bluuebunny/crossref_metadata_2025 huggingface dataset:
Making Bioinformatics Training Events and Material More Discoverable Using TeSS, the ELIXIR Training Portal
Authors: Bacall Finn , Apaolaza Aitor , Andrabi Munazah , Child Chris , Goble Carole , Sand Olivier , Botzki Alexander
Published: February 2023

Many trainers and organizations are passionate about sharing their training material. Sharing training material has several benefits, such as providing a record of recognition as an author, offering inspiration to other trainers, enabling researchers to discover training resources for their personal learning path, and improving the training resource landscape using data‐driven gap analysis from the bioinformatics community. In this article, we present a series of protocols for using the ELIXIR online training registry Training eSupport System (TeSS). TeSS provides a one‐stop shop for trainers and trainees to discover online information and content, including training materials, events, and interactive tutorials. For trainees, we provide protocols for registering and logging in and for searching and filtering content. For trainers and organizations, we also show how to manually or automatically register training events and materials. Following these protocols will contribute to promoting training events and add to a growing catalog of materials. This will concomitantly increase the FAIRness of training materials and events. Training registries like TeSS use a scraping mechanism to aggregate training resources from many providers when they have been annotated using Bioschemas specifications. Finally, we describe how to enrich training resources to allow for more efficient sharing of the structured metadata, such as prerequisites, target audience, and learning outcomes using Bioschemas specification. As increasing training events and material are aggregated in TeSS, searching the registry for specific events and materials becomes crucial. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Searching for training events and materials in TeSS

Support Protocol: Integrating TeSS widgets on your website

Basic Protocol 2: Logging in to TeSS using an institutional account

Alternate Protocol: Creating and logging in to a TeSS account

Basic Protocol 3: Manual registration of training events in TeSS

Basic Protocol 4: Manual registration of training materials in TeSS

Basic Protocol 5: Registration of a content provider in TeSS

Basic Protocol 6: Automated harvesting of training events and materials in TeSS
Persistent decadal differences in plant communities assembled under contrasting climate conditions
Authors: Eckhoff Kathryn D. , Scott Drew A. , Manning George , Baer Sara G.
Published: February 2023

Plant community assembly outcomes can be contingent upon establishment year (year effects) due to variations in the environment. Stochastic events such as interannual variability in climate, particularly in the first year of community assembly, contribute to unpredictable community outcomes over the short term, but less is known about whether year effects produce transient or persistent states on a decadal timescale. To test for short‐term (5‐year) and persistent (decadal) effects of establishment year climate on community assembly outcomes, we restored prairie in an agricultural field using the same methods in four different years (2010, 2012, 2014, and 2016) that captured a wide range of initial (planting) year climate conditions. Species composition was measured for 5 years in all four restored prairies and for 9 and 11 years in the two oldest restored prairies established under average precipitation and extreme drought conditions. The composition of the four assembled communities showed large and significant differences in the first year of restoration, followed by dynamic change over time along a similar trajectory due to a temporary flush of annual volunteer species. Sown perennial species eventually came to dominate all communities, but communities remained distinct from each other in year five. Precipitation in June and July of the establishment year explained short‐term coarse community metrics (i.e., species richness and grass/forb cover), with wet establishment years resulting in a higher cover of grasses and dry establishment years resulting in a higher cover of forbs in restored communities. Short‐term differences in community composition, species richness, and grass/forb cover in restorations established under average precipitation and drought conditions persisted for 9–11 years, with low interannual variability in the composition of each prairie over the long term, indicating persistently different states on a decadal timescale. Thus, year effects resulting from stochastic variation in climate can have decadal effects on community assembly outcomes.
Social network analysis of white‐tailed deer scraping behavior: Implications for disease transmission
Authors: Egan Michael E. , Pepin Kim M. , Fischer Justin W. , Hygnstrom Scott E. , VerCauteren Kurt C. , Bastille‐Rousseau Guillaume
Published: February 2023

Host contact structure affects pathogen transmission in host populations, but many measures of host contact do not distinguish contacts that are relevant to pathogen transmission from those that are not. Scrapes are sites for chemical communication by white‐tailed deer (Odocoileus virginianus) during the breeding season and potential sites of transmission of prions, the causative agent of chronic wasting disease (CWD). Scrape‐related behaviors vary in their probability of transmitting prions to or from the environment, suggesting that behavior be combined with contact structure to better reflect potential heterogeneity in prion transmission at scrapes. We recorded visits and behaviors by deer at scrapes throughout DeSoto National Wildlife Refuge, Nebraska in 2005 and 2006. We recorded 2013 interactions by 169 unique identifiable males and 75 females. Adult males performed the most scrape‐related behaviors and spent the most time at scrapes, especially smelling the overhanging branch (70%), smelling the scrape (59%), licking/grasping the overhanging branch (44%), and scraping (36%). We used social network analysis to test the effect of behavior on indirect contact networks among deer at scrapes. By weighting edges based on the frequency and duration of behaviors, we produced networks representing sources of variation in scrape use and compared these networks to evaluate the effects of behavior on network contact structure. Social networks based on scrape‐related behavior were highly connected and dependent upon the frequency, duration, and type of behavior exhibited at scrapes (e.g., scraping, interacting with a scrape or overhanging branch, rub‐urinating, grazing) as well as the age of the deer. Accounting for contact frequency produced networks with lower variation in contact, but higher ability to facilitate contact among disparate groups. Including behavior when defining edges did not preserve the network properties of simpler measures (i.e., unweighted networks) suggesting that heterogeneity in behaviors that affect transmission probability is important for inferring transmission networks from contact networks. High connectivity through indirect contacts suggests that scrapes may be effective targets for management. Adult male deer had the highest connectivity, suggesting that management strategies focused on reducing their interaction with scrapes through density reduction or behavioral modification could reduce the connectivity of indirect contact networks.
Enhancing nutritional quality of spray‐dried concentrated watermelon juice using watermelon by‐product carrier blends
Authors: Milczarek Rebecca R. , Sedej Ivana
Published: February 2023

