bluuebunny/crossref_metadata_2025 huggingface dataset:
Advancing environmentally sustainable learning health systems: Perspectives from a Canadian health center
Authors: Barber Brittany V. , Sinclair Douglas , Cassidy Christine
Published: January 2025

Background

There is increasing demand for health systems to reduce greenhouse gas emissions and invest in climate‐resilient health care. Coordinating organizational structures and processes for reducing health system emissions presents challenges. Learning health systems, defined as systems that seek to continuously generate and apply evidence, innovation, quality, and value in health care, can guide health systems with planning organizational structures and processes to advance environmentally sustainable healthcare. The purpose of this research is to gather in‐depth insight from key health system leaders and healthcare professionals to identify challenges and recommendations for planning environmentally sustainable learning health systems.

Methods

Environmental scan methods were used, comprising jurisdictional literature review and informal discussions with key informants at one tertiary care center in Nova Scotia, Canada. Key informants were asked to describe challenges of coordinating environmentally sustainable health system structures and processes, and recommendations to advance planning for environmentally sustainable learning health systems. Deductive thematic analysis was used to categorize challenges and recommendations into seven characteristics of a learning health system framework.

Results

Informal discussions with 16 key informants provide detailed descriptions of 7 challenges and recommendations for planning and coordinating organizational structures and processes to advance environmentally sustainable learning health systems. Health system challenges include limited patient and community engagement, no systematic approach to measuring and monitoring emissions data, and limited knowledge of sustainability co‐benefits and strategies for mobilizing sustainable organizational change. Recommendations include engaging patients and communities in co‐creation of sustainable healthcare, monitoring of emissions data identifying high‐impact areas for action, and well‐coordinated leadership supporting sustainable policies, procedures, and decision‐making in practice.

Conclusion

Learning health systems provide structure for establishing critical processes to adapt to routinely collected data through rapid cycle improvements, and operationalization of value‐based health care that prioritizes health outcomes, reduction of costs, and mitigating environmental impacts.
Gelatin‐Based Adhesive Hydrogels with Self‐Healing, Injectable and Temperature‐Triggered Detachable Properties
Authors: Zhou Jingjing , Cui Han , Li Sichen , Chen Jinghua , Zhang Yan
Published: January 2025

Adhesive hydrogels are emerging as attractive functional materials for various fields, such as tissue engineering, wound healing, E‐skins, etc. However, the removal of adhesive hydrogels from covered area may be painful and cause a secondary damage. In the current study, gelatin‐based hydrogels are prepared by cross‐linking with tannic acid and 4‐formylphenyl boronic acid, through simultaneous dynamic covalent boronic ester and imine bond formations. The obtained hydrogels not only present self‐healing and injectable properties, but also show tunable adhesiveness that regulated by temperature and oxidation degrees of tannic acid. The maximum adhesion strength of the hydrogels with medium oxidation degree at 37 °C can be measured up to 30 kPa on porcine skin, while the value decreased to ≈10 kPa at lowered temperature of 25 °C, facilitating the unpainful removal of the hydrogels from skins. This work provides a new approach for the design of functional hydrogels with tailorable adhesiveness.
Thermoresponsive Behaviors of Core‐Crosslinked Star Polymers Composed of Amino Acid‐Derived Vinyl Polymers in an Aqueous Solution
Authors: Nishimura Shin‐nosuke , Kamiya Momoka , Higashi Nobuyuki , Koga Tomoyuki
Published: January 2025

Amino acid‐derived vinyl polymers are of great interest as bio‐based thermoresponsive soft materials with diverse applications in the industrial, biomedical, and cosmetic fields. In this study, 14 distinct core‐crosslinked stars (CCS) polymers are synthesized by reversible addition–fragmentation chain transfer polymerization of N‐acryloyl amino acid (X)‐methyl esters (X = alanine, β‐alanine, or glycine), followed by a core–gel approach. These CCS polymers have the following systematic variations in their molecular architecture: i) three types of amino acid‐based polymer arms with the same chain lengths but different arm numbers, ii) different combinations of amino acid species in the arm and core segments, and iii) heteroarm composition (i.e., miktoarm type). All CCS polymers are water‐soluble and exhibited lower critical solution temperature (LCST) behaviors. The thermal responses are strongly dependent on structural factors, such as arm species (hydrophobicity), arm number, and polymer shape. The transition temperatures of the CCS polymers are lower than those of the corresponding linear polymers with almost the same molecular weight, particularly when the arm polymers has relatively high hydrophilicity. Furthermore, tunable LCST behaviors (20–55 °C) are achieved for miktoarm‐type CCS polymers by adjusting heteroarm composition. These findings provide useful insights into the thermoresponsive behaviors of bio‐based CCS polymers.
Selected Recent Advances in the Utilization of Biopolymers for Nano‐ and Microfiber Materials and Nonwovens Production
Authors: Winnacker Malte
Published: January 2025

