bluuebunny/crossref_metadata_2025_split huggingface dataset:
Management of point‐of‐use and point‐of‐entry for regulatory compliance: Survey of state administrators
Authors: Alfredo Katherine , Wilson Madelyn , Roberson Alan 
Published: April 2023

AbstractThe USEPA (United States Environmental Protection Agency) Lead and Copper Rule Revisions allow the use of distributed treatment approaches such as point‐of‐use (POU) and point‐of‐entry (POE) treatment for systems with 10,000 connections or less as a compliance strategy. However, this poses an opportunity for the USEPA to reevaluate system size recommendations for distributed treatment. The current research uses online surveys and semi‐structured interviews (SSIs) to highlight the general sentiment of state regulators managing POU/POE devices and inquiries. Analysis of the 43 survey responses and 13 SSIs revealed that most state regulators described systems of approximately 30–50 connections as the most successful. Resident cooperation, operation and maintenance, monitoring, and the actual implementation of distributed treatment approaches were repeatedly listed as the greatest concerns. As the use of distributed treatment continues to expand, the water sector must devote research efforts to quantitatively determining the drivers of success as well as highlighting clear indicators of potential failure.
What credentials are required for robotic‐assisted surgery in reconstructive and functional urology?
Authors: Harley Frances , Fong Eva , Yao Henry Han‐I , Hashim Hashim , O'Connell Helen E. 
Published: April 2023

AbstractIntroductionThe increasing popularity of robotic assisted surgery (RAS) as it is implemented in to sub specialities poses many challenges to ensuring standards in quality and safety. The area of Reconstructive and Functional Urology (RFU) has a wide range and largely complex heterogeneous procedures. In recent years RFU has started to incorporate RAS as the primary method to undertake these procedures due to improved vision, dexterity, and access to deep cavities. To ensure patient safety majority of institutions maintain minimal requirements to operate using RAS however across specialities and institutions these greatly vary.MethodsA narrative review of all the relevant papers known to the author was conducted.ResultsSpecific challenges facing RFU is the inability to rely on case numbers as a surrogate means to measure competency as well the ongoing consideration of how to differentiate between surgeons with robotic training and those with the clinical experience specific to RFU.ConclusionThis review explores current models of training and credentialling and assess how it can be adapted to suggest a standardised guideline for RFU to ensure the highest standards of patient care.
Physiologically‐based pharmacokinetic/pharmacodynamic modeling to predict tumor growth inhibition and the efficacious dose of selective estrogen receptor degraders in humans
Authors: Ganti Anjani , Yu Sijia , Sharpnack Danielle , Ingalla Ellen , De Bruyn Tom 
Published: April 2023

AbstractGDC‐9545 (giredestrant) is a highly potent, nonsteroidal, oral selective estrogen receptor antagonist and degrader that is being developed as a best‐in‐class drug candidate for early‐stage and advanced drug‐resistant breast cancer. GDC‐9545 was designed to improve the poor absorption and metabolism of its predecessor GDC‐0927, for which development was halted due to a high pill burden. This study aimed to develop physiologically‐based pharmacokinetic/pharmacodynamic (PBPK‐PD) models to characterize the relationships between oral exposure of GDC‐9545 and GDC‐0927 and tumor regression in HCI‐013 tumor‐bearing mice, and to translate these PK‐PD relationships to a projected human efficacious dose by integrating clinical PK data. PBPK and Simeoni tumor growth inhibition (TGI) models were developed using the animal and human Simcyp V20 Simulator (Certara) and adequately described each compound's systemic drug concentrations and antitumor activity in the dose‐ranging xenograft experiments in mice. The established PK‐PD relationship was translated to a human efficacious dose by substituting mouse PK for human PK. PBPK input values for human clearance were predicted using allometry and in vitro in vivo extrapolation approaches and human volume of distribution was predicted from simple allometry or tissue composition equations. The integrated human PBPK‐PD model was used to simulate TGI at clinically relevant doses. Translating the murine PBPK‐PD relationship to a human efficacious dose projected a much lower efficacious dose for GDC‐9545 than GDC‐0927. Additional sensitivity analysis of key parameters in the PK‐PD model demonstrated that the lower efficacious dose of GDC‐9545 is a result of improvements in clearance and absorption. The presented PBPK‐PD methodology can be applied to support lead optimization and clinical development of many drug candidates in discovery or early development programs.
[(η5‐CpR)Ge:]+[BArF4]−/O2 – A Sustainable and Efficient Catalytic System for the Hydrosilylation of Selected Olefins
Authors: Fritz‐Langhals Elke 
Published: April 2023

