra‐trigeminal (C6) dermatomes. Data were analysed using Person's correlation, linear regression models and contrasting the presence and absence of central sensitization symptoms through T‐tests.ResultsMild‐to‐moderate correlations were observed between balance and MPT in V1 (r = −0.24, p = 0.046) and C6 (r = −0.41, p = 0.002), CPT in V1 (r = 0.31, p = 0.026), CSI scores (r = 0.27, p = 0.029) and migraine frequency (r = 0.25, p = 0.040). Balance was explained by CPT and MPT (R2 = 0.32, p = 0.001). The variance of CSI was explained by PCS scores and balance (R2 = 0.28, p = 0.001). Patients with symptoms of central sensitization presented an increased balance impairment (p = 0.044) and higher catastrophizing levels (p = 0.001) in contrast to patients without symptoms.ConclusionBalance impairment is associated with reduced pain thresholds and higher CSI scores. These results may help to elucidate the aetiology of balance alterations among chronic pain conditions.SignificanceFor the first time, it has been shown that balance alterations can reflect greater pain sensitivity and signs of central sensitization in patients with migraine. This opens up perspectives for future studies to understand the mechanisms and further factors associated with balance and pain sensitivity in migraine.
River adjustments in response to human activities: A case study of the lower Beijiang River, China
Authors: Ding Can , Huang Dong , Li Haibin , Chen Xinchi 
Published: December 2023

AbstractIntensive human activity has caused significant changes in the river morphology and hydrological characteristics of the Pearl River Delta. Particularly, in‐channel mining and dam construction have induced remarkable levels of downward riverbed incision. Although strict control measures have been implemented for in‐channel sand mining, it remains unclear how the river has evolved since the abandonment of high‐intensity mining and its impact on flow diversion at the downstream confluence. This study presents the hydrological and morphological adjustments in the lower Beijiang River, the second largest tributary of the Pearl River, under the impacts of human interventions. A hydrodynamic model was developed to reveal the impacts of riverbed deformation on the flow diversion ratio at Sixianjiao, the confluence of the Beijaing River and the Xijiang River. The results showed that construction of cascade reservoirs upstream reach did not strongly influence run‐off, whereas incoming sediment loads were decreased. Because of upstream damming and in‐channel sand mining, a dramatic downward incision was observed in the lower Beijiang River, with a degradation volume of approximately 239.8 million m3 from 1999 to 2012. Particularly, in the upper reach, the incision depth was typically larger than 8 m. Riverbed incision caused continuous changes in the water stage–discharge relationship, and discharge increased remarkably under the same water level at the three hydrometric stations. During 2012–2020, because in‐channel sand mining was strictly controlled, rapid degradation was alleviated, deposition occurred in some cross‐sections and the deformation volume decreased by approximately 90% compared to that in the last period. A fast downward incision induced a change in flow exchange between the two rivers, and the flow diversion ratio of the Beijiang River increased from an average of 17% before 1998 to more than 21%.
Capital flight and public health outcomes in Africa
Authors: Kassouri Yacouba 
Published: December 2023

AbstractMotivated by the momentous concerns over the development challenges associated with capital flight and the persistent lack of funding to improve healthcare in Africa, this study investigates the effects of capital flight on public health outcomes. Exploiting regional variations in capital flight stemming from differences in exchange rate regimes across CFA (Communaute Financiere Africaine) zone countries and non‐CFA zone countries, I construct a shift‐share instrumental variable to infer the causal effect of capital flight on health outcomes in Africa. The results show some headways toward considering capital flight as a potential threat to achieving better public health outcomes. This finding is robust to various robustness tests, including pre‐existing trend analysis, falsification tests, heterogeneity analysis, and alternative instrumental variable specifications. The study demonstrates that government spending on health and living standards are the main routes through which capital flight influences public health outcomes.
Playing with Protic Additives to Improve the Outcome of Rhodium‐Catalyzed Hydroarylation of Fullerene C60 with Arylboronic Acids
Authors: Ergun Dönmez Merve , Eriksson Måns , Hulu Gustav , Nordström Michael , Grennberg Helena 
Published: December 2023