When the variety of synthetic polymers came up in the 20th century, they expectedly replaced many fiber materials which were made so far from biopolymers since ancient times (e.g., for textiles, medical products, etc.). Meanwhile, to some extent, there is a strong revival of various fibers from biopolymers regarding their utilization for various applications, based on their interesting structures, availability, sustainability, costs, and other factors. Regarding bioeconomy and sustainability, there has thus been an intensive market dynamic for biopolymers. Therefore, especially a variety of fiber materials have recently been described that are based on different biopolymers as, e.g., polysaccharides and biopolyesters. For this, a variety of enhanced polymer structure modification and sophisticated processing methods are applied. Instead of a complete and comprehensive overview (which would be beyond the scope of this Perspective format), the aim of this article is to elucidate some selected recent advantages in this field and to focus on the special features of these examples.
The Design, Synthesis, and Characterization of Photochromic and Mechanochromic Functional Fibers
Authors: Wang Deqiang , Ge Yifan , Chen Fengbiao , Deng Hairui , Liu Yang , Chen Yinjun
Published: January 2025

Mechanically responsive polymer materials have garnered significant interest due to their unique ability to respond to external forces, leading to groundbreaking applications in visual stress mapping and damage detection. However, their use in fibers remains relatively unexplored. In this study, a mechanoresponsive polymer is synthesized by incorporating a spiropyran (SP) mechanophore into a polyurethane backbone. Based on this mechanoresponsive polyurethane, mechanochromic fibers are fabricated via solution spinning. The fibers exhibits a clear color change from colorless to blue when subjected to external tensile stress or ultraviolet irradiation, triggered by the activation of the SP mechanophore. Furthermore, the mechanical sensitivity of the fibers can be tailored by adjusting the orientation of the polymer chains through hot stretching. Fibers subjected to higher pre‐stretching during post‐processing displayed a mechanochromic response at lower strain levels. Various pre‐stretched fibers are then made into a barcode, which exhibits distinct dynamic information via color change during stretching. The innovative application of function fibers, capable of storing information through mechanochromic response, offers a novel approach to the development of anti‐counterfeit fibers.
Thermometer Ions, Internal Energies, and In‐Source Fragmentation in Ambient Ionization
Authors: Bertrand Emilie , Gabelica Valérie
Published: January 2025

Ionization and fragmentation are at the core of mass spectrometry. But they are not necessarily separated in space, as in‐source fragmentation can also occur. Here, we survey the literature published since our 2005 review on the internal energy and fragmentation in electrospray ionization sources. We present new thermometer molecules to diagnose and quantify source heating, provide tables of recommended threshold (E0) and appearance energies (Eapp) for the survival yield method, and attempt to compare the softness of a variety of ambient pressure ionization sources. The droplet size distribution and desolvation dynamics play a major role: lower average internal energies are obtained when the ions remain protected by a solvation shell and spend less time nakedly exposed to activating conditions in the transfer interface. Methods based on small droplet formation without charging can thus be softer than electrospray. New dielectric barrier discharge sources can gas‐phase ionize small molecules while conferring barely more internal energy than electrospray ionization. However, the tuning of the entire source interface often has an even greater influence on ion internal energies and fragmentation than on the ionization process itself. We hope that this review will facilitate further research to control and standardize in‐source ion activation conditions, and to ensure the transferability of data and research results in mass spectrometry.
Implementation of Taguchi design for dry sliding wear of high density polyethylene/silicon carbide composite
Authors: Bera T. , Mohanty S.
Published: January 2025

The present work focus on the optimization of dry sliding wear behavior operating parameters of high density polyethylene/silicon carbide composites carried out with Taguchi method. The various control factors such as filler content, applied load and sliding velocity were selected at three different levels of each. The specific wear rate and coefficient of friction were selected as performance output. The dry sliding wear studies revealed that the coefficient of friction increases with an increase in applied load and sliding velocity. The specific wear rate for all composites increased with an increase in applied force. Nine experimental runs were performed using Taguchi L9 orthogonal array. The optimum control factors were predicted according to the MINITAB16 software. Analysis of variance has been applied to predict the highly significant operating parameter. The analysis of variance analysis revealed that the applied load is the most important control factor out of all the other control factors, followed by filler content and sliding velocity, of dry sliding wear behavior of high density polyethylene/silicon carbide composites.
Current Practices and Evidence of Aspirin Usage in Microvascular Surgery: A Systematic Review and Meta‐Analysis
Authors: Azam Faraaz , Awaida Cyril , Dogaroiu Anca , Odobescu Andrei
Published: January 2025

Background

Acetylsalicylic acid (ASA) has been used in reconstructive microsurgery since the inception of the field. However, when compared to placebo groups, its efficacy is not confirmed. In our study, we hypothesize that the utility of ASA postoperatively in microvascular surgery is not associated with improved outcomes.

Methods

A systematic review of the literature was conducted using PubMed, Google Scholar, and SCOPUS according to PRISMA guidelines. Documentation of antiplatelet regimens and postoperative complications were the primary endpoints.

Results

Four articles met inclusion criteria including a total of 1196 patients. There were 637 patients who received aspirin and 559 patients who did not. The average age was not found to be significantly different between the two groups (p > 0.05). In terms of flap type, patients undergoing DIEP had a significantly higher likelihood of receiving aspirin, whereas patients undergoing fibula flaps had a lower rate of aspirin usage (p < 0.05). TRAM, anterolateral thigh flaps, SIEA, and radial forearm flaps were equally distributed between the two groups (p > 0.05). A total of 317 complications were noted across both groups. Total complication rate, complete flap loss, and venous/arterial thrombosis rate were not found to be significantly different between the two groups (p > 0.05). Hematoma rate was found to be significantly higher in the group receiving aspirin when compared to the control (RR = 1.70, 95% CI 1.19–2.44).

