bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced rheological, crystallization, mechanical, and heat resistance performance of poly(L‐lactide)/basalt fibers composites via in situ formation of stereocomplex polylactide crystals
Authors: Cheng Hongda , Wang Lijuan , Han Changyu 
Published: September 2024

AbstractDue to its favorable mechanical strength, transparency, and biocompatibility, polylactic acid (PLA) has considerable potential as a biodegradable material. Nevertheless, developing high‐performance PLA composites through environmentally friendly and cost‐effective methods remains a significant challenge. In this study, the composites comprising poly(L‐lactide) (PLLA), basalt fibers (BFs), and poly(D‐lactide) (PDLA) are prepared through facile melt blending. The in situ formed stereocomplex polylactide (SC‐PLA) crystals improve the crystallization ability and rheological behavior of PLLA/BF/PDLA composites. Upon adding 5 wt% PDLA, BFs are nicely dispersed in PLLA matrix because of increased shear intensity. The synergistic effect of BFs and SC‐PLA crystals enhances the mechanical, thermomechanical, and heat resistance properties of PLLA. In particular, PLLA/BF/10%PDLA composites exhibit a Vicat Softening Temperature (VST) of 155.5°C, increasing by approximately 100°C over neat PLLA. Annealing treatment increases the Young's modulus, thermomechanical properties, and VST of samples while reducing their tensile strength. Interestingly, the tensile strength of the annealed PLLA/BF/10%PDLA composites is 50.2 MPa, twice that of the annealed neat PLLA due to the introduction of SC‐PLA crystals. Simultaneously improving the rheological, mechanical, and heat resistance performance of PLLA opens possibilities for expanding its potential applications in the industrial field.
Integrated Fatty Acid and Stable Isotope Niches Reveal Trophic Connections Among Sympatric Large‐Bodied Sharks
Authors: Roberts Chloe N. , Meyer Lauren , Hussey Nigel E. , Davidson Bruce , Cliff Geremy , Huveneers Charlie 
Published: September 2024

ABSTRACTThis study used a novel approach combining stable isotope data and condensed multivariate fatty acid data to define comparative niche space and overlap of six sympatric sharks from the south‐west Indian Ocean: Galeocerdo cuvier, Sphyrna zygaena, Sphyrna lewini, Carcharias taurus, Carcharodon carcharias and Carcharhinus obscurus. G. cuvier had the smallest fatty acid niche space but exhibited the largest range in δ13C, suggestive of foraging across multiple environments (habitat generalist) but on nutritionally similar prey in a narrow trophic band (nutritional specialist). The remaining five species had comparatively higher δ15N, pelagic‐based fatty acids and larger fatty acid niche spaces, suggesting they are nutritional generalists with a preference for higher trophic level prey. Niche space was not associated with conservation status despite declining populations for half of the species studied. This suggests that resource availability is not a limiting factor for these species and that their mobile nature provides them access to diverse habitats and resources, while exposing them to a broad range of anthropogenic threats, muting the relationship between conservation status and resource use. The combined approach allowed for a comprehensive representation of niche space, distinguishing species based on trophic level, basal carbon sources and pelagic and coastal prey consumption. The presented integrated approach provides greater detail and resolution of elasmobranch trophic ecology that could not be achieved with either fatty acid or stable isotope analysis alone.
Primordial Molecular 1‐Bit Magnitude Comparator in Consort with Excitation‐Guided Mouldable Logic Systems: A Guided Design of Regular Interactions between Molecules
Authors: Karar Monaj , Pise Suraj , Dey Nilanjan 
Published: September 2024

AbstractIn addition to designing certain excitation modulated logic systems, we have created the first‐ever genuine molecular 1‐bit magnitude comparator, using acid and base guided varied absorption responses at separate channels. Designed and manufactured Bifunctional Bis(indolyl)methane Derivative (1) demonstrates distinct optical responses (in UV‐visible and fluorescence mode) to a range of chemical stimuli (acid, base, Hg2+, Cu2+, EDTA, GSH, etc.) in aqueous medium. Intriguingly, the compound's excitation‐modulated fluorescence responses appeared to change at different detection channels depending on whether the aforementioned analytes were present or not. We have proposed not only an excitation driven logic system with switchable molecular IMPLICATION and XNOR logic gates, but also a molecular 1‐bit magnitude comparator in our proposal. A second excitation driven logic system with switchable molecular COMPLEMENT and NOR logic gates was also designed with two different optical channels and used Hg(II) & Cu(II) as chemical inputs.
Developing Service Line Inventories: Guidance for Utilities With Limited Lead Lines
Authors: McTigue Nancy E. , Cornwell David A. , Brown Richard , Skipper Everett , Green Erika 
Published: September 2024

