bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unique Patterns of Body Composition and Anthropometric Measurements During Maturation in Neonatal Intensive Care Unit Neonates: Opportunities for Modifying Nutritional Therapy and Influencing Clinical Outcomes
Authors: Algotar Anushree , Shaikhkhalil Ala K. , Siler‐Wurst Kim , Sitaram Swetha , Gulati Ish , Jadcherla Sudarshan R. 
Published: September 2023

AbstractBackgroundBody composition is an important predictor of long‐term outcomes in neonates and may be altered by several factors. Innovative methods like air displacement plethysmography (ADP) can safely and reliably measure body composition, potentially assisting in individualization of nutrition therapy.Objectives1) To characterize patterns of body composition change in convalescing neonates in the neonatal intensive care unit (NICU) and examine factors leading to variation. 2) To evaluate if the time interval between 2 measurements via ADP can detect significant changes.MethodsNICU infants underwent anthropometry and body composition measurements by ADP at 37.5±0.7 weeks (Time 1) and 41.0±0.7 weeks (Time 2) postmenstrual age. Nutrition data were recorded. Data were analyzed using paired t‐tests and linear regression models, presented as mean±SE, median (IQR), or %.ResultsTwenty‐two neonates (54% males, 32.2±0.9 weeks gestation) were evaluated with a median interval of 3.6 (2.9–4.0) weeks between studies. Mean weight and % body fat increased significantly. There was no significant difference between mean weight and mean % body fat compared with normal references. Abdominal girth increased and mid‐arm circumference decreased (p<0.01). Preterm group had higher mean % body fat (10.1) than term infants (6.5), p = 0.03.ConclusionLongitudinal assessment of body composition can effectively assess nutrition status of fragile NICU infants. Although, an interval of 2.9–4.0 weeks between consecutive measurements detected significant changes in body composition, more frequent measurements are needed to determine nutrition factors responsible for body composition changes.
Early Protein Inadequacy Is Associated With Longer Intensive Care Unit Stay and Fewer Ventilator‐Free Days: A Retrospective Analysis of Patients With Prolonged Surgical Intensive Care Unit Stay
Authors: Yeh D. Dante , Fuentes Eva , Quraishi Sadeq A. , Lee Jarone , Kaafarani Haytham M. A. , Fagenholz Peter , Butler Kathryn , DeMoya Marc , Chang Yuchiao , Velmahos George 
Published: September 2023

AbstractBackgroundFailure to provide adequate nutrition in the intensive care unit (ICU) may be particularly harmful for patients with prolonged critical illness. We hypothesized that early nutrition inadequacy is more influential for those requiring a longer ICU stay versus those requiring a shorter stay.MethodsWe enrolled 280 adult patients with prolonged surgical ICU stay who were receiving enteral nutrition for >72 hours. Subjects were divided into 2 groups: shortICU (<14 days) and longICU (≥14 days). Nutrition deficits at ICU days 3 and 7 were calculated. To investigate whether early nutrient deficit was associated with ICU length of stay (LOS), hospital LOS, 28‐day ventilator‐free days, and discharge disposition (home/rehabilitation vs death/nursing home), we performed linear and logistic regression analyses controlling for age, sex, body mass index, and APACHE II (Acute Physiology and Chronic Health Evaluation).ResultsWhile the shortICU (n = 163) and longICU (n = 117) groups were similar in age, APACHE II, Injury Severity Score, energy/protein prescription, and enteral nutrition initiation within 48 hours, the longICU group was more commonly male (76% vs 61%, P = .007) and had higher body mass index (27.4 vs 25.6, P = .007). Significant interactions occurred: in the longICU group but not the shortICU group, protein deficits were associated with longer ICU stay and fewer 28‐day ventilator‐free days.ConclusionsEarly protein deficits accumulating at ICU days 3 and 7 are associated with worse clinical outcomes among patients requiring longer ICU stays. Additional studies are required to confirm these findings.
In situ synthesis of PuCl3 and corresponding Raman and density functional theory vibrational modes
Authors: Hanson Alexa , Hubley Nicholas , Atta‐Fynn Raymond , Batista Enrique , Hernandez Sarah , Scott Brian 
Published: September 2023

