bluuebunny/crossref_metadata_2025 huggingface dataset:
Cell‐Active, Arginine‐Targeting Irreversible Covalent Inhibitors for Non‐Kinases and Kinases
Authors: Chen Peng , Wang Lu , Wang Xuan , Sun Jie , Miao Fengfei , Wang Zuqin , Yang Fang , Xiang Menghua , Gu Mingxi , Li Shengrong , Zhang Jianzhong , Yuan Peiyan , Lu Xiaoyun , Zhang Zhi‐Min , Gao Liqian , Yao Shao Q.
Published: January 2025

Targeted covalent inhibitors (TCIs) play an essential role in the fields of kinase research and drug discovery. TCI strategies to target more common amino acid side‐chains have yet to be demonstrated. Targeting other amino acids would also expand the pharmaceutical industry‘s toolbox for targeting other tough‐to‐drug proteins. We report herein a glyoxal‐based, arginine‐reactive strategy to generate potent and selective small‐molecule TCIs of Mcl‐1 (an important anti‐apoptotic protein) by selectively targeting the conserved arginine (R263) in the protein. We further validated the generality of this strategy by developing glyoxal‐based, irreversible covalent inhibitors of AURKA (a cancer‐related kinase) that showed exclusive reactivity with a solvent‐exposed arginine (R220) of this enzyme. We showed the resulting compounds were potent, selective and cell‐active, capable of covalently engaging endogenous AURKA in MV‐4–11 cells with long residence time. Finally, we showed the potential application of glyoxal‐based TCIs in targeting an acquired drug‐resistance mutant of ALK kinase (G1202R).
Diorganotin(IV) Complexes Containing Hydrazone Ligands as Prospective Bioactive Agents: Synthesis, Crystal Structure, Spectroscopic Analysis, Anticancer, and Antimicrobial Activity
Authors: Barwa Pinki , Asija Sonika , Deswal Yogesh , Kumar Deepak , Jindal Deepak Kumar , Ghosh Sandip , Basu Biswarup , Poonia Shikha , Ragshaniya Anju
Published: January 2025

The exploration of diorganotin(IV) compounds as potential inhibitors of cancer cell growth is gaining attention. Here, we have emphasized the potential of diorganotin derivatives as promising candidates for anticancer therapy. Thus, a series of Schiff base core tin(IV) complexes, including dimethyl, diethyl, dibutyl, and diphenyl derivatives, were synthesized and examined utilizing mass spectrometry, FT‐IR, NMR, and single crystal XRD. The acquired spectroscopy results disclosed that hydrazone ligands connected to tin atom in a tridentate fashion via phenolic O, imine N, and enolic O donor atoms and formed a pentacoordinated environment, which was further validated by X‐ray crystallographic diffraction study of compound 9. Single crystal X‐ray examination of compound 9 demonstrated that the Sn atom is arranged in a distorted five‐coordinated square pyramidal geometry. The antimicrobial potential of all prepared compounds was examined against four bacterial and two fungal strains, and complexes 7, 11, and 15 having MIC values between 0.0043 and 0.0050 μmol/mL exhibit better effectiveness against Escherichia coli and Candida albicans. Further, synthesized compounds were examined for in vitro anticancer efficacy against MCF‐7 and A549 cell lines and demonstrated substantial activity with standard Doxorubicin. Compounds 3 and 5, being the most active, were subsequently evaluated against normal cell line HEK 293T.
Virus Filtration Development for Adeno‐Associated Virus‐Based Gene Therapy Products
Authors: Namila FNU , Zhou Tianyi , Wang Lu , Jin Mi
Published: January 2025

