bluuebunny/crossref_metadata_2025 huggingface dataset:
When to Start Population-Wide Screening for Chronic Kidney Disease
Authors: Cusick Marika M. , Tisdale Rebecca L. , Chertow Glenn M. , Owens Douglas K. , Goldhaber-Fiebert Jeremy D. , Salomon Joshua A.
Published: November 2024

Importance

Sodium-glucose cotransporter-2 (SGLT2) inhibitors have changed clinical management of chronic kidney disease (CKD) and made population-wide screening for CKD a viable strategy. Optimal age of screening initiation has yet to be evaluated.

Objective

To compare the clinical benefits, costs, and cost-effectiveness of population-wide CKD screening at different initiation ages and screening frequencies.

Design, Setting, and Participants

This cost-effectiveness study used a previously published decision-analytic Markov cohort model that simulated progression of CKD among US adults from age 35 years and older and was calibrated to population-level data from the National Health and Nutrition Examination Survey (NHANES). Effectiveness of SGLT2 inhibitors was derived from the Dapagliflozin and Prevention of Adverse Outcomes in Chronic Kidney Disease (DAPA-CKD) trial. Mortality, quality-of-life weights, and cost estimates were obtained from published cohort studies, randomized clinical trials, and US Centers for Medicare & Medicaid Services data. Analyses were performed from June 2023 through September 2024.

Exposures

One-time or periodic (every 10 or 5 years) screening for albuminuria, initiated at ages between 35 and 75 years, with and without addition of SGLT2 inhibitors to conventional CKD therapy (angiotensin-converting enzyme inhibitors/angiotensin receptor blockers).

Main Outcomes and Measures

Cumulative incidence of kidney failure requiring kidney replacement therapy (KRT); life years, quality-adjusted life years (QALYs), lifetime health care costs (2024 US currency), and incremental cost-effectiveness ratios discounted at 3% annually.

Results

For those aged 35 years, starting screening at age 55 years, and continuing every 5 years through age 75 years, combined with SGLT2 inhibitors, decreased the cumulative incidence of kidney failure requiring KRT from 2.4% to 1.9%, increased life expectancy by 0.13 years, and cost $128 400 per QALY gained. Although initiation of screening every 5 years at age 35 or 45 years yielded greater gains in population-wide health benefits, these strategies cost more than $200 000 per additional QALY gained. The comparative values of starting screening at different ages were sensitive to the cost and effectiveness of SGLT2 inhibitors; if SGLT2 inhibitor prices drop due to patent expirations, screening at age 55 years continued to be cost-effective even if SGLT2 inhibitor effectiveness were 30% lower than in the base case.

Conclusions and Relevance

This study found that, based on conventional benchmarks for cost-effectiveness in medicine, initiating population-wide CKD screening with SGLT2 inhibitors at age 55 years would be cost-effective.
Perceived Mistreatment and Professional Identity of Medical Students in China
Authors: Ma Xuanxuan , Shen Ziyue , Xiao Ruilian , Wu Hongbin
Published: November 2024

Importance

Mistreatment is a common experience among medical students, with various negative consequences of such perceived mistreatment reported. However, few large-scale studies have investigated the association between perceived mistreatment and the formation of medical students’ professional identities.

Objective

To investigate medical students’ perceived mistreatment during medical school and its association with professional identity.

Design, Setting, and Participants

This repeated cross-sectional study included medical students graduating between 2019 and 2022 at 135 medical schools in China. Analyses were performed from July 25, 2023, to May 15, 2024.

Exposure

The China Medical Student Survey includes 5 items designed to measure students’ perceived experiences of mistreatment.

Main Outcomes and Measures

Professional identity was measured using a validated 7-item scale adapted from the Macleod Clark Professional Identity Scale. Multivariate linear regression was used to determine the association between perceived mistreatment and medical students’ professional identity.

Results

A total of 94 153 students (53 819 female [57.2%]; 83 548 Han ethnicity [88.7%]) were analyzed, representing 67.2% of the medical graduates enrolled in all responding medical schools. Most medical students reported having experienced at least 1 mistreatment incident (79 554 students [84.5%]). Medical students reported being required to perform personal service (57 455 students [61.0%]), experiencing mistreatment by patients (67 439 students [71.6%]), being publicly humiliated (24 348 students [25.9%]), being unjustly treated (35 926 students [38.2%]), and experiencing deliberate harassment (46 082 students [48.9%]). A negative association and saturation effect (where effect size plateaus after moderate exposure of mistreatment) were found between the degree of mistreatment and medical students’ professional identity scores. Compared with students who had not reported mistreatment, students who reported single (β, −0.30; 95% CI, −0.33 to −0.28; P < .001), moderate (β, −0.66; 95% CI, −0.69 to −0.63; P < .001), and high (β, −0.62; 95% CI, −0.65 to −0.58; P < .001) frequency of mistreatment were more likely to have lower professional identity scores; this association persisted but was attenuated after adjusting for students’ sociodemographic characteristics and was consistent across all the types of mistreatment.

