bluuebunny/crossref_metadata_2025 huggingface dataset:
Iliac Crest Bone Graft and Fascia Lata Free Flap for Rescue of Mandibular Osteoradionecrosis
Authors: Vos Derek J. , Liu Sara W. , Arianpour Khashayar , Ciolek Peter J. , Prendes Brandon L. , Fritz Michael A.
Published: January 2025

Objective

Describe the use, indications, and outcomes of iliac crest bone graft (ICBG) with concomitant anterolateral thigh fascia lata (ALTFL) rescue flap for the management of mandibular osteoradionecrosis (ORN).

Study Design

Retrospective chart review.

Setting

Single institution.

Methods

Retrospective chart review of patients who underwent ICBG with ALTFL rescue flap for mandibular ORN between 2011 and 2023.

Results

Twenty‐three patients (mean age 66.5 years, 73.9% male) with mandibular ORN underwent ICBG at the time of ATLFL. Patients failed prior antibiotic therapy (78.3%), hyperbaric oxygen therapy (39.1%), and/or pentoxifylline/tocopherol (34.8%). The most common mandibular subsites included the body (91.3%) and the angle (60.9%). All patients underwent concurrent ICBG with ALTFL to augment cortical height of retained mandible (<1 cm following debridement of ORN to healthy, bleeding bone). Following the ALTFL rescue flap with ICBG, the median length of stay was 3 days. There was 1 episode of flap failure noted at follow‐up, requiring additional ALTFL procedure. No other major complications were reported at the reconstructed site. There were no complications associated with ICBG harvest, with all patients ambulating at the time of discharge. The mean clinical follow‐up length was 20 months. Mandibular stability, based on radiographic features and clinical symptoms, was maintained in the majority of patients. Mandibular height was restored to an average of 1.9 cm, with a mean radiographic follow‐up length of 16.8 months. A subset of patients (n = 4, 17.4%) experienced a flare in ORN symptoms following this procedure and required additional mandibular debridement with antibiotic therapy. One such patient required segmental mandibulectomy with osteocutaneous free flap reconstruction; however, all other patients exhibited radiographic and clinical arrest of symptoms for the follow‐up period of 6.5 to 61.7 months.

Conclusion

In patients undergoing ALTFL rescue flap for mandibular ORN, ICBG appears to supplement mandibular height and strength in patients with limited remaining mandibular bone height following debridement, with successful arrest of clinical and radiographic disease progression, low morbidity, and abbreviated hospital stays.

Level of Evidence

Level 4.
Dynamically Vulcanized Thermoplastic Elastomer of Polylactic Acid (PLA) and Chloroprene Rubber (CR) Bioblends: Thermoactive Shape Memory Properties
Authors: abdollahifar Helen , Garmabi Hamid , Katbab Ali Asghar
Published: January 2025

Novel shape memory thermoplastic vulcanizates (TPVs) based on polylactic acid (PLA) and chloroprene rubber (CR) have been fabricated via a dicumyl peroxide (DCP)‐induced dynamic vulcanization process. In situ, melt reactive compatibilization was achieved by molecular grafting of PLA onto the CR chains. This was evidenced by ATR‐FT‐IR spectroscopy, swelling test, and dynamic mechanical thermal analysis (DMTA) results. Field emission scanning electron microscopy revealed co‐continuous morphology for dynamically vulcanized PLA/CR blends even at a 70/30 phase ratio of PLA/CR compared to the unvulcanized counterpart samples. This novel microstructure surprisingly indicated a network with excellent shape memory performance with shape fixity close to 100% and high shape recovery of ~90% compared to pure PLA. Furthermore, the PLA/CR thermoplastic vulcanizate (TPVs) displayed significantly improved tensile and impact strength in comparison with the unvulcanized PLA/CR blends, which are attributed to both the microstructure of the blend and the chemically cross‐linked nature of PLA and CR chains. The DMTA results illustrated higher elastic modulus for TPVs as a result of dynamic vulcanization and their unique microstructure.
Cranial, Renal, and Skeletal Anomalies in a Fetus With a Pathogenic Variant in the TAFAZZIN Gene
Authors: Muir Cordelia R. , Gilmore Kelly L. , Singh Smriti , Vora Neeta L.
Published: January 2025

Objective

To report a case of a fetus with multiple congenital anomalies and suspected Barth syndrome, highlighting potential phenotypic expansion of the syndrome.

Methods

A 32‐year‐old G4P2011 patient was referred at 18w5d gestation for suspected fetal encephalocele. Serial imaging, including ultrasound and MRI, was performed to evaluate fetal anomalies. Doppler studies assessed fetal development and postnatal findings were documented. Genetic variants were identified using trio whole exome sequencing.

Results

Initial ultrasound revealed occipital encephalocele, right renal aplasia, and abnormal vertebral curvature. Follow‐up MRI confirmed occipital encephalocele and identified Chiari malformation but normal renal morphology. Phenotypic evolution included intrauterine growth restriction (IUGR), right renal hypoplasia, cardiomegaly, polyhydramnios, and hydrops fetalis. Delivery occurred via cesarean section at 30w6d due to non‐reassuring Doppler findings. Postnatally, the neonate exhibited esophageal atresia, vertebral segmentation and rib morphology defects, and right renal aplasia. The neonate died on the first day of life due to cardiac decompensation. Genetic testing identified a TAFAZZIN c.589G>A p.(Gly197Arg) pathogenic variant, consistent with Barth syndrome.