Conclusion

Aspirin usage did not confer significant advantage in preventing postoperative complication rates and increased rates of hematoma formation.
MR imaging of proton beam‐induced oxygen depletion
Authors: Schieferecke Juliane , Hoffmann Aswin , Pawelke Jörg
Published: January 2025

Background

Previous studies have shown that in‐beam magnetic resonance imaging (MRI) can be used to visualize a proton beam during the irradiation of liquid‐filled phantoms. The beam energy‐ and current‐dependent local image contrast observed in water was identified to be predominantly caused by beam‐induced buoyant convection and associated flow effects. Besides this flow dependency, the MR signal change was found to be characterized by a change in the relaxation time of water, hinting at a radiochemical contribution, which was hypothesized to lie in oxygen depletion‐evoked relaxation time lengthening. The elucidation of the underlying contrast mechanism is required to enable the further assessment of the application potential of MRI‐based proton beam visualization in tissue.

Purpose

The underlying radiochemical cause of the observed local beam‐induced change in the relaxation time of water should be identified in beam visualization experiments testing the hypothesis of beam‐induced oxygen depletion‐evoked relaxation time lengthening.

Methods

Combined irradiation and imaging experiments were performed using static proton pencil beam irradiation, background‐nulled inversion recovery (IR) MRI and a range of flow‐restricted phantoms differing in initial oxygen concentration and homogeneity. The similarity of the irradiation‐induced MRI contrast to the proton pencil beam dose distribution acquired on radiochromic film, the expected dose dependence and temporal stability, the TR dependence as well as the dependence on the initial oxygen concentration and the oxygen consumption rate were tested. Moreover, the feasibility of oxygen depletion‐based beam visualization in tissue‐mimicking phantoms was assessed. The levels of irradiation‐induced oxygen depletion and relaxation time lengthening were estimated based on the measured temperatures and initial oxygen concentrations of the phantoms, the experimentally determined inversion times required for phantom background signal nulling and dosimetric measurements.

Results

The proton irradiation‐induced contrast in background‐nulled IR images of well oxygenated phantoms was found similar to the proton pencil beam dose distribution and showed the characteristics expected for oxygen depletion‐induced MRI contrast. No beam‐induced contrast was observed in the poorly oxygenated, inhomogeneous tissue‐mimicking phantoms.

Conclusions

Proton beam‐induced radiochemical oxygen depletion can be visualized using relaxation time contrast‐based IR MRI and represents the first identified flow‐independent contrast mechanism in MRI‐based proton beam visualization in real‐time. Beam detection in tissue, however, will be complicated by the increased relaxation time inhomogeneity and the lowered levels of initial oxygen concentration compared to in liquids at atmospheric equilibrium and requires further assessment.
Optimization of x‐ray dark‐field CT for human‐scale lung imaging
Authors: Guo Peiyuan , Spindler Simon , Rawlik Michal , Lu Jincheng , Men Longchao , Hong Mingzhi , Stampanoni Marco , Yin Hongxia , Xu Yan , Wang Zhenchang , Zhang Li , Wang Zhentian
Published: January 2025

Background

X‐ray grating‐based dark‐field imaging can sense the small angle scattering caused by object's micro‐structures. This technique is sensitive to the porous microstructure of lung alveoli and has the potential to detect lung diseases at an early stage. Up to now, a human‐scale dark‐field CT (DF‐CT) prototype has been built for lung imaging.

Purpose

This study aimed to develop a thorough optimization method for human‐scale dark‐field lung CT and guide the system design.

Methods

We introduced a task‐based metric formulated as the contrast‐to‐noise ratio (CNR) between normal and lesioned alveoli for system parameter optimization and designed a digital human‐thorax phantom to fit the task of lung disease detection. Furthermore, a computational framework was developed to model the signal propagation in DF‐CT and established the link between system parameters and the CNR metric.

Results

We showed that for a DF‐CT system, its CNR first increases and then decreases with the system auto‐correlation length (ACL). The optimal ACL is mostly independent of system's visibility, and is only related to the phantom's properties, that is, its size and absorption. For our phantom, the optimal ACL is about 0.35 µm at the design energy of 60 keV. As for system geometry, increasing source‐detector and isocenter‐detector distance can extend the system's maximal ACL, making it easier for the system to meet the optimal ACL and relaxing the grating pitches. We proposed a set of parameters for a projective fringe system that can satisfy the simulated optimal ACL.

Conclusion

This study introduced a task‐based metric and a process for DF‐CT optimization. We demonstrated that for a given phantom, the detection performance of the system is optimized at a specific ACL. The optimization method and design principles are independent from the underlying dark‐field imaging method and can be applied to DF‐CT system design using different grating‐based implementations such as Talbot‐Lau interferometer (TLI) or projective fringe method.
Solving Large‐Scale Weapon Target Assignment Problems in Seconds Using Branch‐Price‐And‐Cut
Authors: Bertsimas Dimitris , Paskov Alex
Published: January 2025

This paper proposes a framework based on branch‐price‐and‐cut to solve the weapon target assignment (WTA) problem, a popular class of non‐linear assignment problems that has received significant attention over the past several decades. We first reformulate the WTA into a form amenable to column generation and then derive efficient algorithms for initializing the column generation, solving the pricing problem, generating clique cuts, and managing the branch‐and‐bound. Through significant experimentation, we display the framework's efficiency – which scales to solve problems with 10000 targets and weapons on a laptop and exactly solves problems in seconds, which previously took hours to solve. We also discuss extensions to common WTA variants and more general non‐linear assignment problems in hopes of motivating algorithmic developments.
A Machine‐Learning Approach to Understanding Performance of Canadian Nonprofit Sport Organizations
Authors: Yang Yanxiang , Byers Terri , Koenigstorfer Joerg
Published: January 2025