Adeno‐associated virus (AAV) vectors have become a leading platform for gene delivery. A major portion of gene therapy currently in clinical trials are AAV‐based for a wide range of diseases. A commonly used method for AAV production is by mammalian or insect cell culture, with or without added viruses to introduce needed genetic elements for AAV production. There are potential risks of virus contamination from the production cell line, process residuals, or adventitious contamination in the production of biotherapeutics, including AAV‐based gene therapy products; therefore, it is imperative to demonstrate that the drug substance manufacturing process has sufficient capability to clear process‐related or adventitious viruses. In the AAV‐based gene therapy manufacturing process, cell lysis, affinity chromatography, and ion exchange chromatography steps are often effective to inactivate or remove viruses. To increase the viral clearance robustness, virus filtration (VF) is increasingly recommended by regulatory agencies for gene therapy products as a dedicated viral clearance step in the downstream purification process. In the current study, two commercially available virus filters were evaluated in the context of AAV manufacturing. The filter throughput and process yield were assessed under different operational modes. Virus clearance performance was evaluated by spiking in Adenovirus type 5 (Adv‐5) and Simian virus 40 (SV‐40). The viral filters assessed in this study demonstrated manufacturable throughputs, acceptable process yields, and robust virus clearance capabilities for viruses greater than 40 nm.
Validated HPLC‐UV Method for the Quantification of a Novel BCr‐Abl 1 Inhibitor, Vodobatinib, in Rat Plasma: Application to a Pharmacokinetic Study
Authors: Kaddare Sandeep , Zakkula Ashok , Bestha Rama Murthi , Madipelli Keerthana , Kumar Rajnish , Biradar Yogesh Balaji , Veerla Niranjan , Dittakavi Sreekanth , Mullangi Ramesh
Published: January 2025

Vodobatinib is a Bcr‐Abl 1 inhibitor, currently entering into Phase 2 clinical trials as a potential drug to treat glioblastoma patients. In the present work, a validated high‐performance liquid chromatography (HPLC) detection method for the quantification of vodobatinib in rat plasma was established. Sample preparation involved liquid–liquid extraction method. The chromatographic separation of vodobatinib and the IS was accomplished on an XBridge C18 column using 10 mM ammonium acetate and acetonitrile in gradient condition. The flow‐rate and injection volume were 0.8 mL/min and 20 μL, respectively. The eluent was detected at 310 nm. Vodobatinib and the IS eluted at 7.5 and 5.9 min, respectively, with a total run time of 10 min. Validation tests were performed according to FDA requirements. The established method showed good linearity in the range of 50.5–6534 ng/mL. Interday and intraday coefficients of variations were < 5.11%. Stability studies, dilution integrity, and incurred sample reanalysis met the acceptance criteria. Subsequently, the validated HPLC method was used to study the disposition kinetics of vodobatinib in rats.
Clinical Outcomes According to the Extent of Atherosclerotic Disease in Female Patients Undergoing Transcatheter Aortic Valve Replacement: An Analysis From the WIN‐TAVI Registry
Authors: Bay Benjamin , Gitto Mauro , Sartori Samantha , Vogel Birgit , Tchetche Didier , Petronio Anna Sonia , Mehilli Julinda , Di Muro Francesca Maria , Lefevre Thierry , Presbitero Patrizia , Capranzano Piera , Oliva Angelo , Iadanza Alessandro , Leone Pier Pasquale , Sardella Gennaro , van Mieghem Nicolas M. , Kim Chan Joon , Meliga Emanuele , Feng Yihan , Dumonteil Nicolas , Fraccaro Chiara , Trabattoni Daniela , Mikhail Ghada , Ferrer‐Gracia Maria‐Cruz , Naber Christoph , Sharma Samin K. , Watanabe Yusuke , Morice Marie‐Claude , Dangas George D. , Chieffo Alaide , Mehran Roxana
Published: January 2025

Background

Limited data exist on the impact of polyvascular disease (PolyVD) on clinical outcomes in female patients undergoing transcatheter aortic valve replacement (TAVR). We therefore sought to investigate clinical outcomes in women with versus without PolyVD undergoing TAVR.

Methods

Female participants from the multicentre Women's International Transcatheter Aortic Valve Implantation (WIN‐TAVI) registry were categorized based on the presence or absence of PolyVD. The PolyVD population was defined as the presence of atherosclerotic disease affecting ≥ 2 arterial systems from coronary, cerebral, or lower limb peripheral vessels, whilst patients with either no atherosclerosis or atherosclerotic disease in one vascular system were included in the non‐PolyVD population. The primary endpoint was the Valve Academic Research Consortium‐2 consensus (VARC‐2) efficacy endpoint at 1 year, whilst secondary endpoints included VARC‐2 safety events, VARC‐2 major bleeding and major vascular complications. Cox regression analysis were computed adjusting for various cofounders.