Conclusion

The presentation of IUGR, cardiomyopathy, and hydrops fetalis aligns with Barth syndrome. However, the additional findings of occipital encephalocele, renal aplasia, and vertebral and rib anomalies suggest a potential phenotypic expansion of Barth syndrome.
Growth, Body Composition, and Strength of Children With Cystic Fibrosis Treated With Elexacaftor/Tezacaftor/Ivacaftor (ETI)
Authors: Boat Thomas , Hossain Md Monir , Nakamura Aisaku , Hjelm Michelle , Hardie William , Wackler Matthew , Amato Alyssa , Dress Carolyn
Published: January 2025

Objective

We prospectively monitored rates of change for growth, body mass and composition, muscle strength, and FEV1 in 6−11‐year‐olds initiating ETI therapy, comparing them to those of US reference children. We assessed factors potentially contributing to rate of change and report ranges of individual variation.

Methods

Body composition was assessed using bioelectrical impedance analysis (BIA), and rates of change were analyzed using linear mixed effects regression models.

Results

At enrollment, median BMI‐Z was 0.6 (IQR: −0.2, 1.1), percent body fat (PBF) was 22.7 (14.0, 31.5), and percent predicted(pp) FEV1 was 100 (90, 106). During ETI treatment, mean Z scores for annualized change rates of BMI (0.02 ± 0.07; p = 0.74), FMI (0.02 ± 0.08; p = 0.76), and FFMI (−0.03 ± 0.07; p = 0.68) were not different from zero. The most rapid weight gain occurred in girls (p = 0.01), 10−11‐year‐olds (p < 0.001), and those previously treated with a modulator (p = 0.005). Individual rates of change varied widely; PBF increased for 15 children (range: 0.7 to 10.0) and decreased for 12 (range: −0.7 to −9.5). Changes in body mass and composition were not significantly associated with changes in ppFEV1; regression coefficients were positive for FFMI (0.83) and SMMI (1.07) and negative for FMI (−0.29).

Conclusion

Healthy, well‐nourished children with CF, as a group, experienced growth and body composition changes similar to those of US children, added muscle mass, and often added more FM than FFM during ETI therapy. Individual variation underscores the need for body composition monitoring and interventions that promote healthy physical maturation for all during ETI therapy.
The Interplay Between Respiratory Syncytial Virus and Asthma Inception: Insights Gained From the COVID‐19 Pandemic
Authors: Amram Talia , Duek Or A. , Golan‐Tripto Inbal , Goldbart Aviv , Greenberg David , Hazan Guy
Published: January 2025

Background

Respiratory syncytial virus (RSV) infection in the first year of life has been linked with an increased risk for asthma. Some propose that RSV‐induced inflammation leads to lasting airway changes, while others contend that RSV bronchiolitis is a marker for underlying predisposition. Social distancing adopted during the COVID‐19 pandemic has led to a dramatic reduction in RSV activity, providing an unexpected opportunity to investigate this debate.

Objective

To compare the incidence of asthma‐related healthcare‐utilization (HCU) in 1–3 years of age between children born in March–June 2020 (l‐RSV) and children born during the same months in the years 2014–2017 (H‐RSV).

Study Design and Methods

This retrospective study utilized nationwide healthcare database records from Clalit‐Healthcare‐Services, the largest healthcare organization in Israel. The study analyzed asthma‐related HCU, using multivariate logistic regression and Bayesian analyses.

Results

172,463 children were included in the study: 32,927 in the l‐RSV group versus 139,536 in the H‐RSV group. The l‐RSV cohort showed insignificant changes and increased rates of asthma‐related HCU between 1 and 3 years of age in some asthma surrogates, compared to the H‐RSV group.

Conclusion

Reduction in RSV exposure during the first year of life did not correlate with a decrease in asthma‐related HCU. This may imply that RSV infection in infancy functions as an indicator of underlying predisposition rather than a direct cause of asthma.
Microwave Assisted Facile Synthesis of Butyl Acetate Over Dealuminated Beta Zeolite
Authors: Rao Bhondanthila Radhika , C. M. Hemanth Kumar. , Prakruthi Hullukere R. , B. M. Chandrashekara. , Gurudatt Doddahosuru Mahadevappa , K. C. Prakasha , Srikantamurthy Ningaiah , Chaitra Turuvekere Krishnamurthy
Published: January 2025

Solventless esterification of n‐butanol with acetic acid was investigated over original and partially dealuminated Beta zeolite catalysts. A mild organic acid, para‐toluene sulfonic acid (p‐TSA) of varied molar concentration was used for controlled dealumination of Beta zeolite under microwave heating. The effect of acidity modulation on the conversion of acetic acid and the recyclability of the used catalytic material was studied. The structural integrity, surface area, and the acidity of the original and modified catalyst samples were examined through XRD, BET,, and TPD ammonia techniques respectively. The reaction was investigated under both conventional and microwave heating maintaining similar experimental conditions. Observed results showed nearly similar acetic acid conversion in both modes of heating, but reactions in microwave heating were found to be considerably faster than conventional mode. The results reveal that the solventless esterification under microwave irradiation is an efficient green route for the esterification of n‐butanol with acetic acid.
A Novel Halogen‐Illumined Hydrazine Fluorescent Probe
Authors: Xu Wenzhi , Du Jie , Li Xue , Wang Shuo , Zhang Honglei , Li Wei
Published: January 2025

Hydrazine had important applications in medicine, the chemical industry, and agriculture, but hydrazine pollution was also very harmful to human beings. Chemists have reported many types of hydrazine fluorescent probes. However, it was still challenging to continuously improve the selectivity and sensitivity of hydrazine fluorescent probes. Here, we designed and synthesized a novel NH2NH2 fluorescent probe based on the neighboring group participation (NGP). We choose bromine and chlorine as the neighboring group respectively. The probe had good anti‐interference ability. The detection limits to hydrazine were 0.027 µM (probe A) and 0.054 µM (probe B). The sensing mechanism was confirmed by 1H NMR, 13C NMR, and FT‐IR. Theoretical calculation showed that the energy barrier could be reduced by NGP. In terms of application, the probe has the function of quantitative detection of hydrazine in actual water samples.
Therapeutic Potential Of M@B40 (M = Mg and Ca) Fullerene as a Drug Delivery System for Gemcitabine Anti‐Lung Cancer Drug: A DFT Approach
Authors: Sukumar Abisha Nancy , Paul S Prince Makarios , Gopalan Praveena , Abiram A.
Published: January 2025