Previous approaches to model the performance of nonprofit organizations and their determinants largely rely on linearity and monotonicity assumptions. This research note makes a methodological contribution by jointly using descriptive and predictive models, particularly advanced machine‐learning algorithms that allow for the consideration of non‐linear or non‐monotonic relationships, to understand the relevance of factors associated with the performance of nonprofit sport clubs as well as the nature of relationships. Data were collected via an online survey with 126 representatives of Canadian sport clubs, in which four performance domains were considered: Member relationship, service quality, financial stability, and sporting success. Explanatory linear regressions and four machine‐learning models (i.e., ridge regression, bagged regression, random forest, and gradient boosting machine) are used. The results reveal that machine‐learning models increase the explanatory power compared to linear models. The random forest outperforms the other models in terms of root mean squared error and, partly, mean absolute error, and R square (even though absolute levels of R square are low at times, particularly for financial stability and sporting success, where the presence or absence of a high‐volume donor or high‐performance sports mission might help or hinder performance). Non‐linear relationships are found for several predictors across the four dimensions that were considered, such as the use of outside knowledge, trust, coopetition, age, and tenure of the club representative. We showcase the use of joint computational techniques in nonprofit research to serve two relevant goals: enhance the explanatory power and maintain the interpretability of predictive models.
Metformin and Cognitive Performance in Patients With Type 2 Diabetes: An Umbrella Review
Authors: Enderami Athena , Shariati Behnam , Zarghami Mehran , Aliasgharian Aily , Ghazaiean Mobin , Darvishi‐Khezri Hadi
Published: January 2025

Contradictory results for the association between metformin intake and changes in cognitive function have been reported. We attempted to overview systematic reviews and meta‐analyses showing the role of metformin, as mono or combination therapy, in cognitive performance alterations among patients with type 2 diabetes mellitus (T2DM) and to determine the quality of the evidence as well. To find the English‐written reviews, a literature search was conducted on PubMed, Web of Science, Scopus, Cochrane Library, Trip, and Google Scholar by May 1, 2023. The literature search unearthed 2672 records, 10 of which were included in the study. Metformin may provide cognitive benefits for patients with type 2 diabetes, as evidence suggests potential improvements in memory and a reduced risk of neurodegenerative diseases. Even though the Alzheimer's Disease Assessment Scale‐Cognitive Subscale (ADAS‐Cog) score alterations correspond to raising concerns about cognitive decline, Mini‐Mental State Examination (MMSE) and selective reminding test (SRT) score improvements support metformin's role in improving specific cognitive domains. As such, metformin may exert differential impacts on various aspects of cognitive performance in these patients. However, the inconsistency and low quality of current evidence point toward the need for accurate research to elucidate whether metformin's cognitive effects are protective, neutral, or context‐dependent based on patient profiles.
A Systematic Review of Synthetic and Anticancer and Antimicrobial Activity of Quinazoline/Quinazolin‐4‐one Analogues
Authors: Manhas Neha , Kumar Gobind , Dhawan Sanjeev , Makhanya Talent , Singh Parvesh
Published: January 2025

Quinazolines/quinazolin‐4‐ones are significant nitrogen‐containing heterocycles that exist in various natural products and synthetic scaffolds with diverse medicinal and pharmacological applications. Researchers across the globe have explored numerous synthetic strategies to develop safer and more potent quinazoline/quinazolinone analogues, particularly for combating cancer and microbial infections. This review systematically examines scholarly efforts toward understanding this scaffold's synthetic pathways and medicinal relevance, emphasizing the role of metal and non‐metal catalysts and other reagents in their synthesis. Additionally, the article discusses selected compounds’ anticancer and antimicrobial properties, with a brief look into their structure‐activity relationships.
Molybdenum sulphide incorporated flexible poly(vinylidene fluoride) nanocomposites for energy harvesting and water remediation by dye degradation via piezocatalysis
Authors: Aishwarya Ananya , Mondal Suvankar , Bhattacharjee Neelanjan , Dasgupta Titas , Bhattacharyya Arup R.
Published: January 2025

Molybdenum sulphide (MoS2) was incorporated into poly(vinylidene difluoride) (PVDF) matrix via melt‐mixing followed by solution casting, to prepare PVDF/MoS2 nanocomposite films with varying MoS2 concentration. Piezoelectric properties of PVDF/MoS2 nanocomposites were significantly boosted by incorporation of MoS2 in PVDF by aiding in the formation of polar phase in the PVDF/MoS2 nanocomposites. Formation of electroactive phases in PVDF/MoS2 nanocomposites was analyzed through Fourier transform infrared and Raman spectroscopic analyses, which also highlighted the interactions between MoS2 and PVDF dipoles. A remarkable polar phase content of ~97% was achieved in the PVDF/3 MoS2 nanocomposite (containing 3 wt% MoS2). Dielectric and ferroelectric investigations further supported the enhancement of interfacial polarization in PVDF/MoS2 nanocomposite films. Piezoelectric response of the fabricated devices was subsequently assessed, demonstrating an output voltage of ~96 V generated through human‐hand actuation on the PVDF/3 MoS2 nanocomposite film. Additionally, the fabricated device exhibited a substantial volumetric power density of ~150 μW/cm2 and a current density of ~7.2 μA/cm2. Notably, the optimized PVDF/MoS2 nanocomposite film exhibited significant degradation efficiencies of ~69.7% and ~67.4% in case of Methylene Blue and Rhodamine B dye, respectively. The successful fabrication of a piezocatalytic PVDF/MoS2 nanocomposite film provided valuable insights into the piezoelectric response for the degradation of various dyes.