AbstractThe experimental and calculated Raman spectrum of PuCl3 has been reported for the first time. PuCl3 is a primary species found in plutonium metal refinement, specifically in pyrochemical salt processes including multicycle direct oxide reduction, metal chlorination, and electrorefining. As such, Raman signatures of PuCl3 could serve as potential forensic indicators of material process history. A novel technique for synthesizing PuCl3 from the in situ chlorination of plutonium metal with HCl was developed to establish these signatures. Cerium metal surrogates were utilized to ensure optimization of the plutonium experiments and to minimize personnel exposure, and all experiments were carried out in a Raman reaction chamber designed for air‐tight, high vacuum environments. In situ Raman spectroscopy was employed in conjunction with density functional theory (DFT) to investigate the vibrational modes of PuCl3. Associated mixed oxy and hydroxyl phases are also reported. The combined Raman and DFT results have eliminated inconsistencies in Raman mode assignments for the MX3 family of metal chlorides having P63/m symmetry, and IR modes derived from the DFT calculations are additionally presented. The data observed in this study are of potential interest to nuclear forensic analyses, nuclear sample aging, nuclear energy, plutonium processing, and stockpile stewardship.
New esters from the essential oil of dry flowers of elder (Sambucus nigra L.)
Authors: Raičević Vidak , Mladenović Marko , Aćimović Milica , Radulović Niko 
Published: September 2023

AbstractBACKGROUNDElder (Sambucus nigra L.) has relevance for the food, fragrance and pharmaceutical industries. Flowers of this species emit a very pleasant scent; for processing purposes, inflorescences are either collected from the wild or harvested from a cultivated crop. The study of elderflower‐derived volatiles bears both phytochemical and commercial importance.RESULTSThree samples of dry elderflower essential oil obtained from laboratory‐scale hydrodistillations were analyzed. By use of gas chromatography‐mass spectrometry, synthesis and NMR studies of chromatographic fractions of a distillation water extract prepared in a semi‐industrial scale steam distillation, 252 constituents of the oil were identified; 115 compounds were not previously reported as elderflower volatiles, seven of which were new natural esters. Particularly interesting were those of isosenecioic (3‐methylbut‐3‐enoic) acid because these were never before found in the plant kingdom.CONCLUSIONWith these identifications, the known essential oil constituents accounted for 89.0–93.0% of the analyzed samples. Although the number of known S. nigra flower‐derived volatiles is now quite high, further research (both analytical and olfactory) is needed to unveil all of the relevant contributions to the unique odor of elderflowers. © 2023 Society of Chemical Industry.
Differential habitat use between demographic states of black bears in managed timber forests
Authors: Evans Bryn E. , Brehm Allison M. , Franzoi Dri Gabriela , Bolinjkar Amay , Archambault Griffin , Mortelliti Alessio 
Published: September 2023

AbstractThe long‐term effects of intensive forest harvest on sensitive demographic stages of the American black bear (Ursus americanus) have been often overlooked. Much of Maine, USA, is covered in forests that are hospitable to bears and commercial timber harvest. To investigate the potential effects of differing intensities of disturbance on black bears, and on females with cubs particularly, we designed a large‐scale natural experiment with 197 motion‐sensitive camera sites dispersed over representative forest stands in northern and central Maine. Using multi‐state occupancy models, we distinguished the overall trends in space use by females with young versus adult bears without young. Forest disturbance at large spatial scales was positively associated with the probability of use for both demographic groups and the availability of hardwood trees was an additional important factor for habitat use by females with young. Our study illustrates the use of motion‐sensitive cameras to monitor and understand habitat use by distinct life‐history stages of animals living in human‐modified landscapes, and results indicate that managers can maintain black bear habitat in areas of active forest harvest by ensuring the availability of hardwood species.
Mountain glaciers influence biogeochemical and ecological characteristics of high‐elevation lakes across the northern Rocky Mountains, USA
Authors: Vanderwall Joseph W. , Muhlfeld Clint C. , Tappenbeck Tyler H. , Giersch Joseph , Ren Ze , Elser James J. 
Published: September 2023