In this research work, we employed density functional theory (DFT) calculations both in gas and aqueous environment to examine the gemcitabine drug delivery efficacy of M@B40 (M = Mg and Ca) fullerene. The outcomes revealed that gemcitabine tends to bind through its double bonded O group to the boron atom of Mg@B40 and Ca@B40 fullerenes, resulting with significant adsorption energies. QTAIM analysis is utilized to clarify the interaction between the fullerene and gemcitabine complex, uncovering the existence of partial covalent interactions. The NBO and MEP analyses provides additional support for the interaction and significant charge transfer occurring between the gemcitabine drug and M@B40 (M = Mg and Ca) fullerene. The drug loading capacity of both metal‐encapsulated B40 fullerene is high, as they can accommodate up to five gemcitabine drug molecules. The drug release process and recovery time calculations are also conducted to facilitate the rapid desorption of the drug from the carrier. These findings offer valuable insights into the potential applications of M@B40 (M = Mg and Ca) fullerene in the realm of drug delivery within the biological systems.
Electrocatalytic Effect of Graphitic Carbon Nitride, MWCNTs, and Au Nanoparticle Composite on the Electroanalysis of Sleep Hormone, Melatonin in the Presence of its Precursors in Body Fluids
Authors: Hashemian Elahe , Faridbod Farnoush
Published: January 2025

Electroanalysis of melatonin, known as the sleep hormone, in the presence of its precursors, L‐tryptophan and 5‐hydroxy tryptophan in biological matrixes is an attractive research topic. The interference of voltammetric oxidation signals of these compounds, which have similar chemical structures, causes their determination to be challenging. This project aims to conduct a real‐time electroanalysis of melatonin and its precursors in biological samples using a novel nanocomposite platform. The new platform incorporates multi‐walled carbon nanotubes (MWCNTs), gold nanoparticles (GNPs), and graphitic carbon nitrides (g‐C3N4) placed on a glassy carbon electrode surface. The voltammetric oxidation peak of melatonin can be effectively separated from other precursors on this new surface. Thus, melatonin can be easily determined electrochemically in the presence of its precursors. In optimized conditions, this electroanalytical method displayed a linear response range between 5.0 × 10−7to 1.0 × 10−5 mol/L for both melatonin and 5‐hydroxy tryptophan and 5.0 × 10−8 to 1.0 × 10−6 mol/L for L‐tryptophan. Furthermore, the proposed modified electrode was successfully applied to determine melatonin and its precursors in various real samples such as human plasma, urine, and pharmaceutical formulations. The new sensor revealed excellent precision, remarkable simplicity, acceptable selectivity, good reproducibility, long‐term stability, and a rapid response toward melatonin, L‐tryptophan, and 5‐hydroxy tryptophan in biological matrixes.
Physico‐Chemical Investigation of Clouding Behavior, Thermodynamics, and Interaction Forces for Triton X‐100 and Tetracaine Hydrochloride Mixture: Assessment of Effects of Electrolytes
Authors: Jahan Israt , Islam Mahidul , Hasan Tajmul , Islam Md. Rafikul , Banjare Manoj Kumar , Al‐Anazi Khalid Mashay , Farah Mohammad Abul , Kowser Zannatul , Islam Tasmia , Hoque Md. Anamul , Kabir Shariff E.
Published: January 2025

Assessment of clouding development and thermodynamic parameters of the surfactant‐drug mixtures are crucial for chemists, industrialists, and researchers because of the numerous possible uses of this combined mixture in the pharmaceutical sectors. Cloud point (CP) of the surfactant triton X‐100 (TX‐100) and tetracaine hydrochloride (TCH) drug mixed system was explored in aqueous and aqueous inorganic salts (NaCl, NaBr, Na2SO4, and Na3PO4) media. In an aqueous medium, an enhanced pattern in the CP values of amphiphile used was observed with rising concentration of TCH drug. On the contrary, the CP values of study mixture were followed to be reduced through the growth of inorganic salts concentration and follows the sequential order as: . The decreased CP indicates the reduction of solubility of the investigation system in salts media in comparison to aqueous medium. Different thermodynamic parameters were determined at CP and discussed properly. Entropy () and enthalpy () values for clouding of TX‐100 + TCH mixtures were obtained positive in aqueous media and negative in electrolytes media. According to the magnitudes of and , the electrostatic and hydrophobic interactions are the main forces operating between TX‐100 and TCH. In this instance, the intrinsic enthalpy ) and compensation temperature (Tc) were assessed, compared, and discussed logically.
Variation in Structural Features Induced by ortho‐Substituted Benzoate Ligands in Zinc Cyclam‐Based Compounds: Synthesis, Characterization, and Hirshfeld Studies
Authors: Harmalkar Nikita , Dhuri Sunder N.
Published: January 2025

