bluuebunny/crossref_metadata_2025_split huggingface dataset:
NMR‐Spectroscopic Detection of an Elusive Protonated and Coinage Metalated Silicide [NHCDippCu(η4‐Si9)H]2− in Solution
Authors: Streitferdt Verena , Tiefenthaler Susanne M. , Shenderovich Ilya G. , Gärtner Stefanie , Korber Nikolaus , Gschwind Ruth M. 
Published: June 2021

AbstractA simultaneously protonated and functionalized silicide cluster [NHCDippCu(η4‐Si9)H]2− was detected and characterized in liquid ammonia by NMR spectroscopy. Key NMR results were corroborated by theoretical calculations. 1H‐NMR line‐widths at variable temperatures revealed that proton hopping in the metalated complex [NHCDippCu(η4‐Si9)H]2− is less pronounced than in the non‐complexed silicide [HSi9]3−. Besides [HSi9]3− and [NHCDippCu(η4‐Si9)H]2− also the unprotonated analogous cluster [NHCDippCu(η4‐Si9)]3− was detected in solution. In addition, a new 29Si‐NMR signal was obtained in the course of 29Si‐NMR studies that we assigned to [NHCDippCu(η4‐Si9)]3−. The isolation of crystals of (K[2.2.2]‐crypt)2K0.48Rb3.52[NHCDippCu(η4‐Si9)]2 prove the availability of the non‐protonated NHCDippCu(η4‐Si9) fragment in solution. To the best of our knowledge the detection of [NHCDippCu(η4‐Si9)H]2− represents the first case of a protonated and coinage metalated group 14 Zintl cluster in solution so far.
Model‐based evaluation of climate change impacts on rice grain quality in the main European rice district
Authors: Cappelli Giovanni Alessandro , Bregaglio Simone 
Published: June 2021

AbstractCrop simulation models are used to forecast the impacts of climate change on yield levels and to identify adaptation strategies. Nevertheless, crop quality has been almost neglected in available studies, despite its relevance on the economic and nutritional value of agricultural products. We present here a modeling study to evaluate the future trends of rice quality in the main European rice district, placed in Northern Italy. A rice growth model was coupled with a library of models of rice milling and cooking suitability, using current farmer management and baseline/future climatic scenarios as input for the simulations. Four general circulation models (NOResm, MIROC‐ESM, HadGEM2‐ES, and GISS‐ES) and two CO2 representative concentration pathways (2.6, 8.5) were used to generate 20‐year future climatic data centered on 2030 and 2070. Spatially distributed simulations were run at 2 × 2 km spatial resolution considering a Japonica (Loto) and a Tropical Japonica (Gladio) rice cultivar. The results depicted an overall decline in rice quality, especially for Loto (−5% of milling suitability considering GISS‐ES‐2.6 in all time frames; −8% in 2030 and −20% in 2070 under HadGEM2‐ES‐8.5). While the revenues of millers are expected to decrease of about 50 € t−1 in 2030 and 100 € t−1 in 2070 for Loto, minor changes are projected on Gladio milling and cooking suitability, except in the worst scenario in 2070 (−10 to −5% of cooking suitability, corresponding to −30 to −72 € t−1). Despite the need of reducing models uncertainty, this study provides variety‐specific indications on rice grain quality ready‐to‐use for crop specialists, farmers, and millers and that could raise the interest of different stakeholders of the agri‐food sector, including food scientists, geneticists, and policy makers.
Antibiotic resistance pattern of the allochthonous bacteria isolated from commercially available spices
Authors: György Éva , Laslo Éva , Antal Márta , András Csaba Dezső 
Published: June 2021