Conclusions and Relevance

In this national, repeated cross-sectional study, a high prevalence of mistreatment among medical students in China and a negative association between perceived mistreatment and medical students’ professional identity was found. Further research is needed to ensure that medical schools offer supportive and respectful learning environments.
14‐3‐3ε conditional knockout mice exhibit defects in the development of the epidermis
Authors: Tilwani Sarika , Gandhi Karan , Dalal Sorab N.
Published: November 2024

The epidermis is a stratified epithelium that functions as the first line of defense against pathogenic invasion and acts as a barrier preventing water loss. In this study, we aimed to decipher the role of 14‐3‐3ε in the development of the epidermis. We report that loss of 14‐3‐3ε in the epidermis of juvenile and adult mice reduces cell division in the basal layer and increases the percentage of cells with multiple centrosomes, leading to a reduction in the thickness of the basal and stratified layers. We also demonstrate a decrease in the expression of differentiation markers, although no gross morphological defects in the skin or adverse effects on the survival of the mice were observed. These results suggest that loss of 14‐3‐3ε in the epidermis may lead to defects in proliferation and differentiation.
Domain‐General Individual Differences in Visual Comparison: Generalisability and Stability of Visual Comparison Ability Re‐Visited
Authors: Growns Bethany , Gough Mia , Helm Rebecca K.
Published: November 2024

Visual comparison is the ability to ‘match’ visual stimuli like fingerprints or faces and decide whether they are from the same source or different sources (e.g., fingerprint‐matching). Limited research has investigated individual differences in this ability. In this paper, we present the results of three studies that explore the generalisability and stability of five visual comparison tasks (fingerprints, faces, artificial‐prints, footwear and toolmarks). We report data from three new studies examining the generalisability and stability of footwear comparison (Exp. 1) and toolmark comparison (Exp. 2), as well as the generalisability of all five comparison tasks (Exp. 3). Our results reveal that visual comparison ability generalises across all five comparison tasks and has stable test–retest reliability over time.
Minimizing Polymer Curl Distortion and Heat Impact to Improve Digital Light Processing Printing Accuracy via Subdivision Method
Authors: Pruksawan Sirawit , Chong Yi Ting , Zhao Yang , Sivaraja Vinod Kumar , Ngo Andrew Chun Yong , Jin Peng , Wang FuKe
Published: November 2024

Curl distortion has been a persistent challenge for vat photopolymerization‐based printing technology such as digital light processing (DLP), leading to structural deformation and print failures. This study presents a new approach to mitigate curling distortion and heat effects during DLP printing by dividing the printing layer image into sequential subimages, using a breadth‐first search algorithm. The progressive curing process, resembling a ripple pattern, results in a significant improvement in printing accuracy. The deviation is reduced tenfold when the layer image is divided into subimages with 10 pixels for a 32 mm diameter disc. Additionally, subdivision strategy helps to reduce the heat effect during photopolymerization, as monitored in situ by a long‐wave infrared camera. The successful reduction of residual stress using the subdivision strategy results in a 75% improvement in the mechanical performance of the printed products. The simple adoption of subdivision strategy in practical 3D printing applications is also demonstrated. For solid 3D printing structures, introducing intervals within the solid printing layers—such as using a grid structure instead of a fully solid one, can help to reduce curling and heat effects, thereby improving 3D printing accuracy.
Enhanced Photosensitizer Wettability via Anchoring Competition of Violet Phosphorus Quantum Dots for Breakthroughs in Photodynamic Film Sterilization
Authors: Zhang Zuwang , Zhang Chi , Wang Na , Hu Yayun , Cui Lu , Wang Jianlong , Zhu Lingyan , Zhang Jinying , Wang Rong
Published: November 2024

Wettability is important for photodynamic film sterilization since higher wettability enhances the capture of bacteria in contact with photosensitizers. Herein, a small number of violet phosphorus quantum dots (VPQDs) are anchored into hypericin bacterial cellulose films (VP/Hy‐BC films) to improve wettability, reducing the water contact angle from 56.8° to 33.0°. This modification facilitated more effective interactions between the bacteria and photosensitizers, rapidly inactivating 7 log10 CFU/mL of Staphylococcus aureus within 60 min. First‐principles calculations and molecular dynamics simulations reveal that VPQDs, with their low spatial site resistance, reduced the intermolecular Hy self‐aggregation force. This increased the solvent‐accessible surface area of VP/Hy by ≈25.7%, thereby decreasing hydrophobic photosensitizer aggregation. Consequently, more active sites are exposed, remarkably improving the photoelectron transfer efficiency. VP/Hy‐BC demonstrated exceptional efficacy in inhibiting bacterial proliferation; for instance, it extended beef shelf life by up to 10 days. The findings of this study will aid the development of health‐conscious, eco‐friendly, and efficient antimicrobial packaging films.
Nanocarbon Materials: Synthesis of Newly Discovered Carbon Nanoframes and Hollow Carbon Nanocubes
Authors: Lin Zezhong , Du Bingxuan , Zhang Conglin , Ji Qingsong , Yang Xiaobo , Li Haichao
Published: November 2024

Nanocarbons are emerging at the forefront of nanoscience, and a wide variety of nanocarbons with unique structures have appeared over the past two decades. Currently, many carbon nanostructures have not been synthesized in the field of nanocarbons. The focus of this work is to present a new ideology and report two carbon nanostructures that have never been reported before. Inspired by the phenomenon of crystal growth, a new concept of thought is proposed. In brief, the diversity of crystal structures is utilized to enable surfactants to replicate their framework structures to create carbon nanomaterials with novel structures. In this work, carbon nanoframes (CNFEs) and hollow carbon nanocubes (HCNBs) synthesized by the 3‐(N,N‐dimethyldodecylammonio) propanesulfonate (SB3‐12)@NaCl self‐assembly strategy are used as proof of the ideology concept. It is shown that the prepared CNFEs have tunable dimensions (320–565 nm) and specific optical properties (fluorescence). The obtained HCNBs are 575 ± 20 nm in size and have fluorescent properties. It is found that changes in the concentration of SB3‐12 are a key driver of size changes, especially morphological evolution. It is believed that the ideology of this work provides a new entry point for the synthesis of carbon nanomaterials.
Two‐Step Design Rule for Simultaneously High Conductivity and Seebeck Coefficient in Conjugated Polymer‐Based Thermoelectrics
Authors: Li Zelong , Fu Wei , Scheunemann Dorothea , Wei Xiaoran , Litterst Maximilian , Viji Priya Mariam , Cui Yong , Hou Jianhui , Tang Junhui , Liang Ziqi , Qu Zehua , Kemerink Martijn , Guo Ruiqian , Zuo Guangzheng
Published: November 2024