Key TakeawaysIn the United States, all community and nontransient noncommunity water systems are required to submit an inventory describing the location and makeup of all service lines in their service areas.While the material can be designated as lead, galvanized requiring replacement, nonlead, or unknown, the last two designations require additional steps to be taken in the proposed Lead and Copper Rule Improvements (LCRI).Some utilities have few or no lead service lines, and this inventory requirement, issued by the US Environmental Protection Agency (EPA), may be burdensome to those utilities.This article demonstrates the methodology in EPA's proposed LCRI for verification of construction material, and an alternate validation procedure is proposed.
Proactive Leak Notification Programs Advance Conservation
Authors: Hans Liesel 
Published: September 2024

Key TakeawaysProactive leak notification programs provide many benefits, including reducing water waste, keeping customer bills lower, and reducing staff time and resources on calls, bill adjustments, and billing disputes.Leak notification programs can benefit from advanced metering infrastructure to identify water use patterns that indicate the presence of a leak or another problem.Utilities should reach out through multiple communication channels to notify customers as quickly as possible after a leak is identified.Proactively notifying customers of potential leaks leads to higher customer satisfaction and greater community trust.
Engineering of heterobifunctional biopolymers for tunable binding and precipitation of Strep‐Tag proteins and virus‐like nanoparticles
Authors: Tang James , Becker Matthew , Lenhoff Abraham , Chen Wilfred 
Published: September 2024

AbstractAffinity precipitation is a powerful separation method in that it combines the binding selectivity of affinity chromatography with precipitation of captured biomolecules via phase separation triggered by small changes in the environment, e.g., pH, ionic strength, temperature, light, etc. Elastin‐like polypeptides (ELPs) are thermally responsive biopolymers composed of pentapeptide repeats VPGVG that undergo reversible phase separation, where they aggregate when temperature and/or salt concentration are increased. Here we describe the generation of an ELP fusion to a soluble streptavidin mutant that enables rapid purification of any Strep‐tag II fusion protein of interest. This heterobifunctional protein takes advantage of the native tetrameric structure of streptavidin, leading to binding‐induced multivalent crosslinking upon protein capture. The efficient biotin‐mediated dissociation of the bound Strep‐tag II fusion protein from the streptavidin‐ELP capturing scaffold allows for mild elution conditions. We also show that this platform is particularly effective in the purification of a virus‐like particle (VLP)‐like E2 protein nanoparticle, likely because the high valency of the protein particle causes binding‐induced crosslinking and precipitation. Considering the importance of VLP for gene therapy applications, we believe this is a particularly exciting advance. We demonstrated this feasibility by the efficient purification of a VLP‐like E2 protein nanoparticle as a surrogate.
Metabolic engineering of rapidly growing Synechococcus elongatus strains for phototrophic production of alkanes
Authors: Srivastava Vaibhav , Sarnaik Aditya P. , Wangikar Pramod P. 
Published: September 2024

AbstractAlkanes are high‐energy hydrocarbons that are foreseen as next generation biofuels. Cyanobacteria are known to naturally synthesize C15–C19 alkanes; however, the titers are too low to make this a commercially viable process. Therefore, to leverage these photosynthetic platforms for improved alkane production, here we engineered three novel isolates of Synechococcus elongatus PCC 11801, PCC 11802, and IITB6. The two gene AAR‐ADO alkane biosynthesis pathway was constructed by cloning the genes for acyl‐ACP reductase (aar) and aldehyde deformylating oxygenase (ado) from S. elongatus PCC 7942 under the regulation of PrbcL promoter from PCC 7942 and native promoters from PCC 11801 such as PcpcB300, PpsbAI, and PpsbAIII. The genes were separately cloned under two different promoters, creating a library of the engineered strains. The results indicated that the engineered strains of novel S. elongatus isolates produced significantly higher amounts of alkanes than the model strain PCC 7942. The highest alkane yield achieved was 4.1 mg/gDCW in BG‐11, while the highest titer was 31.5 mg/L in 5X BG‐11, with an engineered IITB6 strain (PcpcB300:aar:TrrnB::PrbcL:ado:TLac). Overall, the study highlights the potential of newly isolated S. elongatus strains as efficient alkane production platforms.
Crotalaria quinquefolia L. Revealed as a Potential Source of Neuropharmacophore in Both Experimental and Computational Studies
Authors: Hasan Zilani Md. Nazmul , Nahar Nazmun , Shome Anamika , Tareq Md. Mohaimenul Islam , Biswas Partha , Bibi Shabana , Alshammari Abdulrahman , Albekairi Norah A. , Alqahtani Hosam M. , Hasan Md. Nazmul 
Published: September 2024