This paper investigates the structural diversity and non‐covalent interactions in eight newly synthesized [Zn(II)(cyclam)]2+ compounds (1–8) featuring ortho‐substituted benzoate ligands. Compounds (1) and (2) exhibit 1D polymeric structures, wherein aqua ligands bridge the cationic and anionic units, resulting in [Zn2(μ‐H2O)2(cyclam)(L)4] compounds. Here, L = o‐methyl benzoate in 1, L = o‐methoxy benzoate in 2, cyclam = 1,4,8,11‐tetraazacyclotradecane. Conversely, using hydroxy and nitro substituents at the ortho position results in the formation of zero‐dimensional compounds 3 and 4, [Zn(C10H24N4)(L)2] (L = o‐hydroxybenzoate in 3, L = o‐nitrobenzoate in 4). Interestingly, the application of benzoate, o‐chlorobenzoate, o‐(methylthio)benzoate, and o‐aminobenzoate led to significant variation in the crystal packing, resulting in discrete ionic compounds 5–8. The analysis of geometric descriptors revealed the disruption of isostructurality in related isomorphous compounds upon switching the ortho substituents. To gain a deeper understanding of the non‐covalent interactions that govern the supramolecular self‐assemblies, we conducted Hirshfeld surface analysis on the compounds.
Crystallographic Analysis and Theoretical Investigation of Intermolecular Interactions and Antimicrobial Activity of Synthesized 1‐(3‐Chloropropyl)Piperidin‐1‐Ium Tetraphenylborate
Authors: Bakheit Ahmed H. , Mostafa Gamal A. E. , Al‐Agamy Mohamed H. , Al‐Salahi Rashad , Ali Essam A. , Alrabiah Haitham
Published: January 2025

The study introduces a novel ionic compound, 1‐(3‐chloropropyl)piperidin‐1‐ium tetraphenylborate (NCPP‐TPB), synthesized and characterized through an integrated approach of spectroscopic, crystallographic, and computational analyses. Single‐crystal X‐ray diffraction confirmed the compound's solid‐state structure, emphasizing its intricate hydrogen bonding and noncovalent interactions, which ensure structural stability. Hirshfeld surface and QTAIM analyses quantitatively, evaluated these interactions, indicating dominant H─H and C─H/H─C contacts. Density functional theory (DFT) calculations at the B3LYP/6‐311G(d,p) level established an interaction energy of −136.6 kcal/mol, suggesting the significant stabilization through these noncovalent interactions. The compound exhibited potent antimicrobial properties, particularly against Staphylococcus aureus, with a minimum inhibitory concentration (MIC) of 12.5 µg/mL, and against Candida albicans, with an MIC of 25 µg/mL. This research enhances the understanding of the structural dynamics and potential pharmaceutical applications of NCPP‐TPB, contributing a valuable insight into the design of ion‐pair complexes with significant biological activities.
Formulation of Rutin Lipid Nanoparticles‐Based Gel: in vitro Characterization, Molecular Docking and Cytotoxicity Assessment
Authors: Altwaijry Najla , Gilani Sadaf Jamal , Sultan Ahlam Mansour , Basoudan Reem , Albesher Reem , Taleuzzaman Mohamad
Published: January 2025

Rutin (RT) is a water‐insoluble flavonoid reported for different biological activities including anticancer activity. Its activity is limited due to the poor aqueous solubility. To overcome drawbacks, nano‐sized amphiphilic lipid particles (RTLNPs) were developed using glyceryl monostearate (solid lipid), poloxamer 188 as well as tween 80 (surfactant). The different ratios were used to prepare and optimize RTLNPs by melt emulsification followed by the ultrasonication method. The developed RTLNPs were evaluated for particle size (PS), surface charge (ZP), encapsulation efficiency (EE), drug‐polymer interaction (IR, DSC, XRD), and in vitro drug release. The optimized RTLNPs (RT2) were further converted to transdermal gel using a polymer blend (Carbopol and HPMC). Further, the prepared gels (RTLNPsG) were evaluated for gel characterization, membrane permeation (Strat‐M membrane), antioxidant, cytotoxicity (skin cancer), and molecular docking study. RTLNPs were successfully prepared using the method and depicted in nanometric size range, low PDI, negative surface charge, and high encapsulation efficiency. It has shown the maximum drug release of 71.2 ± 2.1% in 24 h with biphasic release behavior. There was no RT polymer interaction observed confirmed by the IR study. DSC and XRD result in the conversion of crystalline RT into an amorphous form. The gel characterization revealed optimum gel properties and enhanced permeation compared to the control RT gel. It also displayed better in vitro antioxidants and exhibited better cytotoxicity activity against skin cancer cells than pure RT. The binding energy score (−5.52 Kcal/mol) supports the finding of the cell viability assay.
Reactive Blue 19 Dye's Decomposition in Aqueous Environments Using Combined PS/US/AC‐Fe3O4 Process
Authors: Rashtbari Yousef , Parastar Saeed , Poureshgh Yousef , Ghotekar Suresh , Asl Farshad Bahrami , Abazari Malek , Shabanloo Amir
Published: January 2025

High concentrations of reactive dyes in receiving waters pose a danger to the ecosystem due to unique properties such as high alkalinity and strong structural stability, which distinguish them from other dyes. This study aims to investigate the efficiency of the sono‐catalytic process combined with activated carbon/Fe3O4 and persulfate (PS/US/AC‐Fe3O4) in removing reactive blue 19 dye (RB 19) from aqueous solutions as well as to optimize the factors influencing removal efficiency. Activated carbon (AC) was prepared from worn‐out tires and Fe3O4 was synthesized using co‐precipitation. The optimization of the experiments and data analysis for RB 19 removal was conducted using the Box Behnken Design (BBD). The optimal values for pH, initial concentration, persulfate(PS)dosage, composite dosage, and reaction time were determined to be 3.1 mg/L, 22.4 mg/L, 1.34 g/L, 1.75 g/L, and 90 minutes, respectively. Based on variance analysis of the experimental results for various models, the second‐order kinetic model with a high correlation coefficient (R2 = 0.9685) and (Rajd2 = 0.9432) was selected for estimating dye removal using PS/US/AC‐Fe3O4 process. The percentage of chemical oxygen demand (COD) removal was found to be 68% under optimum conditions. Considering these results, this method can be applied to treat wastewater from industries that produce dye combinations.
A Flexible Rolling Triboelectric Nanogenerator with a Bionic Gill Cover Structure for Low‐Velocity Water Flow Energy Harvesting
Authors: Zhang Jiacheng , Li Hengyu , Wang Jianlong , He Siyang , Wang Xinxian , Yu Yang , Zhu Jianyang , Cheng Xiaojun , Jiang Lin , Wang Zhong Lin , Cheng Tinghai
Published: January 2025