AbstractA new one‐phase process for hydroarylation of C60 fullerene using arylboronic acids and a rhodium catalyst in an aromatic solvent containing soluble protic additives is described. Yields of monohydroarylated product with tert‐butanol and water as the protic additive range from 14 to 50 % depending on which arylboronic acid is used after reaction times of 4 hours or less which is a significant improvement from the outcome of reactions carried out using conditions from the literature. Accurate monitoring of reaction outcomes was achieved by a combination of UV‐Vis spectroscopy and 1H‐NMR spectroscopy: C60 conversion was determined using an analytical HPLC‐UV‐vis method employing commonly available columns for the separation, while product formation was quantified by 1H‐NMR spectroscopy with an internal standard. Moreover, two new arylboronic acids carrying 4‐alkynyl aryl substituents, synthesized using Sonogashira couplings, are reported, as well as the use of these in the hydroarylation of C60.
The role of hospital‐based vascular access teams and implications for patient safety: A multi‐methods study
Authors: Quinn Martha , Horowitz Jennifer K , Krein Sarah L. , Gaston Angelique , Ullman Amanda , Chopra Vineet 
Published: December 2023

AbstractBackgroundPeripherally inserted central catheters (PICCs) and midline catheters are often placed by nurse‐led vascular access teams (VATs). While some data regarding the effectiveness of these teams exists, less is known about their structure and function.ObjectivesTo examine the roles, functions, and composition of VATs related to the use and management of PICC and midline catheters.MethodsA descriptive, multi‐method study that included an online survey of 62 hospitals participating in a quality improvement consortium and qualitative interviews with 74 hospital‐based clinicians in 10 sites. Interviews were recorded, transcribed, and analyzed using a rapid analysis and matrix approach. The survey, which contained closed‐ended, categorical questions, was analyzed using frequencies and percentages.ResultsMore than 77% (n = 48) of hospitals had an on‐site VAT. The average team size was seven nurses; their primary function was device insertion. Interview findings revealed that teams varied in characteristics and functions. Interviewees described the broad role that teams play in device insertion, care and removal, and in educating/training hospital staff. However, we found that teams' role in decision making, particularly related to appropriate device selection, was limited and, in some cases, met with physician resistance.ConclusionsTo realize the full benefit of VATs, changes in hospital culture, along with an increased willingness from physicians to integrate VAT nurses in decision making, may be needed. Future interventions aimed at engaging and empowering teams appear necessary.
PSO‐GA‐SVRmodel for S‐parameters of radio‐frequency power amplifier under different temperatures
Authors: Wang Jiayi , Zhou Shaohua 
Published: December 2023

AbstractSupport vector machine (SVR) has been introduced into the modeling of S‐parameters in radio‐frequency (RF) power amplifiers (PA). The modeling accuracy and speed of SVR are primarily affected by the penalty parametercand the kernel function coefficientγ. Using the traditional grid search technique to determine these two parameters is time‐consuming and labor‐intensive, and ensuring the model's accuracy is not easy. This article proposes an S‐parameters modeling method based on PSO‐GA‐SVR to improve the SVR's modeling accuracy and speed. The model mainly focuses on particle swarm optimization (PSO) and combines selection, crossover, and mutation operations in genetic algorithms (GA). The fitness values are arranged from small to large in each iteration process, and the first 1/3 are selected for crossover and mutation. Then, the resulting new particle swarms are introduced into the original particle swarm population for searching. On the one hand, PSO‐GA extends the population size and reduces the possibility of falling into local optimization. On the other hand, due to population size expansion, the number of iteration rounds is reduced, and the modeling speed is also increased. The experimental results show that compared to SVR, GA‐SVR, and PSO‐SVR, the proposed PSO‐GA‐SVR can improve the modeling accuracy by more than one magnitude or more while also increasing modeling speed by one magnitude or more. Furthermore, compared with the classical machine learning algorithms such as gradient boosting, random forest, and gcForset, the proposed PSO‐GA‐SVR improves the modeling accuracy by one order of magnitude and the modeling speed by two orders of magnitude more than gradient boosting, random forest, and improves the modeling speed by one order of magnitude more than gcForset.
Effectiveness of strategies to suppress antibodies to infliximab in pediatric inflammatory bowel disease
Authors: Jagt Jasmijn Z. , Holleman Koen W. , Benninga Marc A. , Van Limbergen Johan E. , de Boer Nanne K. H. , de Meij Tim G. J. 
Published: December 2023