Results

Among 996 participants, 543 (54.5%) had PolyVD, while 453 (45.5%) did not. Across the subgroups no differences in age was noted, whilst patients with PolyVD were more likely to have a history of hypercholesterolemia and a previous cardiac surgery. The incidence of the primary endpoint was higher in the PolyVD group (19.4%) compared to the non‐PolyVD group (13.3%, plog‐rank = 0.014), though the difference was attenuated after multivariable adjustments (p = 0.093). Of note, no statistically significant differences concerning incident VARC‐2 safety events, VARC‐2 major bleeding and major vascular complications were noted according to PolyVD status.

Conclusion

PolyVD is a common comorbidity and is associated with elevated rates of adverse clinical events, but no increase in safety events, vascular complications, or bleeding among women undergoing TAVR.
cHild ‐in‐mothEr Approach for DeliverING Renal Denervation System: The HEADING‐IN Technique
Authors: Viola Orazio , Verdoia Monica , Mitro Manuela , Rognoni Andrea
Published: January 2025

Renal denervation is an emerging strategy for the management of uncontrolled hypertension. However, real‐world experience is still modest, in particular for the management of complex anatomy, with available data being limited to the selected population of randomized clinical trials. We first describe the feasibility of delivering the renal denervation system to the target site with a child‐in‐mother technique, using a common coronary guiding extension, in a patient with severe tortuosity and double renal arteries.
Data Analysis Methods in Time‐Resolved Fluorescence Spectroscopy: A Tutorial Review
Authors: de Jong Flip , Martín Cristina , Hofkens Johan , Van der Auweraer Mark
Published: January 2025

Fluorescence spectroscopy and related techniques benefit from exceptional sensitivity and have become engrained in a variety of fields from biosciences to materials sciences. Measuring time‐domain fluorescence decays is nowadays a routine task in many laboratories across these different fields. Perhaps surprisingly, a correct data analysis of these fluorescence decay curves presents a formidable challenge and requires extensive insight in the problems associated with fitting this type of data. As a result, the reported analysis of these decays is usually limited to a non‐linear least squares fit of a sum of a few exponential terms to the data. This review aims to expose the intricate field of data analysis in time‐resolved fluorescence spectroscopy to a broader audience, from researchers interested in understanding the photophysics of their system to readers and reviewers trying to understand the merits of specific methods. Challenges associated with this type of kinetic experimental data are outlined and the clever analysis strategies devised by researchers across different disciplines are introduced and discussed in detail. A section on freely available scripts and software facilitating the analysis is included towards the end. We encourage the reader to try their hand at the worked examples.
Peptide‐Scaffolded Detergents for Membrane Protein Studies
Authors: Yang Meifang , Dai Yili , Zhou Fang , Zhou Xin , Qiu Yanli , Tan Yan , Zhao Suwen , Xue Dongxiang , Zhao Fei , Tao Houchao
Published: January 2025

Detergents are essential for preserving the structural integrity and functionality of membrane proteins (MPs) outside the biological membrane or in aqueous solution, and thus ensuring accurate biochemical and structural analyses. Here, we introduce peptide‐scaffolded detergents, a novel class of hybrid molecules formed by preassembling detergent monomers with peptides of varying lengths, mediated via Click chemistry. These detergents are characterized by scalable, straightforward synthesis and enhanced solubility. Among the variants, A4B2 emerged as the optimal detergent, demonstrating superior thermal stabilization across a range of G protein‐coupled receptors, including A2AAR, SMO and GLP‐1R. Additionally, A4B2 exhibits a low critical micelle concentration and small micelle size, together making it particularly effective for electron microscopy studies of A2AAR. This innovative design leverages the benefits of peptide‐based and traditional detergents, offering new insights for the development of advanced detergents in MP research.
Effect of Excitation Wavelength in Single‐Molecule Photochemistry of Terrylene
Authors: Mhanna Rana , Berger Julia , Jourdain Matthias , Muth Stephan , Kutta Roger Jan , Jung Gregor
Published: January 2025