The trade‐off between enhancing conductivity (σ) through doping while concurrently observing a reduction in the Seebeck coefficient (S) presents a key challenge in organic thermoelectrics. Here, a two‐step structural design strategy is developed, where the first step enhances the backbone planarity which enhances the conductivity by an improved ordering of conjugated polymers (CPs). The second step, which is fluorination of the backbone, improves the Seebeck coefficient by the controlled induction of energetic disorder, stemming from the fluorine's disruption of the homogeneous electrostatic potential across the CP backbone. This strategy is applied to two series of donor‐acceptor (D‐A) types of CPs based on the BDT donor unit and BDD and TT as acceptor units, respectively. A maximum power factor (PF) over 155 (142.7 ± 12.7) µW m−1 K−2, coupled with S ≈202 (194.6 ± 7.6) µV K−1 is achieved, leading to up to 32‐fold enhancement of the PF compared to the initial non‐planar and non‐fluorinated polymer. This study provides valuable conceptual insights for designing CPs with high conductivity and Seebeck coefficient.
Association of amyloid and cardiovascular risk with cognition: Findings from KBASE
Authors: Chaudhuri Soumilee , Dempsey Desarae A. , Huang Yen‐Ning , Park Tamina , Cao Sha , Chumin Evgeny J. , Craft Hannah , Crane Paul K. , Mukherjee Shubhabrata , Choi Seo‐Eun , Scollard Phoebe , Lee Michael , Nakano Connie , Mez Jesse , Trittschuh Emily H. , Klinedinst Brandon S. , Hohman Timothy J. , Lee Jun‐Young , Kang Koung Mi , Sohn Chul‐Ho , Kim Yu Kyeong , Yi Dahyun , Byun Min Soo , Risacher Shannon L. , Nho Kwangsik , Saykin Andrew J. , Lee Dong Young ,   for the KBASE Research Group
Published: November 2024

BACKGROUND

Limited research has explored the effect of cardiovascular risk and amyloid interplay on cognitive decline in East Asians.

METHODS

Vascular burden was quantified using Framingham's General Cardiovascular Risk Score (FRS) in 526 Korean Brain Aging Study (KBASE) participants. Cognitive differences in groups stratified by FRS and amyloid positivity were assessed at baseline and longitudinally.

RESULTS

Baseline analyses revealed that amyloid‐negative (Aβ–) cognitively normal (CN) individuals with high FRS had lower cognition compared to Aβ– CN individuals with low FRS (p < 0.0001). Longitudinally, amyloid pathology predominantly drove cognitive decline, while FRS alone had negligible effects on cognition in CN and mild cognitive impairment (MCI) groups.

CONCLUSION

Our findings indicate that managing vascular risk may be crucial in preserving cognition in Aβ– individuals early on and before the clinical manifestation of dementia. Within the CN and MCI groups, irrespective of FRS status, amyloid‐positive individuals had worse cognitive performance than Aβ– individuals.

Highlights

Vascular risk significantly affects cognition in amyloid‐negative older Koreans.

Amyloid‐negative CN older adults with high vascular risk had lower baseline cognition.

Amyloid pathology drives cognitive decline in CN and MCI, regardless of vascular risk.

The study underscores the impact of vascular health on the AD disease spectrum.
The Health Equity Scholars Program: Fostering Culturally Competent and Successful Independent Investigators in Alzheimer's Disease and Related Dementia Research
Authors: Amaza Hannatu , Niay Amber , Thao Mai Seng , Strong Joe , Arentoft Alyssa , Guzman Vanessa , O'Bryant Sid E. , Weiner Mike , Mindt Mónica Rivera , Okonkwo Ozioma C. ,   for the Alzheimer's Disease Neuroimaging Initiative,   the HABS‐HD Investigative Team
Published: November 2024

INTRODUCTION

The Health Equity Scholars Program (HESP) addresses the critical need for a diverse, culturally competent workforce to study and treat older adults from underrepresented populations (URPs) with Alzheimer's disease and related dementias (AD/ADRD). The HESP offers tailored mentored training in AD/ADRD research concepts, aiming to develop successful independent researchers. It recruits Scholars from underrepresented backgrounds as well as those passionate about AD/ADRD health equity research.

METHODS

We (1) describe the fundamental elements of the HESP, and (2) present preliminary data from the HESP program evaluation results performed by an outside agency, pre–post participation surveys, and Scholar accomplishments.

RESULTS

The HESP Scholars reported high rates of proficiency, satisfaction, and competency in nearly all evaluated areas, and have been successful in obtaining grants, promotions, and publications.

DISCUSSION

These initial outcomes data suggest that the HESP is meeting its objective of diversifying the workforce in the field of AD/ADRD research and care.

Highlights

The Health Equity Scholars Program aims to cultivate a diverse and culturally competent workforce, who are well‐prepared to study and treat underrepresented older adults with Alzheimer's disease and related dementias (AD/ADRD).

The program provides tailored mentored training in AD/ADRD research concepts, with the goal of nurturing successful independent researchers.

Rigorous evaluation processes for applications ensure the selection of highly qualified Scholars.