AbstractSpices are often used in dried form, sometimes with significant microbial contamination including pathogenic and food spoilage bacteria. The antibiotic resistance represents an additional risk for food industry, and it is worthy of special attention as spices are important food additives. During our work, we examined the microbiological quality of 50 different spices with cultivation methods on diverse selective media. The identification of the most representative bacteria was carried out using 16S rDNA gene sequence analysis. Antibiotic resistance profiling of twelve identified Bacillus species (B. subtilis subsp. stercoris BCFK, B. licheniformis BCLS, B. siamensis SZBC, B. zhangzhouensis BCTA, B. altitudinis SALKÖ, B. velezensis CVBC, B. cereus SALÖB isolate, B. tequilensis KOPS, B. filamentosus BMBC, B. subtilis subsp. subtilis PRBC2, B. safensis BMPS, and B. mojavensis BCFK2 isolate) was performed using the standard disk‐diffusion method against 32 antibiotics. The study showed that the majority resistance was obtained against penicillin G (100%), oxacillin (91.67%), amoxyclav (91.67%), rifampicin (75%), and azithromycin (75%). Our findings suggest that spices harbor multidrug‐resistant bacteria.
Ancient anthropogenic soils and activity areas of the Colombian Andean region: A geoarchaeological approach
Authors: Godoy‐Toro Andrés , Loaiza‐Usuga Juan C. , Monsalve‐Marín Carlos , Weber‐Scharff Marion , Torres‐Guerrero Carlos A. 
Published: June 2021

AbstractThe Monte Azul archaeological site is located in the inter‐Andean Aburrá Valley of the upper Medellín River in Colombia and it is dated from the Middle Ceramic period to the Republican period. In this study area, it is common to find evidence of disturbed soils that is related to ancient use and erosion. In Monte Azul, the pedogenesis is associated with the presence of fast‐weathering eolian volcanic ash deposits, extreme acidity, low base saturation, strong leaching, high precipitation, and high temperature; hence, some of these tropical conditions are responsible for the low conservation of the archaeological record. Consequently, we used a geoarchaeological approach with paleoenvironmental, sedimentary, geochemical, and soil micromorphological proxies as integral units of analysis to understand site formation processes. Micromorphological and paleobotanical records indicate soil use dynamics and changes in paleoenvironmental conditions from humid conditions to small and persistent clearings around a domestic unit. This approach sheds light on the development of possible pre‐Hispanic activity areas and cultivation techniques related to the ancient use of the Ferrería pottery style in the Central Mountain Range of Colombia.
Knowledge gaps in our perceptual model of Great Britain's hydrology
Authors: Wagener Thorsten , Dadson Simon J. , Hannah David M. , Coxon Gemma , Beven Keith , Bloomfield John P. , Buytaert Wouter , Cloke Hannah , Bates Paul , Holden Joseph , Parry Louise , Lamb Rob , Chappell Nick A. , Fry Matthew , Old Gareth 
Published: June 2021

AbstractThere is a no lack of significant open questions in the field of hydrology. How will hydrological connectivity between freshwater bodies be altered by future human alterations to the hydrological cycle? Where does water go when it rains? Or what is the future space–time variability of flood and drought events? However, the answers to these questions will vary with location due to the specific and often poorly understood local boundary conditions and system properties that control the functional behaviour of a catchment or any other hydrologic control volume. We suggest that an open, shared and evolving perceptual model of a region's hydrology is critical to tailor our science questions, as it would be for any other study domain from the plot to the continental scale. In this opinion piece, we begin to discuss the elements of and point out some knowledge gaps in the perceptual model of the terrestrial water cycle of Great Britain. We discuss six major knowledge gaps and propose four key ways to reduce them. While the specific knowledge gaps in our perceptual model do not necessarily transfer to other places, we believe that the development of such perceptual models should be at the core of the debate for all hydrologic communities, and we encourage others to have a similar debate for their hydrologic domain.
Variations in runoff, sediment load, and their relationship for a major sediment source area of the Jialing River basin, southern China
Authors: Shao Yiting , Mu Xingmin , He Yi , Chen Kai 
Published: June 2021