Harvesting low‐velocity water flow energy stably over the long term is a significant challenge. Herein, a flexible rolling triboelectric nanogenerator with a bionic gill cover structure (GFR‐TENG) to harvest steady low‐velocity water flow energy is proposed. The dielectric material of the GFR‐TENG is eight flexible hollow fluorinated ethylene propylene (FEP) pipes, which guarantees that rolling friction is formed between the dielectric material and copper electrode. This design significantly reduces wear between the dielectric material and copper electrode and enhances the durability of the triboelectric nanogenerator. Even after 1 700 000 cycles, its performance retention rate is more than 95%. The GFR‐TENG using the wheel with bionic whale shark gill cover structure exhibits outstanding hydrodynamic performance, increasing by 24.54% comparing the normal wheel on the rotation frequency. In the research of water parameters, the GFR‐TENG can steadily harvest water flow energy at a low‐velocity water flow of 0.22 m s−1. Meanwhile, the GFR‐TENG can all exhibit outstanding performance at different immersion depths. Finally, a wireless temperature sensor and a wireless light sensor are each powered by the GFR‐TENG, which harvests energy from water flow in a natural open channel. The GFR‐TENG provides a novel solution method for harvesting low‐velocity water flow energy.
Development of a novel Cu (I) π‐complexation adsorbent for ultra‐deep desulfurization from a carbon dioxide stream
Authors: Ju Huating , Zhang Yongchun , Zhang Jikai , Yu Ziqi , Zhang Yige , Zhang Xiongfu , Guo Xinwen , Liu Jiaxu , Mao Qing , Liu Qi , Zhao Yiming , Qi Tianqinji , Jiang Xiao , Guo Zhen , Chen Shaoyun
Published: January 2025

Desulfurization technology is rather difficult and urgently needed for carbon dioxide (CO2) utilization in industry. A new Cu(I)‐based adsorbent was synthesized and examined for the capacity of removing carbonyl sulfide (COS) from a CO2 stream in an effort to solve the competitive adsorption between CO2 and COS and to seek opportunity to advance adsorption capacity. A wide range of characterization techniques were used to investigate the physicochemical properties of the synthesized Cu(I) adsorbent featuring π‐complexation and their correlations with the adsorption performance. Meanwhile, the first principal calculation software CP2K was used to develop an understanding of the adsorption mechanism, which can offer useful guidance for the adsorbent regeneration. The synthesized Cu(I) adsorbent, prepared by using copper citrate and citric acid on the ZSM‐5 (SiO2/Al2O3 = 25) carrier, outperformed other adsorbents with varying formulations and carriers in adsorption capacities. Through optimization of the preparation and adsorption conditions for various adsorbents, the breakthrough adsorption capacity (Qb) for COS was further enhanced from 2.19 mg/g to 15.36 mg/g. The formed stable π‐complex bonds between COS and Cu(I), as confirmed by density functional theory calculations, were verified by the significant improvement in the adsorption capacity after regeneration at 600°C. The above advantages render the novel synthesized Cu(I) adsorbent a promising candidate featuring cost‐effectiveness, high efficacy and good regenerability for desulfurization from a CO2 stream.
Porphyrin‐Based Metal‐Organic Framework Photocatalysts: Structure, Mechanism and Applications
Authors: Zhang Xiansheng , Liu Zhifeng , Shao Binbin , Liang Qinghua , Wu Ting , Pan Yuan , He Qingyun , He Miao , Ge Lin , Huang Jian
Published: January 2025

In recent years, porphyrins have been frequently reported as photocatalysts due to their fascinating photochemical properties. However, porphyrins have the same shortcomings as other homogeneous photocatalysts, such as poor stability and difficulty in recovering. To solve this problem, it is a good strategy to form a porphyrin‐based metal‐organic framework (PMOF) by modifying porphyrin functional groups and adding metals as nodes to connect and control the arrangement of porphyrins. The metal nodes control the rigidity and connectivity of the porphyrin modules to order them in the MOF, which improves the stability of the porphyrins, avoids porphyrin aggregation and folding, and increases the active sites for photocatalytic reactions. This review summarized the research progress of PMOF photocatalysts in the last ten years and analyzed the effects of the spatial structure, porphyrin ligands, porphyrin central metals, and metal nodes of PMOF on the photocatalytic performance. The applications of PMOF‐based photocatalysts in H2 production, CO2 reduction, pollutant degradation, and sterilization are reviewed. In addition, the mechanism of these processes is described in detail. Finally, some suggestions on the development of PMOF photocatalysts are put forward.
Pharmacokinetics and Bioavailability Comparison of Two Dosage Forms of a Pyridylimidazolidinone Compound Using High‐Performance Liquid Chromatography–Tandem Mass Spectrometry
Authors: Zhang Yupu , Lvha Ayi , Cai Jingzhu , Zhang Haiqiang
Published: January 2025

TJAB‐1099 is a pyridylimidazolidinone compound, which specifically inhibits human enterovirus (HEV71) inhibitor. However, the poor water solubility limits its oral bioavailability. In the present study, an oral solution and dispersible tablet of TJAB‐1099 were applied to improve the oral bioavailability for the purpose of pharmacokinetics evaluation. A rapid and sensitive high‐performance liquid chromatography–tandem mass spectrometry (HPLC‐MS/MS) quantification method for determination of TJAB‐1099 in rat plasma was developed and validated. The pharmacokinetic parameters were determined following oral administration of 25 mg/kg oral solution or dispersible tablet of TJAB‐1099 to rats. These analyses revealed that the Cmax of TJAB‐1099 oral administration and dispersible tablet can reach 119 ± 37 ng/mL and 111 ± 20 ng/mL, the Tmax is 1.10 ± 0.22 h and 7.20 ± 1.79 h, and the AUC0‐t is 327 ± 107 ng/mL and 1063 ± 289 ng/mL, respectively. The relative bioavailability of the dispersible tablets to an oral solution can reach 280% ± 76%. The results suggest that the TJAB‐1099 could be exposed in the circulation system after oral administration of both dispersible tablet and oral solution, and dispersible tablet shows higher bioavailability.
An Assay to Quantify Methylphenidate and Atomoxetine in Pharmaceutical Preparations by Micellar Liquid Chromatography
Authors: García‐Ferrer Daniel , Peris‐Vicente Juan , Bose Devasish , Durgbanshi Abhilasha , Carda‐Broch Samuel
Published: January 2025