AbstractHerbal remedies have shown great promise for improving human health. The plant Crotalaria quinquefolia is used in folk medicine to cure different diseases, including scabies, fever, discomfort, and lung infections. The present research was designed to explore bioactive compounds and evaluate the neuropharmacological effects of C. quinquefolia extract through in vivo and in silico approaches. Different secondary metabolites as well as the antioxidant activity were measured. Furthermore, chemical compounds were identified by HPLC and GCMS analysis. The neuropharmacological activity was examined by hole cross, hole board, open field, Y–maze, elevated plus maze, and thiopental sodium induced sleeping time tests in mice at doses of 100 mg/kg and 200 mg/kg b.w. (p.o). Besides, an in‐silico study was performed on proteins related to Alzheimer disease. The extract showed a significant content of secondary metabolites and antioxidant potential. The in‐silico analysis showed that myricetin, quercetin, rutin, and kaempferol have good binding affinity with studied proteins, and QSAR studies revealed potential benefits for treating dementia, and age‐related macular degeneration. The findings of the present neurological activity collectively imply that the extract has strong CNS depressant and anxiolytic activity. Therefore, C. quinquefolia can be a potential source of compounds to treat Alzheimer disease.
Age‐related structural remodelling of the coronary circulation
Authors: Faria Daniel , Lombardi Marco , van der Hoeven Nina , Travieso Alejandro , Heemelaar Julius C. , Nijjer Sukhjinder S. , Mejía‐Rentería Hernán , de Waard Guus A. , Sen Sayan , van de Hoef Tim P. , Petraco Ricardo , Echavarría‐Pinto Mauro , Piek Jan J. , Davies Justin E. , van Royen Niels , Escaned Javier 
Published: September 2024

AbstractBackgroundWhile it is broadly accepted that ageing is associated with impairment of coronary microvascular function, little is known about the underlying mechanisms.AimsWe investigated age‐related changes in coronary microvascular structure in patients with stable angina without epicardial coronary stenoses.MethodsIn an analysis of the IDEAL registry, a total of 165 vessels without coronary stenosis were interrogated with combined pressure/Doppler guidewires. We calculated diastolic microvascular conductance (DMVC) and backward expansion wave (BEW), and compared them between age tertiles. We calculated the prevalence of CMD, defined by reduced coronary flow reserve (CFR), and the prevalence of low BEW and low DMVC in each group.ResultsThe three study groups were defined as having 37–53, 54–66, and 67–77 years of age, respectively. Oldest (3rd tertile) patients showed lower hyperemic flow velocity (46.7 ± 14.4 vs. 45.1 ± 12.4 vs. 38.4 ± 11.5 cm s−1, p = 0.019), lower DMVC (1.90 ± 0.71 vs. 1.44 ± 0.56 vs. 1.37 ± 0.67 cm s−1 mmHg−1, p < 0.001) and lower BEW intensity (5.9 [2.9–8.4] vs. 4.8 [2.9–6.8] vs. 4.4 [3.4–6.3] × 106 W m−2 s−1, p = 0.094). Older age was independently associated with lower BEW intensity (B: −0.10, 95% confidence interval [CI]: −0.17 to −0.09, p = 0.021) and DMVC (B: −0.25 95% CI: −0.45 to −0.09, p = 0.027). In patients with CFR < 2.5, the prevalence of BEW intensity and DMVC below the 25th percentile increased with age (25.0% vs. 52.0% vs. 72.7%, p = 0.010).ConclusionsAgeing is independently associated with structural microcirculatory remodeling that is reflected in BEW intensity and DMVC measurements, and with an increased prevalence of structural CMD. These results are important to understand non‐obstructive mechanisms of myocardial ischemia in the elderly.
QTL mapping for wheat ferulic acid concentration using 50 K SNP chip in a recombinant inbred line population of Zhongmai 578/Jimai 22
Authors: Shawai Rabiu Sani , Tian Wenfei , Liu Siyang , Gong Xue , Liu Jindong , Cao Shuanghe , Zhang Yong , He Zhonghu 
Published: September 2024