AbstractInvestigation of the variations in runoff, sediment load, and their dynamic relation is conducive to understanding hydrological regime changes and supporting channel regulation and fluvial management. This study is undertaken in the Xihanshui catchment, which is known for its high sediment‐laden in the Jialing River of the Yangtze River basin, southern China, to evaluate the change characteristics of runoff, sediment load, and their relationship at multi‐temporal scales from 1966 to 2016. The results showed that runoff changed significantly for more months, whereas the significant changes in monthly sediment load occurred from April to September. The contributions of runoff in summer and autumn and sediment load in summer to their annual value changes were greater. Annual runoff and sediment load in the Xihanshui catchment both exhibited significant decreasing trends (p < 0.05) with a significant mutation in 1993 (p < 0.05). The average annual runoff in the change period (1994–2016) decreased by 49.58% and annual sediment load displayed a substantial decline with a reduction of 77.77% in comparison with the reference period (1966–1993) due to climate change and intensive human activity. The power functions were satisfactory to describe annual and extreme monthly runoff–sediment relationships, whereas the monthly runoff–sediment relationship and extreme monthly sediment‐runoff relationship were changeable. Spatially, annual runoff–sediment relationship alteration could be partly attributed to sediment load changes in the upstream area and runoff variations in the downstream region. Three quantitative methods revealed that the main driver for significant reductions of annual runoff and sediment load is the human activity dominated by soil and water conservation measures, while climate change only contributed 22.73%–38.99% (mean 32.07%) to the total runoff reduction and 3.39%–35.56% (mean 17.32%) to the total decrease in sediment load.
A comparison of two techniques for vaginal speculum placement to reduce patient pain
Authors: Aguado Pérez Rogelio Apolo , Linares Rodríguez María Fernanda , Rosales Órtiz Sergio , Sanchez Reyes Karla Alejandra , Márquez Acosta Janeth 
Published: June 2021

SynopsisHorizontal placement of a vaginal speculum is associated with reduced pain in patients.
Mortality in pregnancy and the postpartum period in women with severe acute respiratory distress syndrome related to COVID‐19 in Brazil, 2020
Authors: Scheler Carlos A. , Discacciati Michelle G. , Vale Diama B. , Lajos Giuliane J. , Surita Fernanda , Teixeira Julio C. 
Published: June 2021

AbstractObjectiveTo estimate fatality rates due to severe acute respiratory distress syndrome (ARDS) related to COVID‐19 in Brazilian women, comparing pregnant and postpartum women with nonpregnant women.MethodsA cross‐sectional study of 12 566 pregnant and postpartum women (obstetric group) and 90 025 nonpregnant women (nonobstetric group) aged 15–49 years reported with severe ARDS in 2020. The Brazilian ARDS Surveillance System was used to compare the outcome (death or cure) between the groups, considering age, race, or comorbidities.ResultsThe mortality rate related to ARDS/COVID‐19 in the obstetric group was 7.8% (377/4853) compared with 13.9% (5946/42 915) in the nonobstetric group. Comorbidity was associated with increased fatality cases for both groups, but higher in the nonobstetric group (22.8% vs 13.3%). In the obstetric group, deaths related to COVID‐19 were concentrated in the third trimester or postpartum period. If comorbidity was present, deaths by COVID‐19 were 4.4 times higher than ARDS due to other etiologies, and twice higher in women who self‐reported as black (13.7%) than white women (6.7%). Considering ADRS etiology, deaths by COVID‐19 were 3.4–6.7 times higher than any other etiology.ConclusionARDS related to COVID‐19 in obstetric patients was an important factor for worse clinical outcomes, with 3–6 times higher death rates than other ARDS etiologies. Pregnant and postpartum women with severe ARDS related to COVID‐19 had a lower fatality rate than nonpregnant women, even with associated comorbidity.
Muscle invasive urinary bladder urothelial carcinoma presenting with secondary nephrotic symptoms
Authors: Mizusawa Hiroya , Mimura Yuji , Utazu Haruhiko , Maejima Toshitaka 
Published: June 2021

IntroductionNephrotic syndrome secondary to malignant disease accounts for approximately 10% of cases of nephrotic syndrome in adults. However, urothelial carcinoma of the bladder is a rare cancer, with only four cases reported to date.Case presentationA 76‐year‐old man presented with chief complaints of edema and anorexia. Laboratory examinations revealed hypoalbuminemia and marked proteinuria, and computed tomography demonstrated multiple bladder tumors. Transurethral resection of the bladder tumors was performed. The pathological diagnosis was urothelial carcinoma with muscular invasion. The patient underwent simple cystectomy and ileal conduit formation, and proteinuria disappeared after 4 weeks. However, urethral recurrence was noted, and he died 35 months after cystectomy.ConclusionFive cases including ours were clinically reviewed. Nephrotic symptoms improved relatively rapidly after surgery in all cases. In contrast to the poor preoperative general condition, postoperative improvement can be expected, and surgical treatment should, therefore, be considered.
“I learned that I am worth defending”: A process evaluation of a sexual assault prevention program implemented on an Indian reservation
Authors: Siller Laura , Edwards Katie M. , Leader Charge Leon , Bordeaux Simone , Leader Charge Damon , Herrington Ramona 
Published: June 2021