Highlights

Self‐polarized PVDF/MoS2 nanocomposite with high polar phase content (∼97%) has been achieved via melt‐mixing followed by solution casting.

High d33 value of ~72 pm/V was achieved in the PVDF/3 MoS2 nanocomposite.

PVDF/3 MoS2 nanocomposite based piezoelectric nanogenerator can generate an output voltage of ~96 V under 3 N with sensitivity of ~26 V/N.

Power density of ~150 μW/cm2 and current density of ~7.2 μA/cm2 were obtained.

PVDF/3 MoS2 nanocomposite film acted as an effective piezocatalysts for the degradation of organic dye with >69% efficiency.
Chitosan aerogel containing mechanically fibrillated fibroin and its model test for wound dressing
Authors: Tran Ngoc Phan , Okahisa Yoko , Okubayashi Satoko
Published: January 2025

The biopolymer aerogels of silk fibroin and chitosan composites exhibited brilliant properties such as biocompatibility, antibacterial, nontoxicity, and renewability. Silk fibroin nanofibrils (150–300 nm) can be effectively produced via a wet mechanical method. The introduction of fibroin nanofibrils into chitosan aerogels improved their bioactivity in a stimulus environment, mechanical properties, and promoted wound healing. The results of chitosan aerogels with additional fibroin aerogels revealed a high mechanical modulus (>2.5 MPa, at 80% load), high swelling ratio (>400%), and ideal exudate uptake (>100%). The obtained bio‐aerogels could be prospective for medical applications such as biomaterials and wound dressing.

Highlights

Green processes to produce 3D chitosan aerogels containing silk fibroin nanofibrils.

Valuable properties of CS aerogels with a small weight range of mechanically fibrillated fibroin.

CS/FNF aerogels exhibited greater absorption and swelling properties than CS aerogel alone.
Sustainable development of hybrid aerogels from surplus gelatin and chitosan for enhancing the dissolution rate of clotrimazole
Authors: Charoenchaitrakool Manop , Youngkum Patcharaporn , Sudsakorn Kandis , Niamnuy Chalida , Prapainainar Paweena , Kaewmanee Saroch
Published: January 2025

Hybrid aerogels were developed using surplus gelatin from the pharmaceutical industry and chitosan to address gelatin waste and enhance drug solubility. Glutaraldehyde (GA) was used as a cross‐linking agent to establish a porous network within hydrogels, which were solvent‐exchanged with ethanol and freeze‐dried to form aerogels. These aerogels served as carriers for clotrimazole, a poorly water‐soluble antifungal drug. The impact of the volume ratio of GA to the chitosan–gelatin mixture (ranging from 10% to 40% GA) and chitosan‐to‐gelatin ratios (1:1–1:4) on clotrimazole content and dissolution rate was investigated. Aerogels cross‐linked with 20% GA achieved a drug release rate threefold higher than unprocessed clotrimazole at 180 min, with all aerogels outperforming xerogels and raw clotrimazole. XRD and DSC analyses revealed reduced clotrimazole crystallinity, indicating its transition to an amorphous form. Antifungal tests against Trichophyton mentagrophytes ATCC 9533 showed inhibition zones of 83.5 ± 2.1 mm and 82.5 ± 3.5 mm for aerogels with chitosan‐to‐gelatin ratios of 1:1 and 1:4, respectively, comparable to unprocessed clotrimazole (92.5 ± 3.5 mm). This study demonstrates the potential of gelatin waste and chitosan‐based aerogels as sustainable carriers for poorly water‐soluble drugs, advancing pharmaceutical applications and environmental sustainability.

Highlights

A hybrid aerogel composed of chitosan and surplus gelatin was fabricated.

GA amount and chitosan‐to‐gelatin ratio impacted drug content and dissolution.

Clotrimazole‐loaded aerogels dissolved faster than the pure drug and xerogels.

The 1:1 and 1:4 chitosan–gelatin aerogels had similar antifungal efficacy.
An In‐Depth Examination of Learning Behaviors in Autistic Middle‐Schoolers Without Intellectual Disability
Authors: Duncan Amie , Evans Abigail , Vaughn Aaron , Tamm Leanne
Published: January 2025

Autistic students demonstrate poor academic performance which may be related to challenges in learning behaviors such as organization, planning, study skills, and so forth. Most studies report on summary scores; however, there may be value in understanding specific strengths and challenges to better inform assessment and intervention efforts. The aim was to assess the profile of learning behaviors in autistic students and the impact of an intervention targeting learning behaviors. Participants included 47 autistic middle‐schoolers without intellectual disability. Caregivers and students completed the Learning Behaviors Checklist assessing academic executive functions at pre and post. Item level summary statistics and effect sizes for pre to post were computed. Both caregivers and students reported infrequent use of critical learning behaviors prior to intervention. Following intervention both raters reported improvement, especially for organization strategies and some study strategies; however, there remained room for improvement. Autistic middle‐schoolers demonstrate specific challenges in learning behaviors that may contribute to poorer academic performance and grades. Intervention may improve these behaviors and provide skills that may benefit them in the future (e.g., high school). However, even after intervention, caregivers and students reported infrequent use of important learning behaviors. Booster sessions and intervention refinement may be warranted.
Registration of two extra‐soft soft red winter wheat germplasms carrying the puroindoline genes on chromosome 5A
Authors: Ma Fengyun , Souza Edward , Sturbaum Anne , Baik Byung‐Kee
Published: January 2025