Blends of watermelon (Citrullus lanatus) by‐products (freeze‐dried and ground into powders) and maltodextrin were used as carriers for the pilot‐scale spray drying of preconcentrated watermelon juice. Watermelon juice was first concentrated to 65 °Brix via forward osmosis and then diluted to 16 °Brix. The concentrate was mixed with 25% w/w carrier using one of five carrier blends: 100% maltodextrin, 11% rind (89% maltodextrin), 11% pomace (89% maltodextrin), 25% rind (75% maltodextrin), and 25% pomace (75% maltodextrin). The powders were analyzed for moisture content, water activity, color, true density, bulk density, lycopene and citrulline contents, and total soluble phenolics and antioxidant activity Results indicated that carrier composition had a significant (p < 0.05) effect on all the quality metrics. Powders with any amount of by‐product carrier had higher a* color value than the 100% maltodextrin control. All of the by‐product carrier blends conferred an increase of at least fivefold in lycopene, 1.5‐fold in citrulline, and 1.3‐fold in total soluble phenolics, compared to the all‐maltodextrin carrier. The results of this work will inform the development of new environmentally‐sustainable processing strategies for watermelon juice powder.
Real‐world safety of neurohormonal antagonist initiation among older adults following a heart failure hospitalization
Authors: Goyal Parag , Zullo Andrew R. , Gladders Barbara , Onyebeke Chukwuma , Kwak Min Ji , Allen Larry A. , Levitan Emily B. , Safford Monika M. , Gilstrap Lauren
Published: February 2023

Aims

To optimize guideline‐directed medical therapy for heart failure, patients may require the initiation of multiple neurohormonal antagonists (NHAs) during and following hospitalization. The safety of this approach for older adults is not well established.

Methods and results

We conducted an observational cohort study of 207 223 Medicare beneficiaries discharged home following a hospitalization for heart failure with reduced ejection fraction (HFrEF) (2008–2015). We performed Cox proportional hazards regression to examine the association between the count of NHAs initiated within 90 days of hospital discharge (as a time‐varying exposure) and all‐cause mortality, all‐cause rehospitalization, and fall‐related adverse events over the 90 day period following hospitalization. We calculated inverse probability‐weighted hazard ratios (IPW‐HRs) with 95% confidence intervals (CIs) comparing initiation of 1, 2, or 3 NHAs vs. 0. The IPW‐HRs for mortality were 0.80 [95% CI (0.78–0.83)] for 1 NHA, 0.70 [95% CI (0.66–0.75)] for 2, and 0.94 [95% CI (0.83–1.06)] for 3. The IPW‐HRs for readmission were 0.95 [95% CI (0.93–0.96)] for 1 NHA, 0.89 [95% CI (0.86–0.91)] for 2, and 0.96 [95% CI (0.90–1.02)] for 3. The IPW‐HRs for fall‐related adverse events were 1.13 [95% CI (1.10–1.15)] for 1 NHA, 1.25 [95% CI (1.21–1.30)] for 2, and 1.64 [95% CI (1.54–1.76)] for 3.

Conclusions

Initiating 1–2 NHAs among older adults within 90 days of HFrEF hospitalization was associated with lower mortality and lower readmission. However, initiating 3 NHAs was not associated with reduced mortality or readmission and was associated with a significant risk for fall‐related adverse events.
Comparison of the Sensitivity of Tetragonisca angustula (Apidae-Meliponini) and Apis mellifera (Apidae-Apini) to Three Insecticides (Malathion, Imidacloprid, and Fipronil) Used in Costa Rica
Authors: Mena Freylan , Berrocal Silvia , Solano Karla , Herrera Eduardo , Gallardo Mario , Jiménez Katherine , Aguilar Ingrid , Pinnock-Branford Margaret
Published: February 2023