The program includes tailored training activities such as seminars and grant writing workshops, and tracks Scholar achievements while undergoing annual external evaluation to enhance its training program iteratively.
Einstellbare Graphen/MoS2 Grenzflächen durch vertikale Oberflächenfunktionalisierung
Authors: Cao Qing , Dai Jiajun , Hao Zhuting , Paulus Beate , Eigler Siegfried , Chen Xin
Published: November 2024

Oberflächenchemie und Grenzflächeninteraktionen beeinflussen die Eigenschaften von zweidimensionalen (2D) Materialien und Heterostrukturen. Daher ist die Entwicklung von Methoden zur Kontrolle von Oberflächen‐ und Grenzflächeneigenschaften entscheidend, um die Funktionen von 2D‐Materialien und Heterostrukturen zu ermöglichen. In dieser Arbeit haben wir einen einfachen Ansatz entwickelt, um den Abstand von Grenzflächen in Graphen/MoS2‐Heterostrukturen (G/MoS2) durch Variation funktioneller Gruppen an der Oberfläche der Graphen‐Unterschicht einzustellen. Wir haben systematisch untersucht, wie der Abstand zwischen 2D‐Schichten in G/MoS2‐Heterostrukturen die optischen Eigenschaften beeinflusst. Unsere Ergebnisse deuten darauf hin, dass sowohl die Größe als auch die elektronischen Eigenschaften der funktionellen Gruppen zur Regulierung der Ladungstransporteigenschaften beitragen, wobei besonders die Größe funktioneller Gruppen entscheidend ist. Unser Ansatz zeigt einen effizienten und flexiblen Weg zum Einstellen der Schichtabstände in Heterostrukturen, wodurch die Elektronentransfer‐Eigenschaften beeinflusst werden. Die Grenzflächenchemie kann somit zur Optimierung der Eigenschaften von van‐der‐Waals‐Heterostrukturen herangezogen werden.
High Spin‐State Modulation of Catalytic Centers by Weak Ligand Field for Promoting Sulfur Redox Reaction in Lithium‐Sulfur Batteries
Authors: Li Qing , Ma Zhipeng , Liu Ming , Jiang Yajie , Fu Minhao , Fan Yuqian , Qin Xiujuan , Song Ailing , Shao Guangjie , Xu Yuxi
Published: November 2024

The spin state of transition‐metal compounds in lithium‐sulfur batteries (LSBs) significantly impacts the electronic properties and the kinetics of sulfur redox reactions (SRR). However, accurately designing the spin state remains challenging, which is crucial for understanding the structure‐performance relationship and developing high‐performance electrocatalysts. Herein, the CoF2, specifically the Co2+ with 3d7 electrons in a high‐spin state distribution (t2g5eg2), were tailored predictably for the first time through the weak coordination field effect of the F element. Both DFT calculations and experimental results confirm that the spin state of Co2+ transitions from low‐ to high‐spin configurations and strongly interacts with sulfur species through Co−S and Li−F bonds during the SRR process. This interaction weakens the S−S bond, promoting its facile cleavage from both ends while also facilitating the rapid and uniform nucleation of Li2S2/Li2S, thus resulting in LSBs with a capacity of 447.7 mAh g−1 at 10 C rates and stable cycling for 1000 cycles, with an acceptable practical capacity of 585 mAh g−1 at a high sulfur loading mass of 10 mg cm−2. This work achieves rational control of the active Co2+ d electron state through the field effect and enriches the application of spin control to accelerate SRR in LSBs.
Prodigiosin Demonstrates Promising Antiviral Activity Against Dengue Virus and Zika Virus in In‐silico Study
Authors: Rahman Tanjilur , Bappi Mohammed Sajjad Hossain , Hossain Tanim Jabid
Published: November 2024

Dengue (DENV) and Zika virus (ZIKV), transmitted by Aedes mosquitoes, pose significant public health challenges. Effective treatments for these viruses remain elusive, highlighting the urgent need for new efficient antiviral therapies. This study explores prodigiosin, a microbial tripyrrole pigment, as an antiviral agent against both DENV and ZIKV employing advanced analytical approaches which integrate molecular docking, CASTp 3.0 validation and molecular dynamics (MD) simulations providing insights into molecular interactions at an atomic level. Prodigiosin exhibited favourable drug‐likeness properties, meeting Lipinski's rule of five and demonstrating optimal physicochemical and pharmacokinetic characteristics according to Ghose's, Veber's, Egan's and Muegge's filters, essential for oral bioavailability. Absorption, Distribution, Metabolism, Excretion, and Toxicity profiling indicated high intestinal absorption, minimal risk for drug‐drug interactions and a low toxicity profile, with no AMES toxicity, hepatotoxicity, or skin sensitization. Molecular docking revealed prodigiosin's strong binding affinities to NS5 methyltransferases of both DENV (−7.6 kcal/mol) and ZIKV (−7.7 kcal/mol) viruses, suggesting potential disruption of viral replication. Notably, prodigiosin's binding affinities were comparable to ribavirin‐5'‐triphosphate and chloroquine, known inhibitors of DENV and ZIKV, respectively. MD simulations confirmed stable and specific interactions with prodigiosin with low root‐mean‐square deviation values. Additional analyses, including root‐mean‐square fluctuation, radius of gyration and solvent‐accessible surface area, indicated compact and stable complexes. These multi‐parametric in‐silico analytical strategies provide a novel perspective of prodigiosin as an antiviral agent, demonstrating its drug interactions at the molecular level. These promising results suggest that prodigiosin could serve as a broad‐spectrum antiviral agent against both DENV and ZIKV, warranting further experimental validation for therapeutic development against flaviviral infections.
Engineering Logic‐Gated i‐Motif/G‐Quadruplex (iG4) Hybrid Structures for DNA Nanotweezer‐Based Aptasensing
Authors: Dong Peiting , Li Zijun , Wang Qiwei , Shi Lili , Li Tao
Published: November 2024