AbstractA great deal of programming has been developed to prevent sexual assault (SA) among adolescents. Few studies examine programming implementation among minority groups and present information about program acceptability among participants and community stakeholders. The purpose of the current study was to examine the acceptability of implementing an empowerment SA self‐defense program for adolescent girls on an Indian reservation. Data for the study came from posttest surveys of Native American adolescent girls who participated in an SA prevention program (N = 102) and interviews with community stakeholders, including program participants (N = 18). Results showed that acceptability was high among program participants and community stakeholders. Program participants noted that they liked the program overall and liked components of the programming. Participants noted that they disliked pressure to participate, program length, and missing class. Among community stakeholders, all expressed an overall positive impression of the program, felt that the program had a positive impact on program participants, and appreciated that girls learned to use refusal skills. Community stakeholders provided several programming improvement ideas such as incorporating culturally specific content into the program for future implementation. These findings can be used by other researchers, schools, and practitioners implementing prevention programs with Native American girls.
Status Toward the Implementation of Precision Dosing in Children
Authors: Barrett Jeffrey S. , Barrett Ryan F. , Vinks Alexander A. 
Published: June 2021

AbstractPrecision dosing is progressing beyond the conceptual and proof‐of‐concept stages toward implementation. As the availability of dosing algorithms, tools, and platforms increases, so do the investment in technology services and actual implementation of clinical services offering these solutions to patients. Nowhere is this needed more than in pediatric populations, which are still reliant on adult drug development and bridging strategies to support dosing, often in the absence of actual dose‐finding studies in the target pediatric population. Still, there is more work to be done to ensure that proper governance of these services is maintained, and that sustainability of these early implementations is guided by new science as it evolves and meaningful outcome data to confirm that such services deliver on both clinical and economic return on investment. In addition, the field should ensure that all approaches beyond a therapeutic drug monitoring–driven, pharmacokinetic‐centric approach should be considered as the tools and services evolve, especially when pediatric‐specific pharmacokinetic/pharmacodyamic and pharmacogenetic data are available and shown to be useful to guide dosing. This review evaluates current pediatric precision dosing efforts, highlighting their utility, longevity, and sustainability and assesses the current process for implementing such approaches examining current barriers that stand in the way of broader implementation and the stakeholders that must engage to ensure its ultimate success.
Model‐Informed Pediatric Drug Development: Application of Pharmacometrics to Define the Right Dose for Children
Authors: Vinks Alexander A. , Barrett Jeffrey S. 
Published: June 2021

AbstractOne of the biggest challenges in pediatric drug development is defining a safe and effective dose in pediatric populations, which span across a wide age and development range from neonates to adolescents. Model‐informed drug development approaches are particularly suited to address knowledge gaps including data leveraging to increase the success of pediatric studies. Considering the often limited number of patients available for study and logistic difficulties to collect the necessary data in pediatric populations, the application of pharmacometrics and modeling and simulation techniques can improve clinical trial efficiency, increase the probability of regulatory success, and optimize therapeutic individualization in support of dedicated trials. This review describes the state of pediatric model‐informed drug development to define the right dose for children and provides suggestions for future development.
Evaluation of Physiologically Based Pharmacokinetic Models to Predict the Absorption of BCS Class I Drugs in Different Pediatric Age Groups
Authors: Liu Xiaomei I. , van den Anker John N. , Burckart Gilbert J. , Dallmann André 
Published: June 2021