The decline of insect pollinators is a significant concern within the current biodiversity crisis. The paradox between the benefits that these animals represent to humans and the evidence of human activities driving their extinction calls for the urgent protection of bees. To address the role of chemical pollution in this scenario, we assessed the acute toxicity as well as four biomarker responses (cholinesterase [ChE], glutathione S-transferase, catalase, and lipid peroxidation [LPO]) elicited by dietary 24-h exposure to three insecticides (malathion, imidacloprid, and fipronil) on the stingless neotropical bee Tetragonisca angustula and the honeybee Apis mellifera. Malathion was the most toxic substance to both species, with 48-h median lethal doses (LD50s) of 0.25 ng/bee to A. mellifera and 0.02 ng/bee to T. angustula. Fipronil was also highly toxic and presented a similar toxicity to both species, with 48-h LD50s of 0.5 ng/bee (A. mellifera) and 0.4 ng/bee (T. angustula). Imidacloprid had the lowest acute toxicity with a 48-h LD50 of 29 ng/bee for A. mellifera, whereas T. angustula tolerated exposure higher than 35 ng/bee. Apparent biomarker responses were observed in bees of both species that survived exposure to higher concentrations of malathion (ChE inhibition) and fipronil (increased LPO). Our results suggest that specific sensitivity to insecticides varies greatly among compounds and pollinator species, but the use of different representative species can facilitate the prioritization of substances regarding their risk to pollinators. Further research is necessary to better characterize the risk that pesticides represent in neotropical agricultural landscapes. Environ Toxicol Chem 2023;42:1022–1031. © 2023 SETAC
Variation in the Chemical Sensitivity of Earthworms from Field Populations to Imidacloprid and Copper
Authors: Duque Tomás , Nuriyev Rufat , Römbke Jörg , Schäfer Ralf B. , Entling Martin H.
Published: February 2023

The chemical risk of pesticides for nontarget soil macroorganisms has mainly been assessed using the compost earthworm Eisenia fetida. However, E. fetida does not occur in agroecosystems, and it is generally less sensitive than other earthworm species. Thus, the extrapolation of its response to pesticides to other earthworm species may lead to uncertainties in risk assessment. Because toxicity data for other earthworms are scarce, we assessed the chemical sensitivity of five species (Allolobophora chlorotica, Aporrectodea caliginosa, Aporrectodea longa, Aporrectodea rosea, and Lumbricus rubellus) from different habitats (forests, wetlands, and grasslands), as well as E. fetida, to imidacloprid and copper in single-species acute toxicity tests. In addition, we examined the relationship between earthworm traits (ecotype and weight), habitat characteristics (ecosystem type and soil pH), and chemical sensitivity. The lower limits of the hazardous concentration affecting 5% (HC5) of species were 178.99 and 0.32 mg active ingredient/kg dry weight for copper and imidacloprid, respectively. Some concentrations that have been measured in European agroecosystems for both pesticides were above the HC5s, indicating toxic risks for these organisms. Furthermore, soil pH from the sampling habitat played a significant role, with earthworms sampled from extremely acidic soils being less sensitive to copper than earthworms from neutral soils. In addition, endogeic earthworms were more sensitive to imidacloprid than epigeic earthworms. This may translate to changes in soil functions such as bioturbation, which is mainly carried out by endogeic earthworms. Our results suggest that risk assessment should include a wider range of earthworms covering different habitats and ecosystem functions to achieve a better protection of the biological functions carried out by these key soil organisms. Environ Toxicol Chem 2023;42:939–947. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Financial development, institutions, and economic growth nexus: A spatial econometrics analysis using geographical and institutional proximities
Authors: Ahmad Mahyudin , Law Siong Hook
Published: February 2023

This paper investigates the nexus between financial development (FD), institutions, and economic growth using a spatial autoregressive model on a panel dataset of 82 countries from 1990 to 2019. We measure the dependence between countries through geographical and institutional proximity. The latter has not been widely explored in the finance‐growth literature. The concept of institutional proximity proposes that countries with similar institutions will have similar levels of economic growth and larger spillovers once spatial effects of FD and institutional quality are controlled. Overall, our findings support this proposition, as FD and political institutions are shown to have significant positive effects on growth. However, the growth‐effect of FD becomes negative beyond a certain threshold. We also find significant positive spatial lag growth in the model, indicating the presence of indirect spillover effects of FD and institutions on the growth of neighbouring countries in both geographical and institutional spheres. Furthermore, the spatial growth model with the institutional proximity matrix exhibits a higher rate of convergence and larger size of spillover than the model with geographical proximity. These findings are robust to various model specifications, and the paper concludes with some policy recommendations.
2‐Deoxy‐D‐glucose simultaneously targets glycolysis and Wnt/β‐catenin signaling to inhibit cervical cancer progression
Authors: Su Min , Shan Shidong , Gao Yang , Dai Mengyuan , Wang Hua , He Can , Zhao Mengna , Liang Ziyan , Wan Shimeng , Yang Junyuan , Cai Hongbing
Published: February 2023

Cervical cancer is one of the most common female malignant tumors, with typical cancer metabolism characteristics of increased glycolysis flux and lactate accumulation. 2‐Deoxy‐D‐glucose (2‐DG) is a glycolysis inhibitor that acts on hexokinase, the first rate‐limiting enzyme in the glycolysis pathway. In this research, we demonstrated that 2‐DG effectively reduced glycolysis and impaired mitochondrial function in cervical cancer cell lines HeLa and SiHa. Cell function experiments revealed that 2‐DG significantly inhibited cell growth, migration, and invasion, and induced G0/G1 phase arrest at non‐cytotoxic concentrations. In addition, we found that 2‐DG down‐regulated Wingless‐type (Wnt)/β‐catenin signaling. Mechanistically, 2‐DG accelerated the degradation of β‐catenin protein, which resulted in the decrease of β‐catenin expression in both nucleus and cytoplasm. The Wnt agonist lithium chloride and β‐catenin overexpression vector could partially reverse the inhibition of malignant phenotype by 2‐DG. These data suggested that 2‐DG exerted its anti‐cancer effects on cervical cancer by co‐targeting glycolysis and Wnt/β‐catenin signaling. As expected, the combination of 2‐DG and Wnt inhibitor synergistically inhibited cell growth. It is noteworthy that, down‐regulation of Wnt/β‐catenin signaling also inhibited glycolysis, indicating a similar positive feedback regulation between glycolysis and Wnt/β‐catenin signaling. In conclusion, we investigated the molecular mechanism by which 2‐DG inhibits the progression of cervical cancer in vitro, elucidated the interregulation between glycolysis and Wnt/β‐catenin signaling, and preliminarily explored the effect of combined targeting of glycolysis and Wnt/β‐catenin signaling on cell proliferation, which provides more possibilities for the formulation of subsequent clinical treatment strategies.
Porous honeycomb film membranes enhance endothelial barrier integrity in human vascular wall bilayer model compared to standard track‐etched membranes
Authors: Ebrahim Neven A. , Mwizerwa Olive N. , Ekwueme Emmanuel C. , Muss Tessa E. , Ersland Erik E. , Oba Takahiro , Oku Keisuke , Nishino Masafumi , Hikimoto Daichi , Miyoshi Hayato , Tomotoshi Kimihiko , Neville Craig M. , Sundback Cathryn A.
Published: February 2023