AbstractBackground and ObjectivesFerulic acid is a prominent bioactive compound found in wheat grains, known for its beneficial health effects, prompting significant interest from breeders and producers. The aim of this study was to identify new quantitative trait loci (QTL) to aid in the development of wheat varieties with increased ferulic acid concentration (FAC).FindingsIn this study, a recombinant inbred line population, resulting from a cross between Zhongmai 578 and Jimai 22, was evaluated in five different environments. Genotyping was performed using the wheat 50 K single‐nucleotide polymorphism (SNP) array. Three stable QTL, named QFAC.caas‐2D, QFAC.caas‐3B, and QFAC.caas‐4D, were identified. These QTL explained 4.24%–7.09%, 3.7%–4.57%, and 3.20%–5.06% of the phenotypic variances, respectively. Furthermore, three SNPs closely associated with above QTL were successfully converted into kompetitive allele‐specific polymerase chain reaction (KASP) markers.ConclusionsFAC is a complex trait governed by multiple minor‐effect QTL. The successful development of KASP markers opens up avenues for marker‐assisted selection in breeding programs.Significance and NoveltyThis study establishes a genetic foundation for understanding the genetic basis of FAC in wheat. The identified QTL and developed KASP markers offer valuable insights for quality breeding initiatives and the production of functional wheat‐based foods.
Investigations of Crucial Factors for the Non‐Covalent Functionalization of Black Phosphorus (BP) using Perylene Diimide Derivatives for the Passivation of BP Nanosheets
Authors: Eisenkolb Jasmin , Lloret Vicent , Zink‐Lorre Nathalie , Pla Sara , Abellán Gonzalo , Sastre‐Santos Ángela , Hauke Frank , Fernández‐Lázaro Fernando , Hirsch Andreas 
Published: September 2024

AbstractThe non‐covalent functionalization of black phosphorus (BP) was studied with a scope of ten tailor‐made perylene diimides (PDIs). A combination of UV/Vis‐, fluorescence‐, as well as Raman spectroscopy and atomic force microscopy was used to investigate the structural factors, which contribute to a pronounced PDI‐BP interaction and thus support the protection of BP nanosheets against oxidative degradation. We were able to show, that water‐soluble, amphiphilic PDIs with highly charged head groups can be used for the non‐covalent functionalization of BP in aqueous media. Here, based on the hydrophobic effect, an efficient adsorption of the respective PDI molecules takes place and leads to the formation of a passivating film, yielding a considerable stabilization of the BP flakes under ambient conditions exceeding 30 days.
Complex network analysis for accident causes modelling to enhance process safety in chemical enterprises
Authors: Li Songming , Chen Guohua , Zhou Lixing , Zhao Yimeng , Xu Qiming , Zhao Jie 
Published: September 2024

AbstractHazardous chemicals often cause catastrophic accidents, and accidents often result from intricate interactions among various causes. Due to the varying risk factors in different areas of chemical enterprises, to achieve more precise prevention, a more detailed study of the accident risk factors in each area is necessary. Therefore, this study focuses on analyzing critical accident causes and their interrelationships in different functional areas of chemical enterprises to enhance process safety by using a complex network model. Based on 90 accident information, complex network models are constructed for hazardous chemical warehouse areas (HCWAs), tank farm areas (TFAs), and production areas (PAs). Subsequently, a topological analysis of the complex network models is conducted. Based on the PageRank algorithm, 13 critical nodes are identified for HCWAs, while 14 for TFAs and 13 for PAs. Node degree analysis with confidence quantifies mutual influences, forming critical accident causal links for each area. The research results offer decision support for precise accident risk control, aiding in reducing future accidents and improving process system safety in chemical enterprises.
Evaluation of Minimum Reporting Limits to Determine In‐Competition Use of Stimulants
Authors: Nair Vinod S. , Hanelli Fatjon A. , Moore Chad , Goodrum Jenna M. , Miller Geoffrey D. , Crouch Andre , Eichner Daniel 
Published: September 2024