AbstractThe cationic Ge(II) borates [(η5‐CpR)Ge:]+[BArF4]− (CpR=substituted cyclopentadienyl) efficiently catalyze the anti‐Markovnikov hydrosilylation of alkenes in the presence of oxygen which is investigated using the examples of α‐methylstyrene and 1‐hexene. Full conversion is achieved with a minimal amount of 0.01 mol % of the cationic Ge(II) borate even at rt. The effect of oxygen is investigated and quantified by kinetic measurements which demonstrate that oxygen is an activator which interacts directly with the germanium complex. Solvent‐free hydrosilylation conditions are realized by the introduction of a more lipophilic silylated borate counteranion. Thus, the novel catalytic system is an efficient, sustainable and air‐stable catalyst alternative for the established hydrosilylation catalysts based on noble metal complexes.
Hydrolysis of Furfuryl Alcohol to Angelica Lactones and Levulinic Acid over Nb‐based Catalysts
Authors: Faria Vinícius W. , Santos Kryslaine M. A. , Calazans Alannah M. , Fraga Marco A. 
Published: April 2023

AbstractLevulinic acid and angelica lactones are important building blocks obtained from hemicellulose. This process comprises multiple chemical reactions at which furfuryl alcohol is an intermediate, but only few studies have investigated its hydrolysis. This work studied the role played by the nature of acid sites and the impact of their strength and amount on furfuryl alcohol hydrolysis over Nb2O5 and NbOPO4. It was disclosed that production of levulinic acid is a two‐step cascade reaction at which angelica lactones are intermediates. These two hydrolysis steps were catalyzed by Brønsted acid sites with no contribution from Lewis centers. Brønsted acidity of Nb2O5 presented no activity while phosphate moieties on NbOPO4 were effective. Mixtures of organic solvent and water hindered side reactions, improving selectivity to valued bioproducts. 1,4‐dioxane was the most suitable organic solvent. This study shows that selectivity of 96 % of levulinic acid and angelica lactones can be accomplished over NbOPO4.
Antitumor Activity and Reductive Stress by Platinum(II) N‐Heterocyclic Carbenes based on Guanosine**
Authors: Leitão Maria Inês P. S. , Turos‐Cabal Maria , Sanchez‐Sanchez Ana Maria , Gomes Clara S. B. , Herrera Federico , Martin Vanesa , Petronilho Ana 
Published: April 2023

AbstractPlatinum(II) complexes bearing N‐heterocyclic carbenes based guanosine and caffeine have been synthesized by unassisted C−H oxidative addition, leading to the corresponding trans‐hydride complexes. Platinum guanosine derivatives bearing triflate as counterion or bromide instead of hydride as co‐ligand were also synthesized to facilitate correlation between structure and activity. The hydride compounds show high antiproliferative activity against all cell lines (TC‐71, MV‐4‐11, U‐937 and A‐172). Methyl Guanosine complex 3, bearing a hydride ligand, is up to 30 times more active than compound 4, with a bromide in the same position. Changing the counterion has no significant effect in antiproliferative activity. Increasing bulkiness at N7, with an isopropyl group (compound 6), allows to maintain the antiproliferative activity while decreasing toxicity for non‐cancer cells. Compound 6 leads to an increase in endoplasmic reticulum and autophagy markers on TC71 and MV‐4‐11 cancer cells, induces reductive stress and increases glutathione levels in cancer cells but not in non‐cancer cell line HEK‐293.
Ultralong Organic Phosphorescence of Triazatruxene Derivatives for Dynamic Data Encryption and Anti‐counterfeiting
Authors: Liang Baoshuai , An Wei , Liu Jie , Dong Yu , Feng Shiyu , Huang Weiguo 
Published: April 2023