In vitro vascular wall bilayer models for drug testing and disease modeling must emulate the physical and biological properties of healthy vascular tissue and its endothelial barrier function. Both endothelial cell (EC)‐vascular smooth muscle cell (SMC) interaction across the internal elastic lamina (IEL) and blood vessel stiffness impact endothelial barrier integrity. Polymeric porous track‐etched membranes (TEM) typically represent the IEL in laboratory vascular bilayer models. However, TEM stiffness exceeds that of diseased blood vessels, and the membrane pore architecture limits EC‐SMC interaction. The mechanical properties of compliant honeycomb film (HCF) membranes better simulate the Young's modulus of healthy blood vessels, and HCFs are thinner (4 vs. 10 μm) and more porous (57 vs. 6.5%) than TEMs. We compared endothelial barrier integrity in vascular wall bilayer models with human ECs and SMCs statically cultured on opposite sides of HCFs and TEMs (5 μm pores) for up to 12 days. Highly segregated localization of tight junction (ZO‐1) and adherens junction (VE‐cadherin) proteins and quiescent F‐actin cytoskeletons demonstrated superior and earlier maturation of interendothelial junctions. Quantifying barrier integrity based on transendothelial electrical resistance (TEER), membranes showed only minor but significant TEER differences despite enhanced junctional protein localization on HCF. Elongated ECs on HCF likely experienced greater paracellular diffusion than blocky ECs on TEM. Also, larger populations of plaques of connexin 43 subunit‐containing gap junctions suggested enhanced EC‐SMC communication across the more porous, thinner HCF. Compared with standard TEMs, engineered vascular wall bilayers cultured on HCFs better replicate physiologic endothelial barrier integrity.
GalaxyDock2‐HEME: Protein–ligand docking for heme proteins
Authors: Lee Changsoo , Yang Jinsol , Kwon Sohee , Seok Chaok
Published: February 2023

Prediction of protein–ligand binding poses is an essential component for understanding protein–ligand interactions and computer‐aided drug design. Various proteins involve prosthetic groups such as heme for their functions, and adequate consideration of the prosthetic groups is vital for protein–ligand docking. Here, we extend the GalaxyDock2 protein–ligand docking algorithm to handle ligand docking to heme proteins. Docking to heme proteins involves increased complexity because the interaction of heme iron and ligand has covalent nature. GalaxyDock2‐HEME, a new protein–ligand docking program for heme proteins, has been developed based on GalaxyDock2 by adding an orientation‐dependent scoring term to describe heme iron‐ligand coordination interaction. This new docking program performs better than other noncommercial docking programs such as EADock with MMBP, AutoDock Vina, PLANTS, LeDock, and GalaxyDock2 on a heme protein–ligand docking benchmark set in which ligands are known to bind iron. In addition, docking results on two other sets of heme protein–ligand complexes in which ligands do not bind iron show that GalaxyDock2‐HEME does not have a high bias toward iron binding compared to other docking programs. This implies that the new docking program can distinguish iron binders from noniron binders for heme proteins.
Efficacy and safety of saroglitazar in real‐world patients of non‐alcoholic fatty liver disease with or without diabetes including compensated cirrhosis: A tertiary care center experience
Authors: Chaudhuri Sujit , Dutta Agnibha , Chakraborty Sunil Baran Das
Published: February 2023

Background and Aim

Saroglitazar, a dual PPAR α/γ agonist, is useful in management of NAFLD and diabetic dyslipidemia. Here, we report the safety and efficacy of saroglitazar in NAFLD patients with or without diabetes including compensated cirrhosis.

Methods

Patients, started on saroglitazar 4 mg were prospectively evaluated for 52 weeks in a tertiary care center in Eastern India. Effectiveness was measured in terms of anthropometric measurements, fasting blood glucose, LFT, lipid profile, HbA1c, and elastography parameters (LSM and CAP) measured at baseline, 24, and 52 weeks. Adverse drug reactions were monitored.