Kernel hardness is a primary determinant of the milling and end use quality of wheat (Triticum aestivum L.) and is largely genetically controlled by the Pin genes on chromosome 5D in common wheat. Wheat carrying the wild‐type alleles of the Pin genes exhibits softer kernel texture, higher break flour yield, finer flour particle, and lower damaged starch content than wheat carrying one or two mutant alleles of the Pin genes. The USDA‐ARS developed and released two extra‐soft soft red winter (SRW) wheat germplasms, SWQL11‐146‐4 (Reg. no. GP‐1100, PI 706439) and SWQL11‐156‐5 (Reg. no. GP‐1101, PI 706440), by introgression of the Pin genes on chromosome 5A (Pin 5A genes) from a ‘Chinese Spring’ translocation line to SRW wheat cultivars. SWQL11‐146‐4 and SWQL11‐156‐5 were derived from the crosses of OH04‐264‐58*2//T5AmS‐5AS∙5AL R#45/OH04‐264‐58/3/GA 991371‐6E13 and Milton/T5AmS‐5AS∙5AL R#45//3*USG 3555, respectively, and were grown in four different environments and analyzed for grain and milling characteristics and agronomic performance. Kernel hardness values averaged across environments were 0.7–1.4 in extra‐soft wheat germplasms, 15.3–17.4 in their sibling lines without the Pin 5A genes (wild types), and 18.7‐21.3 in recurrent parents. The break flour yields of SWQL11‐146‐4 and SWQL11‐156‐5 were significantly higher than those of the corresponding wild types and parents. SWQL11‐146‐4 had a higher test weight and flour yield than its wild types and parent. The introgression of the Pin 5A genes induced insignificant changes in kernel diameter and weight, grain protein content, and agronomic performance (heading date, plant height, and grain yield). These two extra‐soft wheat germplasms would be valuable genetic resources for improving the milling and end use quality of soft wheat.
Rigidity Analysis of Hydride Tunneling‐Ready States From Secondary Kinetic Isotope Effects and Hammett Correlations: Relating to the Temperature Dependence of Kinetic Isotope Effects
Authors: Bai Mingxuan , Singh Grishma , Lu Yun
Published: January 2025

Recent study on the effects of enzyme mutations on the primary kinetic isotope effects (1° KIEs) of H‐tunneling reactions revealed that a more rigid system results in a weaker temperature dependence of KIEs, indicated by a smaller isotopic activation energy difference (∆Ea = EaD − EaH). In literature, a more rigid system has been defined by the presence of shorter, more densely populated hydrogen donor‐acceptor distances (DADs) in both the productive reactant complexes (PRCs) and the tunneling‐ready states (TRSs). Studying the relationship between DADPRC/DADTRS and ∆Ea can help validate existing H‐tunneling models or guide the development of new theories. In a previous publication, we employed Hammett correlations on hydride acceptors (NAD+ analogues) to propose TRS electronic structures for qualitative analysis of DADTRS order. In this paper, we selected a pair of such systems and used secondary (2°) KIEs on the hydride donor (NADH analogue) to obtain quantitative DADTRS information at the molecular level. TRS structures were computed, and the corresponding 2° KIEs were calculated and fitted to the observed values to extract DADTRS data. PRC structures were also computed. The DADPRC/DADTRS information aligns with the rigidity order derived from Hammett correlation analysis, and the correlation between DADPRC/DADTRS and ∆Ea is consistent with observations in enzyme systems.
Investigation into the effect of phenylalanine gating on anaerobic haem breakdown using the energy landscape approach
Authors: Keith Alasdair D. , Sawyer Elizabeth B. , Choy Desmond C. Y. , Cole James L. , Shang Cheng , Biggs George S. , Klein Oskar James , Brear Paul D. , Wales David J. , Barker Paul D.
Published: January 2025

We have recently demonstrated a novel anaerobic NADH‐dependent haem breakdown reaction, which is carried out by a range of haemoproteins. The Yersinia enterocolitica protein, HemS, is the focus of further research presented in the current paper. Using conventional experimental methods, bioinformatics, and energy landscape theory (ELT), we provide new insight into the mechanism of the novel breakdown process. Of particular interest is the behavior of a double phenylalanine gate, which opens and closes according to the relative situations of haem and NADH within the protein pocket. This behavior suggests that the double phe‐gate fulfills a regulatory role within the pocket, controlling the access of NADH to haem. Additionally, stopped‐flow spectroscopy results provide kinetic comparisons between the wild‐type and the selected mutants. We also present a fully resolved crystal structure for the F104AF199A HemS monomer, including its extensive loop, the first such structure to be completely resolved for HemS or any of its close homologues. The energy landscapes approach provided key information regarding the gating strategy employed by HemS, compensating for current limitations with conventional biophysical and molecular dynamics approaches. We propose that ELT become more widely used in the field, particularly in the investigation of the dynamics and interactions of weak‐binding ligands, and for gating features, within protein cavities.
Model‐Informed Recommendation of Mavacamten Posology for Chinese Adults With Obstructive Hypertrophic Cardiomyopathy
Authors: Wu Xiaojie , Puli Shilpa , Chen Nanye , Tian Zhuang , Hsu Peiwen , Sun Jing , Lyu Cheng , Merali Samira , Zhang Jing
Published: January 2025