The reaction of terrylene in p‐terphenyl with molecular oxygen is reinvestigated by TIRF‐microscopy with λexc=488 nm or λexc=561 nm and 488 nm. A similar range of fluorescent products is obtained under both experimental conditions with a reaction quantum yield Φr>10−7 for those molecules which undergo the photoreaction. The majority of these oxygen‐susceptible molecules reacts via an electronically relaxed, dark intermediate, presumably an endoperoxide, with a lifetime of ~20 s. From this time constant, an activation energy EA<0.8 eV is estimated for the transition from the intermediate to the final product, the diepoxide, which nicely agrees with values calculated for the terrylene‐derivative TDI. However, ~20 % of all reacting molecules at λexc=561 nm and even ~40 % at λexc=488 nm show an immediate change of the fluorescence colour within the time resolution of the experiment, bypassing any dark intermediate. Based on this experimentally observed impact of the excitation energy and the lack of relevant excited‐state absorption, we hypothesize that oxygen forms a complex with ground‐state terrylene which then undergoes a quasi‐unimolecular reaction in the excited‐state before vibrational relaxation takes place.
Research Progress on Stability of FAPbI3 Perovskite Solar Cells
Authors: Deng Wenxin , Wei Jianwei , Ma Zengwei , Feng Wenlin
Published: January 2025

The formamidinium lead iodide (FAPbI3) perovskite has emerged as a promising material for high‐efficiency photovoltaic applications. Although a power conversion efficiency of more than 26% has been achieved, stability issues have hindered its commercial application. In this study, the stability of FAPbI3 under adverse conditions such as humidity, oxygen, ultraviolet light, and temperature fluctuations is systematically reviewed. The known effective strategies for improving stability are discussed. Current studies have shown that technologies such as doping, halide alloying, additive manufacturing engineering, and interface modification have been identified as effective in mitigating phase transitions of FAPbI3 and enhancing environmental durability. Encapsulation technology further improves moisture and heat resistance. Compared with other stabilization strategies, doping and alloying can address the adverse effects of narrowing of the absorption edge. Interface engineering has an essential understanding of the stability mechanism, which will greatly improve the stability problem in the practical application of FAPbI3. This paper also looks forward to the future research directions and development trends.
Clinical Outcomes in a Large Sample of Youth and Adult Patients Receiving Virtual Evidence‐Based Treatment for ARFID: A Naturalistic Study
Authors: Hellner Megan , Cai Kelly , Freestone Dave , Baker Jessica H. , Menzel Jessie , Steinberg Dori M.
Published: January 2025

Objective

Treatment outcomes research for avoidant/restrictive food intake disorder (ARFID) has been limited to small, mixed‐age feasibility trials in face‐to‐face care settings. This study aims to examine clinical characteristics and treatment outcomes in a large sample of youth and adult patients receiving virtual multidisciplinary team treatment for ARFID.

Method

The sample included N = 783 patients (532 youth and 251 adults) diagnosed with ARFID. Patients received cognitive behavioral therapy for ARFID (CBT‐AR) or family‐based treatment for ARFID (FBT‐ARFID) enhanced by specialized support from a multidisciplinary team. Patients (or caregivers) completed a number of measures assessing ARFID and mood‐related symptoms upon admission and throughout treatment.

Results

Youth patients on weight restoration (56%) started treatment around 85% [84%, 86%] of their target weight, and increased to 94% [93%, 96%] by week 35. Adults on weight restoration (47%) started at 85% [84%, 87%] and reached 92% [90%, 94%]. Scores improved for both groups on all PARDI‐AR‐Q subscales: (sensory sensitivity: b = −0.25 [−0.33, −0.16]; lack of interest: b = −0.08 [−0.16, −0.00]; fear of aversive consequences: b = −0.12 [−0.19, −0.04]). Both youth and adults demonstrated reliable improvements in willingness to try new foods (b = −0.64 [−0.89, −0.37]), anxiety symptoms (b = −0.71 [−0.95, −0.48]), and depression symptoms (b = −0.86 [−1.07, −0.64]).

Discussion

Youth and adult patients demonstrated reliable symptom improvements over the course of treatment across all measures, offering preliminary support for the effectiveness of FBT‐ARFID and CBT‐AR delivered virtually by a multidisciplinary care team.
Registries on transcatheter edge‐to‐edge repair in heart failure: Current evidence and future perspectives
Authors: Savarese Gianluigi , Basile Christian , Adamo Marianna , Anker Stefan D. , Bayes‐Genis Antoni , Böhm Michael , Donal Erwan , Filippatos Gerasimos S. , Maisano Francesco , Ponikowski Piotr , Rosano Giuseppe M.C. , von Bardeleben Ralph Stephan , Metra Marco , Butler Javed
Published: January 2025

Aims

Secondary mitral regurgitation (SMR) and tricuspid regurgitation (TR) are the most common valvular heart diseases in patients with heart failure (HF). Transcatheter edge‐to‐edge repair (TEER) devices designed for treating MR and TR have been successfully tested in randomized controlled trials, but methodological issues have often challenged their interpretation. This manuscript aimed to provide an overview of TEER registries on SMR and TR in HF, highlighting their key features, describing clinical characteristics and outcomes of patients receiving these devices, and exploring the available data limitations.