Results

A total of 112 patients were enrolled in the study, of whom 63 patients were taken up for per‐protocol analysis. Mean age was 49.11 ± 11.09 years and 46(73%) were male. Thirty‐four (54%) were nondiabetic. Eleven patients had compensated cirrhosis. There was significant improvement of LSM from baseline (11.03 ± 7.19 kPa) to 24‐week (9.29 ± 6.39 kPa) and 52‐week (8.59 ± 6.35 kPa) values respectively (P < 0.001). Significant reduction was also seen in CAP values, ALT, AST, HbA1c, LDL, total cholesterol, and triglyceride values. There was no significant weight change along the study interval. Pruritus occurred in one patient who required treatment discontinuation and another patient had mild symptomatic loose motion.

Conclusions

Saroglitazar is effective and safe in improving biochemical parameters and LSM and CAP values irrespective of weight reduction. It may be used in compensated cirrhotics with close monitoring for side effects.
Improved bounds for the oriented radius of mixed multigraphs
Authors: Babu Jasine , Benson Deepu , Rajendraprasad Deepak
Published: February 2023

A mixed multigraph is an ordered pair with a set of vertices, a multiset of unordered and ordered pairs of vertices, respectively, called undirected and directed edges. An orientation of a mixed multigraph is an assignment of exactly one direction to each undirected edge of . A mixed multigraph can be oriented to a strongly connected digraph if and only if is bridgeless and strongly connected. For each , let denote the smallest number such that any strongly connected bridgeless mixed multigraph with radius can be oriented to a digraph of radius at most . We improve the current best upper bound of on  to . Our upper bound is tight up to a multiplicative factor of 1.5 since, for every positive integer , there exists an undirected bridgeless graph of radius such that every orientation of it has a radius at least . We prove a marginally better lower bound, , for mixed multigraphs. While this marginal improvement does not help with asymptotic estimates, it clears a natural suspicion that, like, undirected graphs, may be equal to even for mixed multigraphs. En route, we show that if each edge of lies in a cycle of length at most , then the oriented radius of is at most . All our proofs are constructive and lend themselves to polynomial‐time algorithms.
Reducing the use of nil per os past midnight for inpatient diagnostic and therapeutic procedures: A quality improvement initiative
Authors: Hommel Erin , Sissoho Fatoumatta B. , Chang Karen , Suthar Krishna
Published: February 2023

Background

Pre‐procedural fasting (nil per os [NPO]) is a commonly implemented protocol to prevent aspiration during certain diagnostic and therapeutic procedures. However, evidence suggests aspiration risk is quite low. Current guidelines support a reduced fasting duration before procedures necessitating anesthesia or sedation, but many health systems persist in the use of NPO past midnight.

Objective

We aimed to reduce the use of NPO p MN before inpatient diagnostic and therapeutic procedures necessitating anesthesia or sedation by 50% within 6 months.

Design, Setting and Participants

We performed a quality improvement initiative at a single academic health system in Southeast Texas. We include the experience of patients of all ages across 4 affiliated hospitals (one main academic hospital and three community satellite hospitals).

Intervention

An interprofessional team was convened to review best practices and oversee this quality improvement initiative. Diagnostic imaging protocols previously requiring NPO were amended to reflect evidence‐based fasting requirements. A pre‐procedure clear liquid diet was also implemented.

Main Outcome and Measures

We describe the steps to implementation, feasibility of implementation as described through key process measures, and the safety of implementation (balancing measures).

Results

NPO requirements were removed from 70% of existing diagnostic imaging and therapeutic orders. After these amended protocols and the implementation of a pre‐procedure clear liquid diet, we displayed an immediate 50% reduction in NPO past midnight usage. Further stakeholder engagement/education and targeted interventions reduced NPO past midnight usage to only 33% of pre‐procedural diet orders. Surgery remains the most common indication for continued use of NPO. Aspiration events and procedural delays were rare.
Quantitative analysis of phthalates using a pyrolyzer gas chromatography/mass spectrometry method
Authors: Lee Donghyo , Kwon Jungmin , Choi Choongryul , Jeon Jinkyung , Lee Gyeonghweon
Published: February 2023

A pyrolyzer gas chromatography/mass spectrometry (GC/MS) method eliminates toxic solvents that burden our environment and can address the crucial problem of the solvent extraction GC/MS method. The purpose of this study is to establish an efficient quantitative analysis method for 10 phthalates that are regulated by the several governments. A change of concentrations over time for phthalates and internal standards was measured to verify the feasibility of using an auto sampler that facilitates analyzing multiple samples. Both standards maintained constant concentrations over the appropriate time for analysis. A certified reference material under the auspices of the Korea Research Institute of Standards and Science was used to verify the calibration curve obtained by the pyrolyzer GC/MS method, and a deviation was considered similar to the solvent extraction GC/MS method. Then, the limit of detection and limit of quantitation values were confirmed for various consumer products. To verify the reliability of the method, a comparative test with several accredited testing institutes was conducted, and the results were within the standard deviations of the results provided by the institutes. These results indicate that the pyrolyzer GC/MS method can be used in not only screening but also in accurate quantitative analysis.
Localization of cyclopropyl groups and alkenes within glycerophospholipids using gas‐phase ion/ion chemistry
Authors: Shenault De'Shovon M. , McLuckey Scott A. , Franklin Elissia T.
Published: February 2023