AbstractMountain glaciers are retreating rapidly due to climate change, leading to the formation of downstream lakes. However, little is known about the physical and biogeochemical conditions in these lakes across a range of glacial influence. We surveyed alpine lakes fed by both glacial and snowpack meltwaters and those fed by snowpack alone to compare nutrient concentrations, stoichiometry, water clarity, chlorophyll, and zooplankton communities. Total phosphorus (TP) and soluble reactive phosphorus were two times higher in glacial lakes than in non‐glacial lakes, while nitrate concentrations were three times higher. However, organic carbon concentrations in glacial lakes were two times lower than in non‐glacial lakes. The carbon‐to‐phosphorus ratio and the nitrogen‐to‐phosphorus ratio of lake seston increased with water clarity in glacial lakes, suggesting that turbidity from glacial flour increases light limitation and increases stoichiometric food quality for zooplankton in newly formed lakes. However, chlorophyll a concentrations did not differ between lake types. Through structural equation modeling, we found that glaciers exhibit a bidirectional association with nitrate and TP concentrations, perhaps mediated through landscape vegetation and lake clarity. Zooplankton communities in high‐turbidity glacial lakes were largely composed of cyclopoid copepods and rotifers (i.e., non‐filter feeders), while non‐glacial lakes tended to be dominated by calanoid copepods and cladocerans (i.e., filter feeders). Our results show that glacier‐influenced lakes have biogeochemical and ecological characteristics distinct from snow‐fed mountain lakes. Sustained studies are needed to assess the dynamics of these unique features as the influence of the alpine cryosphere fades under ongoing climate change.
Magnesium Status, Genetic Variants of Magnesium‐Related Ion Channel Transient Receptor Potential Membrane Melastatin 6 (TRPM6) and the Risk of Gestational Diabetes Mellitus in Chinese Pregnant Women: A Nested Case–Control Study
Authors: Huang Shanshan , Ge Yanyan , Li Yan , Cui Ningning , Tan Le , Guo Shu , Wang Shanshan , Hao Liping , Lei Gang , Yang Xuefeng 
Published: September 2023

ScopeMagnesium plays an important role in regulating glucose metabolism. The study attempts to explore association between magnesium status and single nucleotide polymorphisms (SNPs) of gene involved in magnesium absorption‐transient receptor potential membrane melastatin 6 (TRPM6) and gestational diabetes mellitus (GDM) riskMethods and resultsA nested case–control study including 170 GDM cases and matched 340 controls is conducted based on Tongji Birth Cohort. Dietary, serum, and urine magnesium are evaluated before the diagnosis of GDM. Compared to the lowest tertile, women in the highest tertile of serum magnesium are at a lower risk of GDM (adjusted odds ratio [aOR] 0.42, 95% confidence intervals [CI] 0.21–0.84). Serum magnesium is inversely associated with insulin and homeostatic model assessment of insulin resistance (β = −0.05, p = 0.002; β = −0.04, p = 0.001, respectively). The aOR for GDM in carriers of the CT or CC genotypes of TRPM6 rs2274924 compared with carriers of the TT genotype is 2.76 (95% CI 1.78–4.26). Dietary magnesium is positively associated with serum magnesium (β = 0.02, p = 0.004), but not with GDM risk.ConclusionSerum magnesium and the TRPM6 rs2274924 polymorphism are associated with the risk of GDM.
Accelerated multislice MRI with patterned excitation
Authors: de Zwart Jacco A. , van Gelderen Peter , Wang Yicun , Duyn Jeff H. 
Published: September 2023