Mavacamten is a cardiac myosin inhibitor for adults with obstructive hypertrophic cardiomyopathy (HCM). Dose optimization is performed 4 weeks after starting mavacamten, guided by periodic echo measurements of Valsalva left ventricular outflow tract gradient (VLVOTg) and left ventricular ejection fraction (LVEF). Previously, a population pharmacokinetic (PPK) model was developed and exposure‐response (E‐R) of VLVOTg (efficacy) and LVEF (safety) was used to identify the mavacamten titration regimen with the optimal benefit/risk ratio, now included in the US prescribing information. Mavacamten is metabolized primarily by cytochrome P450 2C19 (CYP2C19) (74%), a highly polymorphic enzyme. China has a higher prevalence of poor CYP2C19 metabolizer phenotype compared with the global population; therefore, a previous model was adapted to include Chinese patients with obstructive HCM to identify the optimal dosing regimen for this population. Data from a phase I (healthy Chinese volunteers) and a phase III (EXPLORER‐CN, NCT05174416; Chinese patients with obstructive HCM) trial of mavacamten were added to the previous PPK and E‐R models, and the observed VLVOTg and LVEF from EXPLORER‐CN were successfully simulated. Next, five echocardiography‐guided titration regimens (plus the EXPLORER‐CN regimen) using representative or equal CYP2C19 phenotypes were simulated. The final simulated regimen recommended with an optimal benefit/risk profile across CYP2C19 phenotypes included: down‐titration at Week 4 (if VLVOTg < 20 mmHg), restart at Week 12, and up‐titration at Week 12 (for VLVOTg ≥ 30 mmHg and LVEF ≥ 55%), and every 12 weeks thereafter. This supports the previously recommended regimen for Chinese patients with obstructive HCM, now approved by the National Medicinal Products Administration.
Fentanyl and Fentanyl Analog Screening Using ASAP‐MS With LiveID Confirmation
Authors: Reyes Monroy Karen A. , Koerber Rachel , Verbeck Guido F.
Published: January 2025

Rationale

Fentanyl and fentanyl analogs continue to pose a serious threat to the public health. The vast number of fentanyl analogs emerging on the black‐market call for optimized analytical methods for the detection, analysis, and characterization of these extremely dangerous drugs.

Methods

Atmospheric pressure solids analysis probe (ASAP) mass spectrometry was used for the rapid analysis of 250 synthetic opioid standards, including 211 fentanyl analogs, 32 non‐fentanyl related opioids, and 8 fentanyl precursors. Four cone voltages (5, 15, 35 and 50 V) were used to obtain fingerprint data for each opioid reference sample.

Results

The generated and processed mass spectra of the 250 synthetic opioids analyzed was utilized to create an ASAP+ database that contains the largest compendium of mass spectra for fentanyl analogs. The built library was integrated into LiveID software, enabling real‐time analyte identification. The efficacy of the software's ability to identify fentanyl analogs in a sample utilizing the spectral library was tested by analyzing five blind and four reaction mixtures. The correct identity of these nine samples was all within the top three ranked matches.

Conclusion

We demonstrate how the RADIAN ASAP, alongside a real‐time sample recognition software, can be utilized as a presumptive tool for the screening of fentanyl analogs within samples in question, making it a promising alternative to some of the most commonly used analytical screening techniques.
Novel Logarithmic Sliding Mode Control of Chaos in Seventh‐Order Power Systems
Authors: Cao Qian , Wei Du Qu
Published: January 2025

In seventh‐order power systems, chaotic oscillations can significantly compromise system stability, arising from intricate interactions among system parameters and initial conditions. This study introduces a robust chaos control strategy tailored for such high‐dimensional systems. The approach begins by integrating a dynamic model of an energy storage device, specifically designed to absorb surplus active power, thereby constructing a controlled ninth‐order power system with coupled dynamics. To further enhance stability and rapid response, we propose a novel logarithmic sliding mode control (LSMC) surface. This innovation incorporates natural logarithms to achieve a high‐gain effect at the equilibrium points of the reduced‐order sliding mode system, facilitating rapid re‐stabilization of the power system. Additionally, we employ the super‐twisting algorithm to address the inherent chattering issues associated with traditional sliding mode control. Theoretical analyses and simulation experiments validate the effectiveness of our proposed method, demonstrating its capability to swiftly restore system stability.
Improving Localization Accuracy of Offline Navigation Algorithms for Intelligent Pipeline Inspection Gauges and In‐Line Inspection Robotic Systems
Authors: Yoo Kwanghyun , Kim Dae‐Kwang , Kim Jae‐Jun , Yang Seung‐Ung , Yoo Hui‐Ryoung , Song HongSeok , Jeong Han‐You , Nguyen Hoa‐Hung , Song Jin Woo , Kim Dong‐Kyu
Published: January 2025