Shotgun lipid analysis using electrospray ionization tandem mass spectrometry (ESI‐MS/MS) is a common approach for the identification and characterization of glycerophohspholipids GPs. ESI‐MS/MS, with the aid of collision‐induced dissociation (CID), enables the characterization of GP species at the headgroup and fatty acyl sum compositional levels. However, important structural features that are often present, such as carbon–carbon double bond(s) and cyclopropane ring(s), can be difficult to determine. Here, we report the use of gas‐phase charge inversion reactions that, in combination with CID, allow for more detailed structural elucidation of GPs. CID of a singly deprotonated GP, [GP − H]−, generates FA anions, [FA − H]−. The fatty acid anions can then react with doubly charged cationic magnesium tris‐phenanthroline complex, [Mg(Phen)3]2+, to form charge inverted complex cations of the form [FA − H + MgPhen2]+. CID of the complex generates product ion spectral patterns that allow for the identification of carbon–carbon double bond position(s) as well as the sites of cyclopropyl position(s) in unsaturated lipids. This approach to determining both double bond and cyclopropane positions is demonstrated with GPs for the first time using standards and is applied to lipids extracted from Escherichia coli.
High‐Affinity Adsorbent with Honeycomb Structure for Efficient Acteoside Separation
Authors: Xiong Feng , Hao Yanyan , Xu Helin , Li Xueqin , Sun Yu , Liu Jiaxing , Chen Xi , Wei Zhong
Published: February 2023

In this study, a series of adsorbents with honeycomb structure that hyperbranched polyethyleneimine (PEI) functionalized carboxymethyl chitosan (CMC/PEI) are successfully designed for acteoside (ACT) separation. The microstructures of adsorbents are adjusted to optimum by changing the molecular weight and addition amount of PEI. The scanning electron microscope (SEM) and N2 adsorption‐desorption experiment results show that CMC/PEI‐70000‐4.5g presents the honeycomb structure with the highest specific surface area and the largest pore volume. The honeycomb structure has the multiple internal cavities, which provide sufficient space for accommodating and adsorbing ACT molecules, improving the adsorption capacity. Furthermore, this work introduces PEI on the inner and outer surface of pores and forms an amino layer, which has high‐affinity for ACT molecules and realizes the excellent selectivity. Therefore, CMC/PEI‐70000‐4.5g shows the highest adsorption capacity of 125.67 mg g−1 and selectivity of 5.38. The adsorption process of ACT can be fitted by pseudo‐second‐order kinetics, intraparticle diffusion, and Langmuir isotherm models. High‐affinity (hydrogen bond, hydrophilic attraction, and Van der Waals force) is proposed as the main driving forces for adsorption between CMC/PEI‐70000‐4.5g and ACT. This work provides a strategy to synthesize the adsorbents with honeycomb structure for bioactive components separation from natural products.
Wet Milling of Alginate Alco‐ and Hydrogel Composites: A Facile Top‐Down Approach for Continuous Production of Aerogel Microparticles
Authors: Schroeter Baldur , Jeansathawong Parnpailin , Hajnal Anja , Gurikov Pavel
Published: February 2023

Moving toward high‐throughput production of biopolymer aerogel microparticles, in this work, the wet milling process is applied to hydrogels and alcogels. Alcogels are then converted into aerogels by well‐established supercritical drying. Alginate and hybrid alginate/silica gels are used as a model system. As the Young's moduli of hydrogels significantly change when water is exchanged by ethanol, it is possible to study the effect of the gel stiffness on macroscopic and microstructural properties of the resulting aerogels. Influence of process parameters (milling speed and gap size) is also investigated. Smallest particles sizes and minimal changes in microstructure are obtained for completely solvent exchanged gels. The wet milling is shown to be a versatile method to obtain aerogel particles with diameters in the range 50–300 µm.
The influence of nonprofit financing and operations on the acquisition of unrestricted and restricted donations
Authors: Prentice Christopher R. , Clerkin Richard M.
Published: February 2023

Literature examining the impact of nonprofit financing and operational characteristics on donations is replete with studies that yield mixed and/or contradictory results. Contributing to this dearth of clarity are the limitations of relying on IRS Form 990 information as the primary data for this scholarship. Unlike audited financial statements or other types of financial reporting, Form 990 data do not discriminate between restricted and unrestricted donations. We address these limitations by exploring an underutilized database in the nonprofit literature that focuses on institutions of higher education to parse restricted and unrestricted donations. Results indicate that several financing and operational variables have disparate impacts on restricted and unrestricted donations, both absolutely and in relation to one another. Specifically, the proportion of revenue from government, leverage, age, and whether the university has a hospital or is a seminary show different relationships with total donations than they do with restricted and unrestricted donations separately. We also find that fundraising, program services revenue, prior year's donations, leverage, and whether the university has a hospital or is a seminary impacts the ratio of restricted to unrestricted donations. Literature that only looks at these factors on total donations is failing to capture whether nonprofit managers pursue different donative revenue streams and the extent to which donors reward them. This research note offers an initial examination of the nuance in the different types of donative returns in one dataset, and serves as a call to other scholars to look beyond Form 990 data for this scholarship.
Enhancement of piezoelectric β‐polymorph formation and properties of graphene oxide and PZT‐incorporated in PVDF‐HFP matrix for energy harvesting applications
Authors: Labihi Salesabil , Chakhchaoui Nabil , Eddiai Adil , El Achaby Mounir , Meddad Mounir , Cherkaoui Omar , Mazroui M'hammed
Published: February 2023