We developed a practical and economic method based on micellar liquid chromatography for the quantification of atomoxetine and methylphenidate, two central nervous system stimulants used to treat attention deficit hyperactivity disorder, in solid dosage forms. Samples were solved in mobile phase and directly injected, after filtration. Both drugs were resolved from matrix compounds using a carbon‐18 column and a mobile phase consisting in a solution of 0.10 mol/L sodium dodecyl sulfate—6% 1‐pentanol, phosphate‐buffered to pH 7, running at 1 mL/min under isocratic mode. Detection was by absorbance at 210 nm. The effect of the surfactant and the organic modifier on the elution strength of the mobile phase was established for theoretical purposes and to expedite the optimization step, using a chemometric approach. The procedure was successfully validated by the guidelines of the International Council of Harmonization in terms of selectivity, linearity (determination coefficient > 0.995), calibration range (1–10 mg/L), trueness (99.6%–102.8%), precision (< 2.8%), and robustness, and it was applied to measure the amount of drugs in commercial presentations. The method exhibited adequate analytical performances, used a low amount of harmful and pollutant reagents, required available laboratory material, and displayed an adequate sample throughput; thus, it was useful for routine analysis.
Science teachers' views on student competences in education for sustainable development
Authors: Stouthart Tuba , Bayram Dury , van der Veen Jan
Published: January 2025

In this study, Q methodology was used to identify 16 secondary school physics, chemistry, and biology teachers' views on competences in education for sustainable development (ESD). Our data collection instrument was grounded in the GreenComp competence framework developed by the European Commission. We captured three different viewpoints through by‐person factor analysis. The largest group, with nine science teachers, prioritized promoting evidence‐based instruction while avoiding the political, ethical, or value‐laden dilemmas inherent in sustainability issues. While they advocated addressing critical thinking and system thinking, their reasons for avoiding the dilemmas varied. Some teachers feared that addressing such dilemmas might lead to preaching their own values to students, while others felt unprepared or believed that science should remain objective and value‐free. The second largest group, with four science teachers, emphasize promoting nature and its well‐being above all other competences. Unlike the dominant group, this group of science teachers held themselves responsible for encouraging students to care for nature and to change their attitudes to behave more sustainably. The third group of teachers stood out by advocating fostering collective action in science education. While all teachers agreed on the importance of promoting foundational scientific knowledge, they also agreed on excluding politics from science education. This stance was influenced by internal factors, such as their perception of science as empirical, their perceived role as transmitters of scientific knowledge, and a lack of expertise. In total, 12 out of the 16 teachers who participated in our study suggested that subjects such as history are more suitable for addressing certain ESD competences. Additionally, external factors, such as the role of parents and assessments, were cited as potential reasons to dismiss certain ESD competences in science education.
Priority actions for Fusarium head blight resistance in durum wheat: Insights from the wheat initiative
Authors: Viviani Ambra , Haile Jemanesh K. , Fernando W. G. Dilantha , Ceoloni Carla , Kuzmanović Ljiljana , Lhamo Dhondup , Gu Yong‐Qiang , Xu Steven S. , Cai Xiwen , Buerstmayr Hermann , Elias Elias M. , Confortini Alessia , Bozzoli Matteo , Brar Gurcharn Singh , Ruan Yuefeng , Berraies Samia , Hamada Walid , Oufensou Safa , Jayawardana Malini , Walkowiak Sean , Bourras Salim , Dayarathne Monika , Isidro y Sánchez Julio , Doohan Fiona , Gadaleta Agata , Marcotuli Ilaria , He Xinyao , Singh Pawan K. , Dreisigacker Susanne , Ammar Karim , Klymiuk Valentyna , Pozniak Curtis J. , Tuberosa Roberto , Maccaferri Marco , Steiner Barbara , Mastrangelo Anna Maria , Cattivelli Luigi
Published: January 2025

Fusarium head blight (FHB), mainly caused by Fusarium graminearum and Fusarium culmorum, is a major wheat disease. Significant efforts have been made to improve resistance to FHB in bread wheat (Triticum aestivum), but more work is needed for durum wheat (Triticum turgidum spp. durum). Bread wheat has ample genetic variation for resistance breeding, which can be readily exploited, while durum wheat is characterized by higher disease susceptibility and fewer valuable resistance sources. The Wheat Initiative – Expert Working Group on Durum Wheat Genomics and Breeding has promoted a scientific discussion to define the key actions that should be prioritized for achieving resistance in durum wheat comparable to that found in bread wheat. Here, a detailed state of the art and novel tools to improve FHB resistance in durum are presented, together with a perspective on the next steps forward. A meta‐analysis grouping all quantitative trait loci (QTL) associated with FHB resistance in both bread and durum wheat has been conducted to identify hotspot regions that do not overlap with Rht alleles, which are known to negatively correlate with FHB resistance. A detailed list of QTL related to FHB resistance and deoxynivalenol contamination and durum lines carrying different sources of FHB resistance are provided as a strategic resource. QTL, closely linked markers and durum wheat lines carrying the useful alleles, can be selected to design an effective breeding program. Finally, we highlight the priority actions that should be implemented to achieve satisfactory resistance to FHB in durum wheat.
Dynamics of dRGT ghost-free massive gravity in spherical symmetry
Authors: Albertini Emma , Kożuszek Jan , Wiseman Toby
Published: January 2025