Given high levels of both K+ and H+ in the tumor microenvironment, G‐quadruplex (G4) and i‐motif can in principle be utilized as two cooperative modules to build logic‐gated DNA nanodevices for microenvironment recognition and targeting. Combined use of G4 and i‐motif in DNA nanoassemblies, however, usually causes the uncontrolled DNA aggregation. To address this trouble, we well design a novel i‐motif/G‐quadruplex (iG4) hybrid structure that integrates two four‐stranded DNA helices in a folding topology, with a parallel mini‐duplex flanking at the 5’ end to provide a binding site for fluorescent ligands. This design enables that the folded and lighting‐up DNA structure is favored by H+ and K+ together, consistent with a two‐input AND gate behavior. We then employ the iG4 structure to guide a DNA nanotweezer that is clamped by an altered split ATP aptamer, which brings a proximity effect contributing to the proper folding of iG4 in slightly acidic microenvironments and enables the sensitive detection of endogenous ATP in cancer cell lysates.
Engineering Regioselectivity of P450 BM3 Enables the Biosynthesis of Murideoxycholic Acid by 6β‐Hydroxylation of Lithocholic Acid
Authors: Deng Fangzhi , Zhou Zhenru , Du Zhen , Mohany Mohamed , Wu Qunyue , Liang Weiyang , Zhang Lei , Li Shan
Published: November 2024

Murideoxycholic acid (MDCA), as a significant secondary bile acid derived from the metabolism of α/β‐muricholic acid in rodents, is an important component in maintaining the bile acid homeostasis. However, the biosynthesis of MDCA remains a challenging task. Here, we present the development of cytochrome P450 monooxygenase CYP102A1 (P450 BM3) from Bacillus megaterium, employing semi‐rational protein engineering technique. Following three rounds of mutagenesis, a triple variant (T260G/G328A/L82V) has been discovered that proficiently catalyzes the 6β‐hydroxylation of lithocholic acid (LCA), thereby generating MDCA with an impressive 8.5‐fold increase in yield compared to the template P450 BM3 mutant. The MDCA selectivity has been also promoted from 62.0% to 96.3%. This biocatalyst introduces a novel approach for the biosynthesis of MDCA from LCA. Furthermore, molecular docking and dynamics simulations have been employed to unravel the molecular mechanisms underlying the enhanced LCA conversion and MDCA selectivity.
Mathematical Modeling and Simulation of 1,3‐Propanediol Production by Klebsiella pneumoniae BLh‐1 in a Batch Bioreactor Using Bayesian Statistics
Authors: Moraes Nathalia Lobato , de Vilhena Mailson Batista , Rossi Daniele Misturini , Viegas Bruno Marques
Published: November 2024

Mathematical modeling and computer simulation are fundamental for optimizing biotechnological processes, enabling cost reduction and scalability, thereby driving advancements in the bioindustry. In this work, mathematical modeling and estimation of fermentative kinetic parameters were carried out to produce 1,3‐propanediol (1,3‐PDO) from residual glycerol and Klebsiella pneumoniae BLh‐1. The Markov chain Monte Carlo method, using the Metropolis‐Hastings algorithm, was applied to experimental data from a batch bioreactor under aerobic and anaerobic conditions. Sensitivity analysis and parameter evolution studies were conducted. The root‐mean‐square error (rRMSE) was chosen as the validation and calibration metric for the developed mathematical model. The results indicated that the average tolerance of glycerol was 174.68 and 44.85 g L−1, the inhibitory products was 150.95 g L−1 for ethanol and 35.56 g L−1 for 1,3‐PDO, and the maximum specific rate of cell growth was 0.189 and 0.275 h−1, for aerobic and anaerobic cultures, respectively. The model presented excellent fits in both crops, with rRMSE values between 0.09 − 33.74% and 3.58 − 31.82%, for the aerobic and anaerobic environment, respectively. With this, it was possible to evaluate and extract relevant information for a better understanding and control of the bioprocess.
A headspace GC–MS method to quantify nitrosamine impurities and precursors in drug products: Method validation and product testing
Authors: Selaya Susan Daniela , Abrigo Nicolas , Brown Dustin G. , Desai Saaniya , Beekman Christopher , Faustino Patrick , Shakleya Diaa
Published: November 2024

Pharmaceutical manufacturers are working to mitigate the formation of nitrosamine impurities in drug products. The work herein describes the development and validation of a headspace GC–MS method according to ICH Q2(R1) guidelines for the detection and quantification of NDMA, NDEA, NDIPA, and NEIPA in drug products. The analytical procedure was further modified to include detection and quantitation of DMF due to the potential decomposition pathway of DMF to form dimethylamine, a known precursor for NDMA formation. The NDMA impurity was detected in the “sartan” class of drug products between 0.1 and 113 ppm. The validated analytical procedure was applied in an investigation of approaches to mitigate nitrosamine formation in metformin drug products. The developed analytical procedures provide another tool for pharmaceutical manufacturers to evaluate drug products for nitrosamine impurities.
Mentalising severe self‐harm: A longitudinal single case study of an add‐on AMBIT program
Authors: Høgenhaug Stine Steen , Bloch Marie Skaalum , Jensen Stefan Lock , Olesen Anne Vingaard , Telléus Gry Kjærsdam
Published: November 2024

Background

Mentalization‐based treatment (MBT) has been proposed as a promising approach when treating patients suffering from borderline personality disorder (BPD) and severe self‐harm. Though study findings on MBT for patients who self‐harm are convincing, a meta‐analysis showed mixed results, calling for further research and the development of treatment protocols (Gross et al., 2024).