ABSTRACTThe applicability of urinary minimum reporting limits (MRLs) to determine in‐competition use of prohibited substances is an evolving topic. Most stimulants are subject to a universal MRL, despite the wide range of commercially available dosages for commonly used stimulants. Further, it is unknown whether the urinary MRL is reflective of a pharmacological dose ingested after the start of the in‐competition period. To evaluate whether urinary MRLs can distinguish between in‐competition and out‐of‐competition use, a controlled administration study was performed with three commonly used stimulants—amphetamine, methylphenidate, and modafinil at relatively low but therapeutically relevant dosages. Four to six volunteers were administered a particular drug once per day for five consecutive days. Urine, serum, dried blood spots (DBS), and oral fluid (OF) were collected during the active administration period and for 48 h after cessation of use. For all participants, urinary concentrations for all target analytes exceeded the MRL even 48 h after cessation of use. In serum and DBS, most volunteers showed detectable amounts at 48 h post use. Peak concentrations were variable between target compounds even with similar administered dosages. Further, there was a reproducible difference between serum and DBS concentrations. Interpretation of results from OF measurements was challenging due to the inability to normalize for hydration status and OF viscosity. Analyte concentrations decreased steadily over the washout period but did not correlate across matrices for all target analytes. The study reiterates the challenges associated with determining in‐competition use by relying on urinary concentrations.
Pharmacokinetics of Ethyl Glucuronide and Ethyl Sulfate and Pharmacodynamic Effects Following Intravenous and Oral Administration of Ethanol to Exercised Horses
Authors: Knych Heather K. , Blea Jeff , Scollay Mary , Kass Philip H. , McKemie Daniel S. 
Published: September 2024

ABSTRACTEthanol, a central nervous system depressant and banned substance in horseracing, has reportedly been administered to horses prior to competition to “calm a horse's nerves.” In this study, the pharmacokinetics of two metabolites of ethanol were studied to better understand the behavior of this compound in the horse and provide a scientific basis for regulation of its administration. Six horses received a single intravenous (30 mL; 1200 mg) and oral (90 mL; 3600 mg) administration of ethanol (vodka, 40% ABV) in a balanced cross‐over design. Blood and urine samples were collected at various times post administration for up to 24 h. Concentrations of ethyl glucuronide and ethyl sulfate were determined using liquid chromatography–tandem mass spectrometry and pharmacokinetic analysis performed. Behavioral, locomotor activity and effects on heart rate were assessed. The maximum concentration (mean ± SD) of ethyl glucuronide was 71.5 ± 42.7 and 105.0 ± 47.5 ng/mL at 0.88 h following IV and oral administration, respectively. The maximum concentrations for the ethyl sulfate metabolite following IV and oral administration were 1.61 ± 0.60 and 3.46 ± 1.68 ng/mL, respectively. Urine concentrations of both metabolites were non‐detectable by 24 h post ethyl alcohol administration. No observable behavioral responses were noted following IV or oral administration. Significant decreases in heart rate were noted at various times starting at 10 min until 4 h post administration in the oral dose group. Both ethyl glucuronide and ethyl sulfate could be useful markers for detection of illicit administration of ethanol to horses.
S‐Aryl Substitution Enhances Acidity of the 1,2,4‐Triazolium Scaffold
Authors: Smith Matthew S. , Blundell Toby J. , Hickson Ian , O'Donoghue AnnMarie C. 
Published: September 2024

AbstractThe 1,2,4‐triazolium scaffold in asymmetric organocatalysis results in remarkable rate accelerations, with reactions typically occurring via N‐heterocyclic carbene (NHC) intermediates. Although the most acidic NHC pre‐catalyst class, there remains scope for further increases in acidity particularly for aqueous organocatalysis applications. The acidity‐enhancing effects of thio‐substituents on carbon acidity are well‐documented but not explored in the 1,2,4‐triazolium scaffold. Herein, we report the synthesis of a large series of N, N‐dialkyl‐C(3)‐S‐aryltriazolium ions and quantitative kinetic evaluation of C(5)‐H acidity. The direct attachment of S‐aryl substituents to the triazolium heterocycle results in substantial increases in protofugalities (kinetic acidities) with second order rate constants (kDO) for C(5)‐H deprotonation by DO− base that are 2.9–60.3 fold higher than for reference 1,4‐dimethyl‐1,2,4‐triazolium iodide in D2O solution. Protofugalities for the N, N‐dialkyl‐C(3)‐S‐aryltriazolium series are similar to commonly used bicyclic N‐aryl‐1,2,4‐triazolium organocatalysts despite having two electron donating N‐alkyl substituents. This highlights the future potential of this NHC design which could enable the introduction of two chiral alkyl substituents close to the C(5) carbenic position with pre‐catalyst acidity controlled by distal C(3)‐S‐aryl substitution. Detailed X‐ray structural data‐protofugality correlations enabled evaluation of the S‐aryl substituent effect origins. C(5)‐H pKa values (16.9–18.6) were calculated by utilisation of experimental protofugalities.