AbstractObjectivesAntibodies to infliximab (ATIs) are associated with loss of response in children with inflammatory bowel disease (IBD). We aimed to describe the effectiveness of strategies for treatment modification following ATI development in pediatric IBD: (1) treatment escalation; and (2) switching to another anti‐TNF agent.MethodsThis multicenter retrospective study included children with IBD (4–18 years) on infliximab. Therapeutic drug monitoring (TDM) < 6 months and corticosteroid‐free remission following each strategy were evaluated for low ATI titers (≤30 AU/mL) and high ATI titers (>30 AU/mL).ResultsAnti‐infliximab antibodies were detected in 52/288 patients (18%) after a median of 15.3 months. Three of 52 ATI‐positive patients were excluded due to alternative treatments. Of the remaining 49 patients, 19 had low titers and 30 had high titers. Of 19 low‐ATIs, 16 (84%) underwent treatment escalation with infliximab (IFX). Of 13 patients with TDM available, seven (54%) achieved ATI suppression at subsequent TDM and 12 (92%) at any time point. Among 30 patients with high‐ATIs, 17 (57%) continued with IFX; immunomodulators were started in seven patients. Of 14 patients with TDM, seven (50%) achieved ATI suppression at subsequent TDM and 10 (71%) at any time point. At 24 months of follow‐up, 73% of low‐ATI patients and 50% of high‐ATI patients could continue with IFX without steroids. Thirteen of 30 high‐ATI patients (43%) switched to another anti‐TNF agent, of whom 54% and 46% had clinical response at 6 and 24 months, respectively.ConclusionsDose optimization and/or adding an immunomodulator seem effective in suppressing low ATI titers. This strategy could also be considered in high ATI titers before switching.
Effect of different oligomerization assemblies of γ‐conglutin on its interaction behavior with vitexin
Authors: Czubinski Jaroslaw , Dwiecki Krzysztof 
Published: December 2023

AbstractBACKGROUNDSeveral different factors underlie the molecular mechanisms of phenolic compound‐protein interactions. They include the environmental conditions. In the case of γ‐conglutin, pH conditions translate directly into the adoption of two distinct oligomeric assemblies, i.e. hexameric (pH 7.5) or monomeric (pH 4.5). This paper reports research on the pH‐dependent oligomerization of γ‐conglutin in terms of its ability to form complexes with a model flavonoid (vitexin).RESULTSFluorescence‐quenching thermodynamic measurements indicate that hydrogen bonds, electrostatic forces, and van der Waals interactions are the main driving forces involved in the complex formation. The interaction turned out to be a spontaneous and exothermic process. Assessment of structural composition (secondary structure changes and arrangement/dynamics of aromatic amino acids), molecular size, and the thermal stability of the different oligomeric forms showed that γ‐conglutin in a monomeric state was less affected by vitexin during the interaction.CONCLUSIONThe data show precisely how environmental conditions might influence phenolic compound‐protein complex formation directly. This knowledge is essential for the preparation of food products containing γ‐conglutin. The results can contribute to a better understanding of the detailed fate of this unique health‐promoting lupin seed protein after its intake. © 2023 Society of Chemical Industry.
Lowering The Bit‐Energy of Electro‐Optic Modulators Via Polarization‐Phase Modulation in Thin‐Film BaTiO3 Ferroelectric Crystal Waveguide
Authors: Sun Na , Sun DeGui , Wu Di , Guo Yinghui , Fan Yulong , Zou Fang , Pu Mingbo , Luo Xiangang 
Published: December 2023

AbstractThe electro‐optic (EO) modulator is a crucial device for achieving high‐speed optical communication and optical interconnection by loading the high‐frequency electrical signals onto the optical carrier. To date, modern communication technique demands for a low energy consumption for green data center establishment. In this work, a thin‐film BaTiO3 crystal waveguide Mach–Zehnder interferometer (MZI) type EO intensity modulator is experimentally implemented and its dynamic‐polarization interference process involving a phase‐polarization modulation (PPM) scheme other than conventional optical phase modulation (OPM) is carefully analyzed. Its findings show that the PPM scheme can efficiently reduce the half‐wave voltage () and the equivalent half‐wave voltage () of the modulator. Then, a new theory of deriving the bit energy (BE) from is put forward, which has proven that the BE value under PPM is lower than the OPM counterpart. The EO modulator prototype featuring a length of 1.4 mm, = 3.0 V and BE = 1.2 pJ/bit match well with the numerical calculations, thus validating the feasibility to achieve a BE<0.2 pJ/bit for an EO modulator through optimization of the electrode gap and state‐of‐the‐art fabrication techniques in the near future.