Abstract

We focus on dRGT massive gravity in spherical symmetry in the limit of small graviton mass. Firstly we examine the minimal model. This does not exhibit a Vainshtein mechanism in spherical symmetry, but one may still ask what happens for spherical dynamics. We show that there are no regular time-dependent spherically symmetric solutions unless the matter has sufficiently large pressure. For matter that does not satisfy this, such as non-relativistic matter, any Cauchy slice of such a solution must necessarily have a point where the metric becomes singular. Only a weak assumption on the asymptotics is made. We then consider the next-to-minimal model. This has been argued to have a good Vainshtein mechanism in spherical symmetry, and hence be phenomenologically viable, provided the relative sign of the minimal and next-to-minimal mass terms is the same, and we restrict attention to this case. We find that regular behaviour requires the matter at the origin of symmetry to have positive pressure — in particular a massive scalar field fails to satisfy this condition. Furthermore it restricts non-relativistic matter so that the pressure is bounded from below in terms of the density and graviton mass in a manner that is at odds with a reasonable phenomenology. This suggests that realistic phenomenology will either require a resolution of singularities, or will require dynamics beyond the non-generic setting of spherical symmetry.
Im falschen Körper geboren?
Authors: Winkler-Crepaz Katharina
Published: January 2025

Hintergrund

Geschlechtsinkongruenz beschreibt die Diskrepanz zwischen dem bei Geburt zugewiesenen Geschlecht und der Geschlechtsidentität. Die geschlechtsangleichende Hormontherapie stellt einen essenziellen Bestandteil der medizinischen Betreuung von Personen mit Geschlechtsinkongruenz dar.

Fragestellung

Welche Medikamente werden zur geschlechtsangleichenden Hormontherapie empfohlen, und was sind ihre unerwünschten Nebenwirkungen und Langzeitrisiken?

Material und Methoden

In Beitrag werden die Handlungsempfehlungen der Endocrine Society, der World Professional Association for Transgender Health und der American Society for Reproductive Medicine sowie Studien zu den Langzeitrisiken der gegengeschlechtlichen Hormontherapie dargestellt.

Ergebnisse

Die geschlechtsangleichende Hormontherapie fördert die mentale Gesundheit und Lebensqualität von Personen mit Genderinkongruenz. Als Langzeitrisiko scheint eine erhöhte kardiovaskuläre Mortalität von Transfrauen im Vergleich zur Gesamtbevölkerung zu bestehen, welche bei Transmännern nicht beobachtet werden konnte.

Schlussfolgerung

Eine umfassende Aufklärung über Wirkungen, unerwünschte Nebenwirkungen und Risiken der geschlechtsangleichenden Hormontherapie sind essenzielle Grundlage für eine gemeinsame Therapieplanung, die die individuellen Wünsche und Ziele der Patientinnen und Patienten berücksichtigt.
Bridging gaps in age estimation: a cross-sectional comparative study of skeletal maturation using Fishman method and dental development using Nolla method among Egyptians
Authors: Lashin Heba Ibrahim , Sharif Asmaa Fady , Ghaly Mohamed Salah , El-Desouky Shaimaa Shaban , Elhawary Amira Elsayed
Published: January 2025

Estimating the chronological age of humans is a prevalent need in forensic practice. Comparing the accuracy of different age identification methods helps provide the most reliable method for a specific population. This study aimed to compare the accuracy of age assessments using skeletal maturation and dental mineralization in a sample of Egyptians and to assess if combining both methods yields more precise age prediction. A cross-sectional study included 176 Egyptian children and adolescents aged between 8 and 16 who underwent orthopantomograms and hand-wrist radiographs. All radiographs were scored independently for skeletal maturation using the Fishman method and dental development using the Nolla method. While Fishman and Nolla methods were valid and reliable age predictors with variable sex and age group accuracy in Egyptians, the Nolla method showed superior performance. The Nolla method slightly underestimated the chronological age, while the Fishman method slightly over-estimated it, showing median differences of -0.21 and 0.17, respectively. Correlating the estimated age using the Fishman and Nolla methods and the chronological age showed intraclass correlation coefficients of (0.854 and 0.660) and (0.973 and 0.977) for females and males, respectively (P < 0.001). The model adopting the Nolla score exhibited the highest R² (0.973 and 0.968) and the lowest Akaike information criteria (96 and 106) for females and males, respectively, which is comparable to the model adopting both Nolla scores and skeletal maturation indicators. Therefore, we recommend adopting the model incorporating only the Nolla scores for age estimation without the need for further hand and wrist radiography.
The ability of diaphragmatic excursion after extubation to predict the need for resumption of ventilatory support in critically ill surgical patients
Authors: Hasanin Ahmed , Helmy Mina A. , Aziz Ayman , Mostafa Maha , Alrahmany Mostafa , Elshal Mamdouh M. , Hamimy Walid , Lotfy Ahmed
Published: January 2025

Background

This study evaluated the ability of diaphragmatic excursion (DE), measured 2 h after extubation, to predict the need for resumption of ventilatory support within 48 h in surgical critically ill patients.

Methods

This prospective observational study included adult surgical critically ill patients intubated for > 24 h and extubated after a successful spontaneous breathing trial. Sonographic measurement of the DE was performed 2 h after extubation. Patients were followed up for 48 h after extubation and were divided into reintubation group and successful weaning group. The primary outcome was DE’s ability to predict the need for resumption of ventilatory support using the area under receiver characteristic curve (AUC) analysis.