AbstractAge‐related changes in many parameters affecting drug absorption remain poorly characterized. The objective of this study was to apply physiologically based pharmacokinetic (PBPK) models in pediatric patients to investigate the absorption and pharmacokinetics of 4 drugs belonging to the Biopharmaceutics Classification System (BCS) class I administered as oral liquid formulations. Pediatric PBPK models built with PK‐Sim/MoBi were used to predict the pharmacokinetics of acetaminophen, emtricitabine, theophylline, and zolpidem in different pediatric populations. The model performance for predicting drug absorption and pharmacokinetics was assessed by comparing the predicted absorption profile with the deconvoluted dose fraction absorbed over time and predicted with observed plasma concentration‐time profiles. Sensitivity analyses were performed to analyze the effects of changes in relevant input parameters on the model output. Overall, most pharmacokinetic parameters were predicted within a 2‐fold error range. The absorption profiles were generally reasonably predicted, but relatively large differences were observed for acetaminophen. Sensitivity analyses showed that the predicted absorption profile was most sensitive to changes in the gastric emptying time (GET) and the specific intestinal permeability. The drug's solubility played only a minor role. These findings confirm that gastric emptying time, more than intestinal permeability or solubility, is a key factor affecting BCS class I drug absorption in children. As gastric emptying time is prolonged in the fed state, a better understanding of the interplay between food intake and gastric emptying time in children is needed, especially in the very young in whom the (semi)fed condition is the prevailing prandial state, and hence prolonged gastric emptying time seems more plausible than the fasting state.
Predictive Performance of Physiology‐Based Pharmacokinetic Dose Estimates for Pediatric Trials: Evaluation With 10 Bayer Small‐Molecule Compounds in Children
Authors: Ince Ibrahim , Dallmann André , Frechen Sebastian , Coboeken Katrin , Niederalt Christoph , Wendl Thomas , Block Michael , Meyer Michaela , Eissing Thomas , Burghaus Rolf , Lippert Jörg , Willmann Stefan , Schlender Jan‐Frederik 
Published: June 2021

AbstractDevelopment and guidance of dosing schemes in children have been supported by physiology‐based pharmacokinetic (PBPK) modeling for many years. PBPK models are built on a generic basis, where compound‐ and system‐specific parameters are separated and can be exchanged, allowing the translation of these models from adults to children by accounting for physiological differences. Owing to these features, PBPK modeling is a valuable approach to support clinical decision making for dosing in children. In this analysis, we evaluate pediatric PBPK models for 10 small‐molecule compounds that were applied to support clinical decision processes at Bayer for their predictive power in different age groups. Ratios of PBPK‐predicted to observed PK parameters for the evaluated drugs in different pediatric age groups were estimated. Predictive performance was analyzed on the basis of a 2‐fold error range and the bioequivalence range (ie, 0.8 ≤ predicted/observed ≤ 1.25). For all 10 compounds, all predicted‐to‐observed PK ratios were within a 2‐fold error range (n = 27), with two‐thirds of the ratios within the bioequivalence range (n = 18). The findings demonstrate that the pharmacokinetics of these compounds was successfully and adequately predicted in different pediatric age groups. This illustrates the applicability of PBPK for guiding dosing schemes in the pediatric population.
Pharmacogenomics for Drug Dosing in Children: Current Use, Knowledge, and Gaps
Authors: Hoshitsuki Keito , Fernandez Christian A. , Yang Jun J. 
Published: June 2021

AbstractPharmacogenomics research ranges from the discovery of genetic factors to explain interpatient variability in drug exposure and response to clinical implementation of this knowledge to improve pharmacotherapy. Medications with actionable pharmacogenomic associations are frequently used in children, and therefore pharmacogenomics‐guided precision medicine is readily applicable to the pediatric population. Although heritable genetics are considered immutable, the impact of genetic variation in pharmacogenes is modified by other factors such as age‐dependent changes in gene expression. Early evidence has emerged indicating that the interaction between ontogeny and pharmacogenomics determines whether or how genetics‐based dosing algorithms should be adjusted in children versus adults. However, there is still a paucity of data describing pharmacogenomic associations in patient populations across the life span. Future research is much needed to evaluate the impact of pharmacogenomics on drug dosing specific to the pediatric population, along with consideration of other developmental and physiological factors uniquely related to drug disposition in this population.