Methods and results

PubMed, Web of Science, and EMBASE were searched for registries reporting on TEER in SMR or TR. Registries were excluded if single‐centre and with <100 patients. Twenty‐six registries (46% prospective, 12% ongoing), including a total cohort of 18 925 patients, were retrieved for TEER in SMR, and six registries (50% retrospective, 33% ongoing) reported on the use of TEER for TR in a total cohort of 1412 patients. Limited geographical representativity outside North America and Europe, high number of missing values, and inconsistency in data reporting were the main existing evidence limitations.

Conclusion

Registries on TEER represent a key data source in a setting where it is difficult to conduct randomized controlled trials. However, limitations in design, patient characterization, and outcomes reporting restrain their use. A novel conceptual framework for future prospective TEER registries, as proposed in this document, might inform current practice, address relevant clinical questions and future trial design.
Direct Inhibitory Effect of HTLV‐1‐Infected T Cells on the Production of Anti‐Ro/SS‐A Antibody by B Cells from Patients with Sjögren's Syndrome
Authors: Nagata Kinya , Tsukamoto Masako , Nagasawa Yosuke , Kitamura Noboru , Nakamura Hideki
Published: January 2025

The reasons for the low frequency of anti‐Ro/SS‐A antibody in patients with HTLV‐1‐associated myelopathy complicated with Sjögren's syndrome (SS) are unclear. In this study, we investigated whether HTLV‐1‐infected T cells can act directly on B cells and suppress B cells' production of antibodies, including anti‐Ro/SS‐A antibody. For this purpose, we established an in vitro T‐cell‐free B‐cell antibody production system. The productions of total IgG and anti‐cytomegalovirus IgG in B cells from healthy subjects and those of total IgG and anti‐Ro/SS‐A IgG in B cells from SS patients were significantly suppressed by the addition of HTLV‐1‐positive T‐cell lines (MT‐2 and HCT‐5). Our analysis of co‐cultured B cells identified no sign of HTLV‐1 infection and revealed that MT‐2 and HCT‐5 cells act on the early stages of B‐cell differentiation, not the activation stage. MT‐2 and HCT‐5 cells constitutively expressed CD70, ICAM‐1, LAP (TGF‐β), and PD‐L1/2, but blocking monoclonal antibodies to these molecules or PD‐L1/2 receptor PD‐1 had no significant canceling effect on B‐cell IgG production regarding their suppressive activity. Importantly, autologous CD4+CD25+CD127low Treg cells had no inhibitory effect on B‐cell IgG production. These results demonstrate that HTLV‐1‐positive T cells can directly suppress B‐cell antibody production through mechanisms that differ from Treg functions.
Integrating GIS Mapping and Artificial Neural Networks for Assessing Biomass Energy Potential From Agricultural Residues in Iran
Authors: Naeimi Ehsan Fartash , Gürdil Gürkan Alp Kağan , Demirel Bahadır
Published: January 2025

Agricultural residues (such as straw and other nonmarketable plant waste) in Iran exceed 200 million tons annually, which can supply 10%–15% of the country's energy needs. The objective of this study was to investigate and estimate the biomass energy potential derived from crop residues in Iran using GIS mapping and artificial neural networks. The energy potential of the residues was determined by considering their heating value and the quantity of available residues. The available agricultural residues for the 10 crops studied were estimated to be 9,688,450 tons. Sugarcane and sugar beet contributed the largest shares, representing 32.33% and 25.72%, respectively. The largest quantities of sugarcane and wheat residues were found in Khuzestan province, amounting to 3,131,620 and 124,660 tons, respectively. For sugar beet, the maximum amount of residues was recorded in West Azerbaijan, with 719,140 tons. The total heating values for the residues were calculated to be 56,376 TJ for sugarcane, 18,212.36 TJ for wheat, and 42,887.32 TJ for sugar beet. The artificial neural network was able to predict the energy potential of biomass from the main products with a correlation coefficient of over 0.99 and the lowest error rate. GIS maps proved highly effective for rapidly analyzing the status of plant residues and their energy potential in each province. The findings suggest that agricultural residues in Iran have significant potential as a sustainable biomass energy source.
A Practical Approach to Time‐Varying Inflow Simulation and the Influence on Intermittent Airflow Within Urban Street Canyons
Authors: Zhang Yunwei , Zhao Lushuang , Jing Lizhi , Miao Haiyan , Su Junwei , Gu Zhaolin
Published: January 2025