This paper presents and compares films made using the solution casting method with a mixture of poly (vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP), graphene oxide (GO), and lead zirconate titanate (PZT). The Hummers' method synthesized GO. Scanning electron microscopy (SEM), Fourier‐transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), and tensile testing were realized. The developed composite films were found to have a coherent distribution of PZT and GO in PVDF‐HFP. After that, a gradual improvement, such as an increase in the quantity of β phase, produces high piezoelectric performance. Also, the PVDF‐HFP polymer's thermal stability improved. When 0.1 wt% of PZT/GO was added, the melting temperature increased from 140 to 143°C, and the crystallization temperature from 109 to 113°C. PVDF‐HFP elastic modulus and tensile strength were also considerably reduced as PZT/GO increased. As a result, this has enabled us to develop composite films with important properties that can be used as piezoelectric materials for energy harvesting.
Effects of high‐temperature optimization and resin coating treatment on the mechanical, thermal, and morphological properties of natural kenaf fiber‐filled engineering plastic composites
Authors: Owen Macaulay M. , Achukwu Emmanuel O. , Shuib Solehuddin Bin , Ahmad Zafir Romli , Abdullah Abdul Halim , Ishiaku Umaru S.
Published: February 2023

In this study, kenaf natural fibers were coated with acetone‐thinned epoxy resin before compounding with high‐temperature polyethylene terephthalate (PET). Thus, composites of sodium hydroxide treated and epoxy‐resin coated kenaf fibers (KF) reinforced PET (CTKF‐PET) were manufactured using extrusion and compression molding techniques at an optimized 10 wt% constant fiber loading and processing temperatures of 240, 250, and 260°C, and were characterized for mechanical, thermal, and morphological performances. The obtained results showed an optimum processing temperature of 240°C with maximum mechanical and thermal properties with good interfaces between the coated fillers and the matrix, compared to those obtained at 250 and 260°C. Thermogravimetric analysis recorded maximum onset degradation and decomposition temperatures of 338.9 and 381°C with 9.5% and 13% improvements respectively after resin coating which positively impacted the constituent coated composites compared to the uncoated KF. Differential scanning calorimetry glass transition (Tg) and melting temperatures (Tm) for the CKF‐PET composites was maximum at 119.0 and 262.8°C with 2.18% and 2.8% improvements respectively compared to uncoated composites. The overall properties of all coated kenaf‐reinforced PET (CKF‐PET) and coated‐treated (CTKF‐PET) composites were higher with improved morphological properties irrespective of the processing temperature compared to the raw kenaf (KF‐PET) composites. Hence, natural fibers can be treated with resin coating to improve the thermal stabilities of natural fiber engineering plastic composites, and the interfacial adhesion between the coated‐KF and the engineering plastic matrix. The resultant composites are suitable for high‐temperature engineering applications such as the automotive and construction industries.
Antimicrobial finishing of polypropylene fabric using bioactive nanogels
Authors: Verma Chetna , Somani Manali , Rajput Vishav , Bhan Surya , Nonglang Flavius Phrangsngi , Lyngdoh Antonia , Rymbai Ridashisha , Gupta Bhuvanesh
Published: February 2023

Antimicrobial polypropylene (PP) was developed by plasma functionalization and subsequent immobilization of chitosan (CS)‐chlorhexidine (CHX) nanogels as the bioactive component. Oxygen plasma was used to create a hydrophilic surface monitored by water drop interaction with the fabric surface. CS nanogels were prepared by the ionic gelation method. The characterization of the nanogels was carried out by transmission electron microscopy (TEM) and energy dispersive X‐ray microanalysis (EDX). The functionalized fabric exhibited excellent antimicrobial nature against S. aureus and E. coli microbes. The animal studies involving mice showed that the material exhibited excellent biocompatibility in contact with the skin. There was no evidence of inflammatory cells in the histopathology. This investigation suggests that the fabric has enormous potential as infection‐resistant material in applications such as wet wipes.
Impact of Aeolus wind lidar observations on the representation of the West African monsoon circulation in the ECMWF and DWD forecasting systems
Authors: Borne Maurus , Knippertz Peter , Weissmann Martin , Martin Anne , Rennie Michael , Cress Alexander
Published: February 2023

Aeolus is the first satellite mission to acquire vertical profiles of horizontal line‐of‐sight winds globally and thus fills an important gap in the Global Observing System, most notably in the Tropics. This study explores the impact of this dataset on analyses and forecasts from the European Centre for Medium‐Range Weather Forecasts (ECMWF) and Deutscher Wetterdienst (DWD), focusing specifically on the West African Monsoon (WAM) circulation during the boreal summers of 2019 and 2020. The WAM is notoriously challenging to forecast and is characterized by prominent and robust large‐scale circulation features such as the African Easterly Jet North (AEJ‐North) and Tropical Easterly Jet (TEJ). Assimilating Aeolus generally improves the prediction of zonal winds in both forecasting systems, especially for lead times above 24 h. These improvements are related to systematic differences in the representation of the two jets, with the AEJ‐North weakened at its southern flank in the western Sahel in the ECMWF analysis, while no obvious systematic differences are seen in the DWD analysis. In addition, the TEJ core is weakened in the ECMWF analysis and strengthened on its southern edge in the DWD analysis. The regions where the influence of Aeolus on the analysis is greatest correspond to the Intertropical Convergence Zone (ITCZ) region for ECMWF and generally the upper troposphere for DWD. In addition, we show the presence of an altitude‐ and orbit‐dependent bias in the Rayleigh‐clear channel, which causes the zonal winds to speed up and slow down diurnally. Applying a temperature‐dependent bias correction to this channel contributes to a more accurate representation of the diurnal cycle and improved prediction of the WAM winds. These improvements are encouraging for future investigations of the influence of Aeolus data on African Easterly Waves and associated Mesoscale Convective Systems.
Carboxylate‐ and Sulfonate‐Containing Quinazolin‐4(3H)‐one Rings: Synthesis, Characterization, and Carbonic Anhydrase I–II and Acetylcholinesterase Inhibition Properties
Authors: Tokalı Feyzi Sinan , Alım Zuhal , Yırtıcı Ümit
Published: February 2023