Comprehensive SummaryOrganic luminogens with persistent room temperature phosphorescence (RTP) have drawn tremendous attentions due to their promising potentials in optoelectronic devices, information storage, biological imaging, and anti‐counterfeiting. In this work, six triazatruxene‐based lumiogens with different peripheral substituents and configurations are synthesized and systematically studied. The results show that their fluorescence quantum yields in solid states range from 15.73% to 37.58%. Dispersing the luminogens as guest into the host (PPh3) could turn on the persistent RTP, where PPh3 acts as not only a rigid matrix to suppress the non‐radiative transitions of the guest, but also provides energy transfer channels to the guest. The maximum phosphorescence efficiency and the longest lifetime could reach 29.35% and 0.99 s in co‐crystal films of 6‐TAT‐CN/PPh3 and 5‐TAT‐H/PPh3, respectively. Moreover, these host‐guest co‐crystalline films exhibit great potentials in advanced dynamic data encryption and anti‐counterfeiting. This work deepens the insight for low cost, halogen‐free, and facile fabrication of all‐organic persistent RTP materials.
Interaction of CO2 with MnOx/Pd(111) Reverse Model Catalytic Interfaces
Authors: Anil Arca , Sadak Omer Faruk , Karakurt Bartu , Kocak Yusuf , Lyubinetsky Igor , Ozensoy Emrah 
Published: April 2023

AbstractUnderstanding the activation of CO2 on the surface of the heterogeneous catalysts comprised of metal/metal oxide interfaces is of critical importance since it is not only a prerequisite for converting CO2 to value‐added chemicals but also often, a rate‐limiting step. In this context, our current work focuses on the interaction of CO2 with heterogeneous bi‐component model catalysts consisting of small MnOx clusters supported on the Pd(111) single crystal surface. These metal oxide‐on‐metal ‘reverse’ model catalyst architectures were investigated via temperature programmed desorption (TPD) and x‐ray photoelectron spectroscopy (XPS) techniques under ultra‐high vacuum (UHV) conditions. Enhancement of CO2 activation was observed upon decreasing the size of MnOx nanoclusters by lowering the preparation temperature of the catalyst down to 85 K. Neither pristine Pd(111) single crystal surface nor thick (multilayer) MnOx overlayers on Pd(111) were not capable of activating CO2, while CO2 activation was detected at sub‐monolayer (∼0.7 ML) MnOx coverages on Pd(111), in correlation with the interfacial character of the active sites, involving both MnOx and adjacent Pd atoms.
Degradation of Polyvinyl Chloride by Sequential Dehydrochlorination and Olefin Metathesis
Authors: Skelly Patrick W. , Chang Chayo Fuentes , Braslau Rebecca 
Published: April 2023

AbstractPolyvinyl chloride (PVC) is a problematic waste plastic with limited options for recycling or upcycling. Herein, we demonstrate preliminary results in breaking down the long carbon chains of PVC into oligomers and small organic molecules. First, treatment with a substoichiometric amount of alkali base effects elimination of HCl to form a salt and creates regions of conjugated carbon‐carbon double bonds, as determined by 1H NMR and UV‐Vis spectroscopy. Olefin cross metathesis with an added partner alkene then cleaves carbon‐carbon double bonds of the polymer backbone. Addition of allyl alcohol to the dehydrochlorination step introduces allyloxy groups by substitution of allylic chlorides. Subsequent metathesis of the pendant allyloxy groups provides a reactive terminal alkene to promote insertion of the metathesis catalyst onto the olefins in the all‐carbon backbone. The products obtained are a mixture of PVC oligomers with greatly reduced molecular weights and a small‐molecule diene corresponding to the substituents of the added alkene, as evidenced by 1H and DOSY NMR and GPC. This mild procedure provides a proof of concept towards harvesting carbon resources from PVC waste.
Multitrait selection in seedless grape hybrids in semiarid regions of Brazil
Authors: de Carvalho Jullyanna Nair , de Carvalho Pollyanna Aparecida , Pio Rafael , Barbosa Maria Angélica Guimarães , Leão Patrícia Coelho de Souza 
Published: April 2023