Results

Data from 70 patients were analyzed and 25/70 (36%) patients needed reintubation. DE was lower in the reintubation group than the successful weaning group. The AUC (95% confidence interval) for the ability of DE to predict the need for resumption of ventilatory support was 0.98(0.92–1.00) and 0.97(0.89–1.00) for the right and left side, respectively. At cutoff values of 20.8 and 19.8 mm, the right and left DE had positive predictive values of 92% and 88% and negative predictive values of 96% and 93%, respectively.

Conclusion

Among surgical critically ill patients undergoing weaning from invasive mechanical ventilation, DE obtained 2h after extubation is an accurate predictor for the need for resumption of ventilatory support. Diaphragmatic excursion < 20–21 mm could predict the need for resumption of ventilatory support with a positive predictive value of 88–92% and negative predictive value of 93–96%.
Stressbewältigung zwischen Mykotoxinen und Serotonin
Authors: Aigner Martin , Höflich Anna , Steiner-Hofbauer Verena , Michenthaler Paul , Schamann Alexandra , Sulyok Michael , Adam Gerhard , Krska Rudolf
Published: January 2025

Die Verbindungen zwischen Mykotoxinen, Serotonin und psychischen Erkrankungen, insbesondere Psychosen, und wie Umwelt- und Stoffwechselfaktoren zur Stressbewältigung beitragen, sollen in unserem Beitrag aufgezeigt werden. Zunächst wird auf die Organismus-Pilz-Interaktion eingegangen: Pilze interagieren mit anderen eukaryoten Organismen auf einem Spektrum von Parasitismus, Kommensalismus bis hin zum Mutualismus, was man als Symbiose bezeichnen könnte. Ihre Metaboliten können toxisch sein und das Serotoninsystem beeinflussen, welches eine wichtige Rolle in der menschlichen Homöostase, Immunabwehr und psychischen Gesundheit spielt. Eine möglicherweise zentrale Rolle kommt hier dem Tryptophanstoffwechsel zu: Tryptophan (Trp) ist eine essenzielle Aminosäure, die zu Serotonin und Melatonin umgewandelt wird, den Botenstoffen zentraler Transmittersysteme des Menschen.

Stress und Mykotoxine beeinflussen diesen Stoffwechselweg und können den Serotoninspiegel verändern, was wiederum das Risiko für Stimmungs- und Angststörungen erhöht. Chronischer Stress kann über Beeinträchtigung des Trp-Haushaltes zum Anfallen von neurotoxischen Abbauprodukten führen sowie die Verfügbarkeit von Serotonin reduzieren, was zu kognitiven Einschränkungen führen kann.

Enge Verbindungen von Mykotoxinen und Stresszuständen können auf verschiedenen Ebenen, von molekularer Interaktion bis zum Einfluss auf das soziale Verhalten des Wirtes, dargestellt werden: Mykotoxine wie Aflatoxine und Ochratoxine fördern oxidativen Stress und Entzündungen, was die kognitive Leistung beeinträchtigen und das Risiko für neurodegenerative Erkrankungen durch Blut-Hirn-Schrankenstörungen erhöhen könnte.

Am Beispiel der Ergotalkaloide werden, ausgehend vom historischen Ergotismus, Parallelen aufgezeigt: Ergotalkaloide, produziert durch den Mutterkornpilz, sind für ihre neurotoxische Wirkung bekannt und können Psychosen und Durchblutungsstörungen verursachen. Durch die heutigen Lebensmittelkontrollen werden die Belastungen mit Mykotoxinen möglichst gering gehalten. Dennoch kann es durch Interaktion von Lebensmittelzusätzen, wie Aspartam, zu toxischen Interaktionen mit Mykotoxinen kommen, wenn sie gemeinsam aufgenommen werden.

Die Prävention wird in der vorliegenden Literatur als wichtiger Faktor betont: Eine stressreduzierende Lebensweise, eine gesunde Ernährung und eine saubere Wohnumgebung seien essenziell, um die potenziell negativen Effekte von Mykotoxinen zu minimieren und psychische Stabilität zu fördern.
Effect of post-processing on the surface, optical, mechanical, and dimensional properties of 3D-printed orthodontic clear retainers
Authors: Neoh Siew Peng , Khantachawana Anak , Santiwong Peerapong , Chintavalakorn Rochaya , Srikhirin Toemsak
Published: January 2025

Objectives

To address the high surface roughness and poor optical properties of three-dimensional (3D) printed orthodontic clear retainers, an alternative post-processing protocol was investigated with the goal of achieving improved surface, optical, and mechanical properties while preserving dimensional accuracy.

Materials and methods

Samples were prepared from two biocompatible methacrylate-based 3D-printing resins (Formlabs Dental LT Clear V2, NextDent OrthoFlex) and one thermoplastic material (Duran). For the 3D-printed resins, one group was post-processed by rinsing in isopropyl alcohol, while another group was centrifuged before post-curing in glycerine. Three different testing conditions were used: dry, wet (24-h water immersion), and aged (thermocycling for 10,000 cycles). Surface characteristics were evaluated qualitatively and quantitatively. Optical properties were assessed for transparency and colour stability, while mechanical properties were elicited from tensile and microhardness tests. Water sorption and solubility were calculated. Samples mounted on a dental model were scanned by micro-computed tomography to measure thickness and gap width.

Results

3D-printed samples post-processed by centrifugation showed significantly decreased surface roughness and improved visible light transmission, colour stability, tensile strength, and hardness. The centrifuged samples showed significantly increased thickness, while designing an offset equal to this thickness improved the adaptation.

Conclusions

Post-processing by centrifugation produces surface coating that enhances the surface and optical properties of the 3D-printed orthodontic retainers, while curing in an oxygen-free environment improves their mechanical properties. Design modifications may be necessary for this protocol to ensure proper adaptation to the dentition.

Clinical relevance

Proper design and post-processing protocols are necessary to achieve the desired properties of orthodontic clear retainers.