AbstractPurposeAccelerate multislice 2D MRI by using RF pulses that simultaneously act on different slices to combine contrast preparation and image acquisition.Theory and MethodsMRI applications often require the use of multiple RF pulses to generate desired contrast and prepare the signal for readout. Examples are the use of inversion prepulses to generate T1 contrast, or the use of spin‐echo preparations to generate T2 or diffusion contrast. In multislice MRI, this separation of contrast preparation and readout can render scans time‐inefficient and lengthy. We introduce a class of pulse sequences that overcomes this inefficiency by combining contrast preparation and signal readout. This is accomplished by using RF pulses that manipulate the magnetization of multiple slices simultaneously and a gradient crusher scheme that selects a target slice for readout.ResultsFeasibility of the method was demonstrated for spin echo–based measurement of water diffusion and tissue pulsation in human brain at 3 T. Increases in time‐efficiency and reductions in scan time were highly dependent on specific implementation and reached as high as 25% and 53%, respectively.ConclusionA novel approach to multislice MRI is demonstrated that reduces scan time for specific applications.
Modifiable kidney disease risk factors among nondiabetic adults with obesity from the Multi‐Ethnic Study of Atherosclerosis
Authors: Harhay Meera N. , Kim Yuna , Moore Kari , Harhay Michael O. , Katz Ronit , Shlipak Michael G. , Mattix‐Kramer Holly J. 
Published: September 2023

AbstractObjectiveIt is unknown whether weight change or physical fitness is associated with chronic kidney disease (CKD) risk among nondiabetic adults with obesity.MethodsThis was a prospective, longitudinal cohort study of adults with obesity without baseline CKD or diabetes enrolled in the Multi‐Ethnic Study of Atherosclerosis (MESA). Linear mixed‐effects and multistate models were adjusted for demographics, time‐varying covariates including blood pressure, and comorbidities these were used to examine associations of weight change and slow walking pace (<2 miles/h) with (i) rate of annual estimated glomerular filtration rate (eGFR) decline and (ii) incident CKD, defined as eGFRCr‐Cys < 60 mL/min/1.73 m2, and tested for interaction by baseline hypertension status.ResultsAmong 1208 included MESA participants (median BMI 33.0 kg/m2 [interquartile range 31.2–35.9]), 15% developed CKD. Slow walking pace was associated with eGFR decline (−0.27 mL/min/1.73 m2/year; 95% CI: −0.42 to −0.12) and CKD risk (adjusted hazard ratio 1.48; 95% CI: 1.08 to 2.01). Weight gain was associated with CKD risk (adjusted hazard ratio 1.34; 95% CI: 1.02 to 1.78 per 5 kg weight gain from baseline). There was no significant interaction by baseline hypertension status.ConclusionsSlow walking pace and weight gain were associated with CKD risk among adults with obesity who did not have diabetes at baseline.
Enhancing mechanical properties of polycarbonate parts developed by fused filament fabrication using RSM‐TOPSIS hybrid approach
Authors: Faroze Faheem , Srivastava Vineet , Batish Ajay 
Published: September 2023

AbstractFused filament fabrication (FFF) is a high‐tech additive manufacturing technique with a wide range of applications, as it allows the production of functional parts with complex geometries in a reasonable time. Mechanical characteristics and dimensional accuracy must be estimated for the functional testing of products created with different polymeric materials. The mechanical characteristics and dimensional quality of manufactured parts are determined by several process variables. The purpose of this research is to determine the effect of four significant process variables (layer thickness, filament extrusion temperature, extrusion width, and printing speed) on the mechanical characteristics (tensile, three‐point bending, compression, Izod, and shear strengths) of FFF‐printed polycarbonate parts. Statistical models were created using the central composite rotatable design of the response surface methodology to demonstrate the relationship between the mechanical properties and the process factors. The accuracy of the developed models was assessed using ANOVA. TOPSIS analysis has been used to determine the optimal process conditions for achieving the optimum mechanical quality characteristics of FFF‐printed polycarbonate parts. The fractured and deformed surfaces of the test samples were examined using scanning electron microscopy.Highlights
Effect of process variables on mechanical properties of FFF‐printed PC parts was analyzed.
Quadratic models based on the CCRD design of RSM methodology have been developed.
The models correlate the mechanical characteristics to the process variables.
ANOVA was used to determine the developed model's adequacy.
TOPSIS was used to optimize the process conditions.
Genetic variation in Loudetia simplex supports the presence of ancient grasslands in Madagascar
Authors: Tiley George P. , Crowl Andrew A. , Almary Tchana O. M. , Luke W. R. Quentin , Solofondranohatra Cédrique L. , Besnard Guillaume , Lehmann Caroline E. R. , Yoder Anne D. , Vorontsova Maria S. 
Published: September 2023