AbstractThe absence of seeds has been one of the most valued traits in grapes (Vitis spp.) for fresh consumption. However, the simultaneous selection of superior genotypes for multiple traits is complex. The objective of this study was to select genotypes of superior seedless table grapes in semiarid regions of Brazil. Multiple traits were considered by using the factor analysis and genotype–ideotype best linear unbiased prediction (FAI‐BLUP) selection index. A total of 110 grape progenies from 24 crosses were evaluated for traits of agronomic interest. Each hybrid was represented by a single vine plant, without experimental design or repetition. The mixed‐model methodology was used to predict the breeding values. The FAI‐BLUP index was used to select superior genotypes based on factor analysis and the genotype–ideotype distance. Four factors explained the 11 characteristics studied, with a variability of 81.84%. Desirable gains were observed for 10 of the 11 traits evaluated. The FAI‐BLUP index allowed the selection of superior seedless table grape hybrids, which can be used in the genetic improvement of grapevines. In conclusion, we report the selection of seedless table grape hybrids for our study to advance in the table grape breeding program in Brazilian semiarid regions.
The potential of trait data to increase the availability of bioindicators: A case study using plant conservatism values
Authors: Crisfield Varina E. , Ficken Cari D. , Allen Brandon E. , Jog Suneeti K. , Bried Jason T. 
Published: April 2023

AbstractBiological indicators are commonly used to evaluate ecosystem condition. However, their use is often constrained by the availability of information with which to assign species‐specific indicator values, which reflect species' responses to the environmental conditions being evaluated by the indicator. As these responses are driven by underlying traits, and trait data for numerous species are available in publicly accessible databases, one possible approach to approximating missing bioindicator values is through traits. We used the Floristic Quality Assessment (FQA) framework and its component indicator of disturbance sensitivity, species‐specific ecological conservatism scores (C‐scores), as a study system to test the potential of this approach. We tested the consistency of relationships between trait values and expert‐assigned C‐scores and the trait‐based predictability of C‐scores across five regions. Furthermore, as a proof‐of‐concept exercise, we used a multi‐trait model to try to reconstruct C‐scores, and compared the model predictions to expert‐assigned scores. Out of 20 traits tested, there was evidence of regional consistency for germination rate, growth rate, propagation type, dispersal unit, and leaf nitrogen. However, the individual traits showed low predictability (R2 = 0.1–0.2) for C‐scores, and a multi‐trait model produced substantial classification errors; in many cases, >50% of species were misclassified. The mismatches may largely be explained by the inability to generalize regionally varying C‐scores from geographically neutral/naive trait data stored in databases, and the synthetic nature of C‐scores. Based on these results, we recommend possible next steps for expanding the availability of species‐based bioindication frameworks such as the FQA. These steps include increasing the availability of geographic and environmental data in trait databases, incorporating data about intraspecific trait variability into these databases, conducting hypothesis‐driven investigations into trait–indicator relationships, and having regional experts review our results to determine if there are patterns in the species that were correctly or incorrectly classified.
Projected northward shifts in eastern red‐backed salamanders due to changing climate
Authors: Hedrick Brandon P. , Estrada Alba , Sutherland Chris , Barbosa A. Márcia 
Published: April 2023

AbstractMany species' distributions are being impacted by the acceleration of climate change. Amphibians in particular serve numerous ecosystem functions and are useful indicators of environmental change. Understanding how their distributions have been impacted by climate change and will continue to be impacted is thus important to overall ecosystem health. Plethodon cinereus (Eastern Red‐Backed Salamander) is a widespread species of lungless salamander (Plethodontidae) that ranges across northeastern North America. To better understand future potential lungless salamander range shifts, we quantify environmental favorability, the likelihood of membership in a set of sites where environmental conditions are favorable for a species, for P. cinereus in multiple time periods, and examine shifts in the species' distribution. First, utilizing a large data set of georeferenced records, we assessed which bioclimatic variables were associated with environmental favorability in P. cinereus. We then used species distribution modeling for two time periods (1961–1980 and 2001–2020) to determine whether there was a regional shift in environmental favorability in the past 60 years. Models were then used to project future distributions under eight climate change scenarios to quantify potential range shifts. Shifts were assessed using fuzzy logic, avoiding thresholds that oversimplify model predictions into artificial binary outputs. We found that P. cinereus presence is strongly associated with environmental stability. There has been a substantial northward shift in environmental favorability for P. cinereus between 1961–1980 and 2001–2020. This shift is predicted to continue by 2070, with larger shifts under higher greenhouse gas emission scenarios. As climate change accelerates, it is differentially impacting species but has especially strong impacts on dispersal‐limited species. Our results show substantial northward shifts in climatic favorability in the last 60 years for P. cinereus, which are likely to be exacerbated by ongoing climate change. Since P. cinereus is dispersal‐limited, these models may imply local extirpations along the southern modern range with limited northward dispersal. Continued monitoring of amphibians in the field will reveal microclimatic effects associated with climate change and the accuracy of the model predictions presented here.
Dynamics of circulating lymphocytes responding to human experimental enterotoxigenic Escherichia coli infection
Authors: Rim Sehee , Sakkestad Sunniva T. , Zhou Fan , Gullaksen Stein‐Erik , Skavland Jørn , Chauhan Sudhir K. , Steinsland Hans , Hanevik Kurt 
Published: April 2023