Quinazolines are a group of bioactive heterocyclic compounds with a wide range of biological activities and have gained an important place in the design of active drugs with various targets due to their pharmacological properties. Carbonic anhydrase (CA) and acetylcholinesterase (AChE) inhibitors are very important pharmacologically. In this study, inhibition effects of newly synthesized quinazolin‐4(3H)‐one derivatives on human erythrocyte CA‐I (hCA‐I) and CA‐II (hCA‐II) isoenzyme and AChE activity were investigated. The structures of the novel compounds were characterized by fourier‐transform infrared (FTIR), nuclear magnetic resonance (NMR), and high‐resolution mass spectroscopy (HRMS). All molecules showed strong inhibitory effect in all three enzymes. 4‐[(4‐Oxo‐2‐(phenoxymethyl)quinazolin‐3(4H)‐ylimino)methyl]phenyl furan‐2‐carboxylate for hCA‐I (IC50: 205 nM), 4‐[(4‐oxo‐2‐(phenoxymethyl)quinazolin‐3(4H)‐ylimino)methyl]phenyl isobutyrate for hCA‐II (IC50: 209 nM), and 4‐[(4‐oxo‐2‐(phenoxymethyl)quinazolin‐3(4H)‐ylimino)methyl]phenyl propionate for AChE (IC50: 14.2 nM) were the molecules that showed the strongest inhibitory effect. Molecular docking studies were carried out to elucidate the possible interaction mechanism of the molecules in the active site of the enzymes. The affinity scores of the most active compounds for hCA‐I, hCA‐II, and AChE were determined as −134.765, −147.423, and −175.354 MolDock Score, respectively.
Biomimetic Photocatalytic System Designed by Spatially Separated Cocatalysts on Z‐scheme Heterojunction with Identified Charge‐transfer Processes for Boosting Removal of U(VI)
Authors: Dong Zhimin , Hu Shuxian , Li Zifan , Xu Jinhao , Gao Donglin , Yu Fengtao , Li Xiaoyan , Cao Xiaohong , Wang Youqun , Zhang Zhibin , Liu Yunhai , Wang Xiangke
Published: February 2023

Designing highly efficient photocatalysts with rapid migration of photogenerated charges and surface reaction kinetics for the photocatalytic removal of uranium (U(VI)) from uranium mine wastewater remains a significant challenge. Inspired by natural photosynthesis, a biomimetic photocatalytic system is assembled by designing a novel hollow nanosphere MnOx@TiO2@CdS@Au (MTCA) with loading MnOx and Au nano particles (Au NPs) cocatalysts on the inner and outer surfaces of the TiO2@CdS. The spatially separated cocatalysts efficiently drive the photogenerated charges to migrate in opposite directions, while the Z‐scheme heterogeneous shell further separates the interfacial charges. Theoretical calculation identifies multiple consecutive forward charge transfers without charge recombination within MTCA. Thus, MTCA could efficiently remove 99.61% of U(VI) after 15 min of simulated sunlight irradiation within 3 mmol L−1 NaHCO3 with 0.231 min−1 of the reduction rate constant, outperforming most previously reported photocatalysts. MTCA further significantly removes 91.83% of U(VI) from the natural uranium mining wastewater under sunlight irradiation. This study provides a novel approach to designing an ideal biomimetic photocatalyst for remediating environmental pollution.
Dynamic polymeric materials based on reversible B–O bonds with dative boron–nitrogen coordination
Authors: Zhao Zi‐Han , Li Cheng‐Hui , Zuo Jing‐Lin
Published: February 2023

To minimize the environmental pollution caused by polymeric waste, materials based  dynamic chemistry have attracted extensive attention around the world. Various dynamic covalent bonds or noncovalent interactions have been employed to design multifunctional polymers with recyclability, reprocessablility, and sustainability. Among them, polymers based on reversible boron–oxygen (B–O) bonds have been widely investigated because of their unique properties. Particularly, lots of scientists have demonstrated that the combination with boron–nitrogen (B–N) coordination can effectively accelerate the dynamicity as well as enhance the stability of B–O bonds. Therefore, numerous polymers containing dynamic B–O bonds with dative B–N coordination have been designed and synthesized in recent years. These polymers exhibit excellent versatility and great potential for diverse applications such as biosensors, battery electrolytes, and artificial skins. This review provides an overview of the comprehensive influence of dynamic B–N coordination chemistry on B–O bonds in organoboron species and highlights the developments in the area of constructing boron‐containing polymeric materials with this interesting linkage. The design guidelines, existing challenges, and future perspectives in this burgeoning field are discussed and proposed.