Societal Impact StatementRecognizing Loudetia‐dominated grasslands were widespread prior to human colonization highlights that open ecosystems were and continue to be an important component of Madagascar's biodiversity. A better understanding of the plant species that form grassland ecosystems is necessary for effective land management strategies that support livelihoods, but substantial financial and logistical barriers exist to implementing conservation genetic studies using contemporary genomic tools. Some challenges for population genetic analyses of non‐model polyploids lacking reference genomes can be ameliorated by developing computational resources that leverage a cost‐effective data generation strategy that requires no prior genetic knowledge of the target species. This may benefit conservation programs with small operating budgets while reducing uncertainty compared to status quo microsatellite assays.Summary

The extent of Madagascar's grasslands prior to human colonization is unresolved. We used population genetic analyses of a broadly dominant C4 fire‐adapted grass, Loudetia simplex, as a proxy for estimating grassland change through time. We carefully examined the utility of target‐enrichment data for population genetics to make recommendations for conservation genetics. We explored the potential of estimating individual ploidy levels from target‐enrichment data and how assumptions about ploidy could affect analyses.
We developed a novel bioinformatic pipeline to estimate ploidy and genotypes from target‐enrichment data. We estimated standard population genetic summary statistics in addition to species trees and population structure. Extended Bayesian skyline plots provided estimates of population size through time for empirical and simulated data.
All Malagasy L. simplex individuals sampled in this study formed a clade and possibly indicated an ancestral Central Highland distribution of 800 m in altitude and above. Demographic models suggested grassland expansions occurred prior to the Last Interglacial Period and supported extensive grasslands prior to human colonization. Though there are limitations to target‐enrichment data for population genetic studies, we find that analyses of population structure are reliable.
Genetic variation in L. simplex supports widespread grasslands in Madagascar prior to the more recent periods of notable paleoclimatic change. However, the methods explored here could not differentiate between paleoclimatic change near the Last Glacial Maximum and anthropogenic effects. Target‐enrichment data can be a valuable tool for analyses of population structure in the absence a reference genome.
CC+: A searchable database of validated coiled coils in PDB structures and AlphaFold2 models
Authors: Kumar Prasun , Petrenas Rokas , Dawson William M. , Schweke Hugo , Levy Emmanuel D. , Woolfson Derek N. 
Published: September 2023

Abstractα‐Helical coiled coils are common tertiary and quaternary elements of protein structure. In coiled coils, two or more α helices wrap around each other to form bundles. This apparently simple structural motif can generate many architectures and topologies. Coiled coil‐forming sequences can be predicted from heptad repeats of hydrophobic and polar residues, hpphppp, although this is not always reliable. Alternatively, coiled‐coil structures can be identified using the program SOCKET, which finds knobs‐into‐holes (KIH) packing between side chains of neighboring helices. SOCKET also classifies coiled‐coil architecture and topology, thus allowing sequence‐to‐structure relationships to be garnered. In 2009, we used SOCKET to create a relational database of coiled‐coil structures, CC+, from the RCSB Protein Data Bank (PDB). Here, we report an update of CC+ following an update of SOCKET (to Socket2) and the recent explosion of structural data and the success of AlphaFold2 in predicting protein structures from genome sequences. With the most‐stringent SOCKET parameters, CC+ contains ≈12,000 coiled‐coil assemblies from experimentally determined structures, and ≈120,000 potential coiled‐coil structures within single‐chain models predicted by AlphaFold2 across 48 proteomes. CC+ allows these and other less‐stringently defined coiled coils to be searched at various levels of structure, sequence, and side‐chain interactions. The identified coiled coils can be viewed directly from CC+ using the Socket2 application, and their associated data can be downloaded for further analyses. CC+ is available freely at http://coiledcoils.chm.bris.ac.uk/CCPlus/Home.html. It will be updated automatically. We envisage that CC+ could be used to understand coiled‐coil assemblies and their sequence‐to‐structure relationships, and to aid protein design and engineering.