AbstractEnterotoxigenic Escherichia coli (ETEC) is an important cause of children's and travelers’ diarrhea, with no licensed vaccine. This study aimed to explore the role of cellular immunity in protection against human ETEC infection. Nine volunteers were experimentally infected with ETEC, of which six developed diarrhea. Lymphocytes were collected from peripheral blood buffy coats, before and 3, 5, 6, 7, 10, and 28 days after dose ingestion, and 34 phenotypic and functional markers were examined by mass cytometry. Thirty‐three cell populations, derived by manually merging 139 cell clusters from the X‐shift unsupervised clustering algorithm, were analyzed. Initially, the diarrhea group responded with increased CD56dim CD16+ natural killer cells, dendritic cells tended to rise, and mucosal‐associated invariant T cells decreased. On day 5‐7, an increase in plasmablasts was paralleled by a consistent rise in CD4+ Th17‐like effector memory and regulatory cell subsets. CD4+ Th17‐like central memory cells peaked on day 10. All Th17‐like cell populations showed increased expression of activation, gut‐homing, and proliferation markers. Interestingly, in the nondiarrhea group, these same CD4+ Th17‐like cell populations expanded earlier, normalizing around day 7. Earlier development of these CD4+ Th17‐like cell populations in the nondiarrhea group may suggest a recall response and a potential role in controlling ETEC infections.
The Role of Sulfur in the S‐PtRe/Al2O3 Catalysts: The Endogenous Deposition Effect on the Metal/acid Micro‐environment
Authors: Miao Chenglin , Zhang Fengyu , Yang Yanpeng , Wang Tao , Zang Gaoshan , Wang Jieguang 
Published: April 2023

AbstractAlumina is widely used as support in the industrial catalytic process. As a common impurity, the sulfur species, which are often considered a harmful component, play a positive role in some petrochemical reactions. Herein, the S‐modified catalysts were fabricated using the exogenous/endogenous deposition method to study the effect of the sulfur induced by introduction approaches. Series characterizations reveal that the exogenous sulfur from the sulfidation treatment affects the active metals by poisoning the low‐coordinated sites, leading to the active metal sites decrease. As for the endogenous deposition method, besides the poison effect, the removal of the endogenous sulfur from the S‐contain alumina support can produce oxygen vacancies, which can not only act as acid sites but work as an electron acceptor that optimizes the catalyst electronic structure. Benefits from the effect of endogenous sulfur, the catalyst with a suitable catalytic metal/acid micro‐environment exhibit the best dehydrocyclization performance.
Reactivity of a Free Aluminylene towards Boron Lewis Acids: Accessing Aluminum‐Boron‐Bonded Species
Authors: Zhang Xin , Liu Liu Leo 
Published: April 2023

AbstractThe reactivity of the free aluminylene [N]‐Al (1) ([N]=1,8‐bis(3,5‐di‐tert‐butylphenyl)‐3,6‐di‐tert‐butylcarbazolyl) towards boron Lewis acids is investigated. A facile oxidative addition reaction of 1 with Ph2BOBPh2 furnishes an exceedingly scarce example of the free alumaborane [N]‐Al(BPh2)(OBPh2) (2) with an Al−B electron‐sharing bond. By contrast, complexation of 1 with B(C6F5)3 and HB(C6F5)2 gives rise to the corresponding Lewis adducts [N]‐Al→B(C6F5)3 (3) and [N]‐Al→BH(C6F5)2 (4), respectively, with an Al→B dative bond. Crystallization of 4 in Et2O produces the adduct [N]‐Al(Et2O)→BH(C6F5)2 (5). Quantum chemical calculations are carried out to understand the formation of 2 as well as the bonding situation of 3 and 5.