Integrity management of pipeline networks is crucial for preemptive maintenance and preventing accidents. In this study, various methods for improving the localization accuracy of the offline navigation algorithm for an intelligent pipeline inspection gauge (PIG) and in‐line inspection (ILI) robotic system are proposed. The digital mapping algorithm utilizes the extended Kalman filter (EKF) with a Rauch–Tung–Striebel (RTS) smoother. Two ILI tools are introduced—magnetic flux leakage (MFL) PIG, which is a typical intelligent PIG for detecting corrosion defects in pipelines, and a new low‐friction geometry robot (LFGR) for inspecting the mechanical defects in low‐pressure, low‐flow pipelines. The MFL PIG has only three odometers to measure the speed of the PIG along the moving direction. Hence, a compensation method for the measured speed was developed and utilized. In addition, an optimization procedure for the parameters of sensor uncertainty modeling was proposed and validated. These methods increased the localization accuracy of the digital mapping algorithm of the MFL PIG. Specifically, the root mean squared value of the two‐dimensional distance error decreased by 47.73%. The proposed methods were applied to the LFGR equipped with four odometers and a high‐accuracy inertial measurement unit. Moreover, additional sensors and a new algorithm for attitude angle correction of the robot were utilized. The proposed methods were successfully validated using field ILI results. The methods enhance the effectiveness of the integrity management of pipeline systems, thus contributing toward their safe and reliable operation.
Innovation Strategies for Ecological Sustainability: Effects of Natural Resources and Energy Consumption
Authors: Abbass Kashif , Voinea Cosmina L. , Roijakkers Nadine , Usman Muhammad , Song Huaming
Published: January 2025

To attain global ecological sustainability within the framework of ecological modernization, this study scrutinizes the multifaceted interaction among environmental‐related patent technologies (ERPT), natural resources, energy consumption (both renewable and nonrenewable energy usage) and globalization on the ecological footprint. To assess the novel aspects of the ongoing objective, this study employs Disc/Kraay, fully modified ordinary least square (FMOLS), and dynamic ordinary least square (DOLS) regression to generate comparative results across a panel of technologically advanced countries and resource‐rich least‐developed countries from 1990 to 2022. The empirical outcomes indicate that economies leading in eco‐friendly technologies and renewable sources of energy enhance environmental sustainability by minimizing their ecological footprint over time. In contrast, countries that rely heavily on natural resource extraction to meet energy demands tend to exacerbate ecological degradation. The process of globalization demonstrates the same trend for both developed and developing countries over the long term significantly elevating the level of ecological footprint. The Dumitrescu and Hurlin causality test discloses a reverse causal connection among concerning variables such as natural resources, ERPT, and energy reliance excluding globalization over the extended duration. The recommendations derived from the results suggest that governments in developing countries should strategically promote the adoption and dissemination of innovative, eco‐friendly resource extraction technologies. Meanwhile, governments in developed countries should focus on overhauling their ecological policies to play a crucial role in supporting and advancing ecological sustainability efforts in developing nations.
Eco‐Friendly Approach on One‐Step Chloride Decoration over R‐Graphene for Supercapacitor Application
Authors: Jemina I. , Mani N. , Ramesh Pugalenthi , Pitchaimani Jayaraman
Published: January 2025

Chlorinated rGO is a promising 2D material with unique properties. A new synthesis method combines chlorine intercalation and graphite sheet surface reduction into a single step. Various tests confirmed the chloride content improves storage capacity. The high chloride content of the material improved the electrolyte's d‐spacing and ion mobility, leading to increased storage capacity. Additionally, the potential of chlorinated RGO as an electrode material was examined using a 1 M H2SO4 solution as the electrolyte, and various tests including CV, EIS, and GCD were conducted. At a current density of 1 A/g, the chlorinated graphene material exhibited a specific capacitance of 373.4 F/g at a high rate, along with EDL capacitance. It also demonstrated excellent stability over 5000 cycles. These halogenated graphene compounds are highly promising for supercapacitor applications.
Insights into the Oxidative Esterification of 5‐Hydroxymethylfurfural Toward Furan‐2,5‐dimethylcarboxylate over MnO@Co‐CN Catalyst
Authors: Jiang Wei , Zhao Chenkang , Liu Yanfeng , Zu Yu , Guo Hongyu , Zhao Guanghui , Wang Weizhong , Sun Yong
Published: January 2025

As a versatile platform molecule derived from biomass, 5‐hydroxymethylfurfural (HMF) has the potential to be transformed into a variety of chemicals. Of these, furan‐2,5‐dimethylcarboxylate (FDMC) stands out as an excellent precursor for the synthesis of poly(ethylene furandicarboxylate) (PEF), a polymer with broad applications in the production of various polymeric materials. However, a majority of studies have focused on the use of noble metal catalysts to achieve the direct oxidative esterification of HMF for the production of FDMC. Given the scarcity and high cost of noble metal catalysts, there is a pressing need to develop non‐noble metal catalysts to efficiently facilitate the direct oxidative esterification of HMF. Accordingly, a bimetallic catalyst, MnO@Co‐CN, was prepared in this paper by a simple coprecipitation method, and a 90.3% FDMC yield was obtained under optimal conditions. The findings revealed that in the oxidative esterification of HMF, MnOx predominantly adsorbs the reactants onto the catalyst surface, whereas CoOx is primarily responsible for the oxidation. The synergistic interaction between Mn and Co enhances the catalytic performance, leading to the superior oxidative esterification outcomes. This work offers a cost‐effective, scalable method for FDMC synthesis, highlighting potential for industrial applications.