Aim

The aim of this study was to describe an add‐on AMBIT intervention for adult patients suffering from severe self‐harm. To demonstrate the add‐on AMBIT’s potential, a descriptive longitudinal study design was facilitated and illustrated with a single case of a woman in her mid‐twenties suffering from BPD and severe self‐harm.

Materials and Methods

Multiple data sources were applied to show the longitudinal development of the patient one year before entering treatment, during treatment, and one year after treatment including calculation of number of hospitalized bed days, coercion episodes, and suicide attempts. Additionally, the Deliberate Self‐Harm Inventory, the Affect Integration Inventory, the Inventory of Interpersonal Problems, the Hopkins Symptom Checklist, and the WHO’s Quality of Life questionnaire were measured every third month during a 2‐year treatment period to examine trajectories of change across time.

Results

Results revealed significant improvements on all measured parameters including a reduction in the patient’s number of bed days (from 166 to 0), hospitalizations (from 4 to 0), coercion episodes (from 22 to 0), and suicide attempts (from 2 to 0). Furthermore, measures during the treatment period showed reduced self‐harm, decreased symptomatology, increased affect integration, better interpersonal functionality, and improved everyday functioning. Measures 1 year after treatment suggested lasting effects.

Discussion

The potential of the add‐on AMBIT intervention is discussed, including limitations and future research recommendations.
PainterAR: A Self‐Painting AR Interface for Mobile Devices
Authors: Ma Yuan , Shi Yinghan , Zhao Lizhi , Lu Xuequan , Duh Been‐Lirn , Wang Meili
Published: November 2024

Painting is a complex and creative process that involves the use of various drawing skills to create artworks. The concept of training artificial intelligence models to imitate this process is referred to as neural painting. To enable ordinary people to engage in the process of painting, we propose PainterAR, a novel interface that renders any paintings stroke‐by‐stroke in an immersive and realistic augmented reality (AR) environment. PainterAR is composed of two components: the neural painting model and the AR interface. Regarding the neural painting model, unlike previous models, we introduce the Kullback–Leibler divergence to replace the original Wasserstein distance existed in the baseline paint transformer model, which solves an important problem of encountering different scales of strokes (big or small) during painting. We then design an interactive AR interface, which allows users to upload an image and display the creation process of the neural painting model on the virtual drawing board. Experiments demonstrate that the paintings generated by our improved neural painting model are more realistic and vivid than previous neural painting models. The user study demonstrates that users prefer to control the painting process interactively in our AR environment.
Antiedematogenic and Anti‐Inflammatory Effects of the Essential Oil from the Fruits of Piper tuberculatum Jacq. (Piperaceae) in Animal Models
Authors: Santos da Silva Lucas Yure , Torres Pessoa Renata , Sousa Alcântara Isabel , dos Santos Silva Eduardo , Barros da Silva Aparecida , Caetano Alves Junior Silvio , De Aquino Saraiva Rogerio , Datiane de Morais Oliveira‐Tintino Cícera , Ribeiro‐Filho Jaime , Alencar de Menezes Irwin Rose
Published: November 2024

Piper tuberculatum, traditionally known in Brazil as ‘pimenta‐d'arda,’ ‘pimenta‐longa,’ or ‘pimenta de macaco,’ has been used in Brazilian folk medicine to treat inflammatory symptoms. Considering this species’ significant essential oil content, the present study aimed to evaluate the anti‐edematogenic and anti‐inflammatory effects of the crucial oil Piper tuberculatum (EOPT) in vivo. To this end, Swiss mice (Mus musculus) of both sexes were treated orally with the EOPT at 50, 100, and 250 mg/Kg. The rotarod and open field evaluated the potential activity in the central nervous system. At the same time, formalin and abdominal writhing tests were carried out to perform the pharmacological screening of the essential oil. Next, the anti‐edematogenic effect was assessed using paw edema models induced by carrageenan, dextran, histamine, and arachidonic acid. The anti‐inflammatory activity was then characterized in peritonitis (acute) and granuloma (chronic) models. The EOPT treatment at the highest dose (250 mg/kg) showed no indication of central activity. All the EOPT doses (50, 100, and 250 mg/kg) had analgesic effects associated with anti‐inflammatory mechanisms in screening models. Accordingly, the treatment (EOPT 100 mg/Kg) inhibited the inflammatory process in acute and chronic models. In conclusion, EOPT has analgesic, antiedematogenic, and anti‐inflammatory effects, highlighting its potential use in developing anti‐inflammatory drugs.
Apigenin Improves Ovarian Dysfunction Induced by 4‐Vinylcyclohexene Diepoxide via the AKT/FOXO3a Pathway
Authors: Yu Yang , Zhang Tianchan , Li Xin , Yu Tianyang , Meng Fanci , Luan Yifeng , Cong Huifang , Wu Xiuhong
Published: November 2024

Perimenopausal syndrome is a significant issue that disturbs women's metabolism, mood and quality of life. Apigenin (4′,5,7‐trihydroxyflavone) is a natural flavonoid that exhibits antioxidant, anti‐inflammatory and anticancer effects. The present study aims to investigate the effect of apigenin on perimenopausal syndrome by combining bioinformatics analysis with in vivo experiments. The mouse model with perimenopausal syndrome was established using 4‐vinylcyclohexene diepoxide (VCD) treatment. Apigenin alleviated VCD‐induced disorder of estrous cycle and shrinkage of ovarian tissue. The reduction of anti‐Muller hormone and the increase of follicle stimulation hormone and luteinizing hormone triggered by VCD were reversed by apigenin in a dose‐dependent manner. Apigenin suppressed the VCD‐induced decrease of primordial, primary, secondary and antral follicle number in ovarian tissue. Oxidative stress in ovarian tissue was activated by VCD treatment through increasing the reactive oxygen species production. High concentration of apigenin significantly reversed the alteration induced by VCD. Apigenin alleviated VCD‐induced cell apoptosis through regulating Bax, Bcl‐2, cleaved PARP1 and caspase‐3. Furthermore, the phosphorylation of AKT and FOXO3a was inhibited by VCD and activated by apigenin in a dose‐dependent manner. Collectively, apigenin effectively mitigates the ovarian dysfunction through suppressing oxidative stress and apoptosis via the AKT/FOXO3a signaling pathway.
High‐Throughput Discovery of Substrate Peptide Sequences for E3 Ubiquitin Ligases Using a cDNA Display Method
Authors: Tamagawa Kenwa , Campbell Robert E. , Terai Takuya
Published: November 2024

Cells utilize ubiquitin as a posttranslational protein modifier to convey various signals such as proteasomal degradation. The dysfunction of ubiquitylation or following proteasomal degradation can give rise to the accumulation and aggregation of improperly ubiquitylated proteins, which is known to be a general causation of many neurodegenerative diseases. Thus, the characterization of substrate peptide sequences of E3 ligases is crucial in biological and pharmaceutical sciences. In this study, we developed a novel high‐throughput screening system for substrate peptide sequences of E3 ligases using a cDNA display method, which enables covalent conjugation between peptide sequences and their corresponding cDNA sequences. First, we focused on the MDM2 E3 ligase and its known peptide substrate as a model to establish the screening method, and confirmed that cDNA display method was compatible with in vitro ubiquitylation. Then, we demonstrated identification of MDM2 substrate sequences from random libraries to identify a novel motif (VKFTGGQLA). Bioinformatics analysis of the hit sequences was performed to gain insight about endogenous substrate proteins.
High malaria parasitemia in an Italian man and severe delayed hemolytic anemia
Authors: Lanzafame Massimiliano , Mori Giovanni , Lattuada Emanuela , Scarparo Claudio
Published: November 2024

Key Clinical Message

Parenteral artesunate has become the choice treatment of cases of high parasitemia malaria. We report the case of an Italian man with a high malaria parasitemia who promptly improved with intravenous artenusate, but who developed a delayed severe hemolytic anemia associated with intravenous artesunate treatment, requiring blood trasfusions.
Modulating the coordination environment of cobalt porphyrins for enhanced electrochemical nitrite reduction to ammonia
Authors: Han Jingwei , Sun Hai , Tian Fengkun , Zhang Wenwen , Zhang Zonghang , She Ping , Qin Jun‐Sheng , Rao Heng
Published: November 2024

Electrocatalytic reduction of nitrate pollutants to produce ammonia offers an effective approach to realizing the artificial nitrogen cycle and replacing the energy‐intensive Haber‐Bosch process. Nitrite is an important intermediate product in the reduction of nitrate to ammonia. Therefore, the mechanism of converting nitrite into ammonia warrants further investigation. Molecular cobalt catalysts are regarded as promising for nitrite reduction reactions (NO2−RR). However, designing and controlling the coordination environment of molecular catalysts is crucial for studying the mechanism of NO2−RR and catalyst design. Herein, we develop a molecular platform of cobalt porphyrin with three coordination microenvironments (Co‐N3X1, X = N, O, S). Electrochemical experiments demonstrate that cobalt porphyrin with O coordination (CoOTPP) exhibits the lowest onset potential and the highest activity for NO2−RR in ammonia production. Under neutral, non‐buffered conditions over a wide potential range (−1.0 to −1.5 V versus AgCl/Ag), the Faradaic efficiency of nearly 90% for ammonia was achieved and reached 94.5% at −1.4 V versus AgCl/Ag, with an ammonia yield of 6,498 μg h−1 and a turnover number of 22,869 at −1.5 V versus AgCl/Ag. In situ characterization and density functional theory calculations reveal that modulating the coordination environment alters the electron transfer mode of the cobalt active center and the charge redistribution caused by the break of the ligand field. Therefore, this results in enhanced electrochemical activity for NO2−RR in ammonia production. This study provides valuable guidance for designing adjustments to the coordination environment of molecular catalysts to enhance catalytic activity.
Water Quality Evaluation With Entropy Weight‒Grey Correlation Technique for Fishing Operation Area in Tianjin, China
Authors: Yuan Hui , Han Shaoqiang , Tian Ye , Zhang Ying , Bo Zhe , Liu Jiahong
Published: November 2024

The discharge of domestic sewage and waste oil from fishery activities can cause adverse impacts on coastal seawater in bays and estuaries. The Bohai Sea near Tianjin features strong water closure and weak self‐purification ability. The objective evaluation and analysis of pollution characteristics are crucial for assessing the quality of coastal seawater. This evaluation is essential for the sustainable development of traditional marine fisheries and serves as a powerful tool for government decision‐making. To this end, we constructed an entropy weight‒grey correlation technique for order preference by similarity to an ideal solution (TOPSIS) model (EWGCT) based on the traditional TOPSIS evaluation approach to evaluate the water quality of five fishing ports and operation areas. The spatial distribution characteristics, pollution characteristics, and key impactful indicators were identified via a geographic information system (GIS) and multivariate statistical analysis. The results show that (1) the EWGCT has the ability to rank water quality universally and evaluate it based on the comprehensive impact of all pollution factors; (2) petroleum (PETRO) was affected mainly by the waste oil discharged, and suspended solids (SS), dissolved inorganic phosphate (DIP), and fecal coliform bacteria (FCB) were affected mainly by the domestic sewage discharged; and (3) effective management of fishing vessel discharge is important for ensuring the quality of the seawater environment. By establishing the EWGCT, the reliability and rationality of the evaluation results are verified, which can provide a reference for the formulation of development strategies for coastal cities.
Comparison of Machine Learning Algorithms for Prediction of Textile Effluent Treatment Efficiency Using Anaerobic Process
Authors: Samuchiwal Saurabh , Saraswat Saurabh , Nair Vivek Kumar , Chaudhary Aman , Malik Anushree
Published: November 2024

The prediction of pollutants removal efficiency from the generated effluent of a treatment plant is valuable and can reduce the time, sampling and energy required during performance assessment. The present study aims to predict the effect of different input parameters on the treatment efficiency of the developed microbial‐based anaerobic process for textile effluent using machine leaning algorithms. The decolourisation and chemical oxygen demand (COD) reduction of the treated effluent were predicted on the basis of the three different input parameters pH, COD and colour value of the textile wastewater. The effectiveness of different machine learning algorithms, support vector machines (SVM), random forest (RF), gradient boost regressor (GBR), AdaBoost, extreme gradient boosting (XGB) regressor and voting regressor, were evaluated based on the correlation coefficient (R2) value. The results revealed that the RF achieved the highest accuracy for decolourisation (training data R2: ∼0.85 and test data R2: ∼0.84) as well as COD reduction (training data R2: ∼0.87 and test data R2: ∼0.94) compared to the other algorithms. These results were validated experimentally, confirming that RF can be used as a tool to predict the performance efficiency of a microbial‐based treatment system.
Analyzing Extracellular Vesicle‐associated DNA Using Transmission Electron Microscopy at the Single EV‐level
Authors: Tsering Thupten , Nadeau Amélie , Rak Janusz , Burnier Julia V.
Published: November 2024

Extracellular vesicles (EVs) play an important role in cell‐cell communication, carrying bioactive molecules including DNA. EV‐associated DNA (EV‐DNA) has created enormous interest in the field of biomarkers, particularly related to liquid biopsy. However, its analysis is challenging due to the nanoscale structure of EVs, the low abundance of EV‐DNA, and surrounding biogenetic debate. Therefore, novel protocols to enhance the accurate detection of EV‐DNA are essential to study its role in normal physiology and disease states. Here, we provide two protocols for confirming the presence of EV‐DNA from biological samples. In the first protocol, ultrathin sectioning of EVs is combined with immunogold labeling to detect the presence of double‐stranded (ds) DNA within the EV lumen using transmission electron microscopy (TEM). In the second protocol, whole‐mount EV immunogold labeling allows detailed morphological analysis of EVs and their surface‐associated DNA. Using TEM imaging, we have demonstrated that cancer‐cell‐derived individual EVs exhibit simultaneous positivity for dsDNA and the EV surface protein tetraspanin 9. We believe that this method can be used to label any proteins of interest inside as well as on the surface of EVs. This can aid in the characterization of single EVs and in the identification and verification of EV‐associated biomarkers. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: EV isolation from cell‐culture‐conditioned medium, EV embedding, ultrathin sectioning, labeling, and imaging

Basic Protocol 2: Whole‐mount immunolabeling of EV‐DNA
Exploring food delivery app adoption: Corporate social responsibility and perceived product risk's influence
Authors: Prisco Anna , Sepe Fabiana , Nanu Luana , Tani Mario
Published: November 2024

This study examines factors influencing consumer adoption of food delivery apps during and after the COVID‐19 pandemic, focusing on the role of perceived product risk and sustainability alongside traditional behavioral predictors. Using the Theory of Planned Behavior extended with perceived product risk and sustainability components, the study employs a quantitative survey approach to assess consumer attitudes and intentions regarding food delivery app usage via PLS‐SEM. Subjective norms strongly predict the intention to use food delivery apps, while perceived product risk and sustainability concerns negatively influence adoption. This indicates that consumers valuing social and environmental issues are less likely to use these apps. This research offers a novel perspective by integrating perceived product risk and sustainability into the study of food delivery app adoption, enriching the existing literature, and providing insights on consumer behavior in the digital marketplace.
Reversible Photo‐Responsive Hydrophobic Coating Synthesized from Lignin‐Derivable Molecules on Nanocellulose Films for Packaging Applications
Authors: Sinha Roy Pallabi , Nasiri Naghmeh , Patti Antonio F. , Allais Florent , Saito Kei , Garnier Gil
Published: November 2024

Paper‐based packaging can offer a sustainable replacement for plastics. However, paper provides a poor barrier to water, oxygen and moisture. This study presents a novel renewable lignocellulosic composite made from a hydrophobic photo‐reversible coating deposited onto a cellulose nanofiber film that has improved barrier properties and can be reprocessed. Diglycerol and lignin‐derivable aldehyde were reacted to form a tetra‐functional monomer with photo‐responsive unsaturated double bonds that can be converted to covalent cyclobutane rings to create reversibly crosslinkable network upon UV‐irradiation. The photo‐responsive compound was applied as a thin coating of thickness 2.7±0.4 μm over cellulose nanofiber (CNF) films of thickness 80±19 μm. The surface of the coated films became hydrophobic with a contact angle (CA) of 93.1±1.7° and displayed a low water vapour transmission rate (WVTR) of 16±2 g/m2/day vs. 30.7±1.5° CA and 81±11 g/m2/day WVTR for uncoated CNF films. The coated film is also oleophobic, an attractive feature for food packaging applications. The reversible photo‐reaction enables the crosslinked covalent network to be broken down to unsaturated double bonds once exposed to a higher‐energy UV irradiation, allowing reprocessing and recycling. The novel coating was developed using a sustainable green synthesis method (process simple E factor 0.9).