Based on large eddy simulations, intermittent airflow within an urban street canyon was simulated. The practice of time‐varying inflow conditions (TVIC) required a time series of inflow wind velocity, which could be collected on a varying curve of the moving averaged measured data. The influences of the time interval of the wind series and the varying trend (or molded line) between adjacent data on airflow within the street canyon were analyzed. The results showed that TVIC would result in larger average wind velocity and turbulence intensity than that simulated under steady inflow conditions (SIC). The simulated total vertical air exchanges under TVIC would be one order of magnitude higher than that simulated under SIC. Airflow characteristics within street canyons were influenced by the varying trends and the time intervals of the time‐series inflow wind. Average vertical wind velocity and turbulent kinetic energy (TKE) simulated under the stepped varying trend was higher than that under the jagged varying trend. The shorter the time interval, the larger the TKE within the street canyon. Vertical air exchanges induced by turbulence (ACH′) at the roof level simulated under the stepped molded lines were twice that of the jagged molded line. Under the time interval of 30 s, the ACH′ was significantly increased, which was 2.558 times that simulated with a time interval of 1 min. Thus, the suggested practical approach for time‐varying inflow simulations is to obtain time‐series wind data with a time interval of 1 min or less, and the linearly molded line would be critical; for larger time intervals, reasonable molded lines would be required.
Experimental Study on the Performance of Gradient Pores Density Metal Foam in a Rectangular Channel
Authors: Hasan Mohammed H. , Saihood Raed G.
Published: January 2025

Various approaches are employed to enhance the heat transfer coefficient and Nusselt number inside the channels. One of the techniques employed for these enhancements is the utilization of porous media. In the current article, a practical investigation of forced convection heat transfer in a rectangular cross‐section channel (0.05 × 0.1 m2) with 0.25 m length is conducted. A heater with a heat flux range (450–6000 W/m2) is imposed under a copper plate, and the other sides are covered by insulation layers. The air is considered as a working fluid with Re (600–2100). The test section is fully filled with gradient pores per inch (PPI) metal foam by taking three different pores densities PPI (10, 20, and 40 PPI) and studying its effects on the temperature of copper plate, the local heat transfer coefficient, average Nusselt number, pressure drop, friction factor, and the performance factor. Three cases were studied inside the channel: one empty case and two with gradient pore density case A (40–20–10) PPI and case B (10–20–40) PPI. The results showed that inserting the metal foam inside the channel improves h and Nu. Case B appeared the best of this improvement in h and Nu by 12% and 25%, respectively, compared with that in case A. While the friction factor was the same for two cases A and B. So, the performance factor in case B showed an improvement of around 25% and 50% in comparison to case A and the empty case, respectively.
Trametes cingulata: A white rot fungus in decolorization of azo dye reactive red 239
Authors: de Souza Daniel Juliana Feijó , Cardoso Fausto Rodrigues , Angilelli Karina B , Gomes Carolina Andrella , Abreu Lucas Magalhães , de Carvalho Junior Orlando
Published: January 2025

Background

Azo dyes in textile effluents represent a particular health concern because they include azo groups (NN), which are reactive with DNA nucleic acids. The enzymes produced by white rot fungi can biodegrade a broad range of environmental contaminants. This work addresses this by concentrating on novel and effective optimal conditions for Trametes cingulata to produce oxidative enzymes and the capacity to decolorize the azo dye reactive red 239.

Results

A multifactorial experimental design optimized enzymatic activity and azo dye decolorization. Concentrations of 2.5 g L−1 of copper sulfate (CS) and 3.0 g L−1 of yeast extract (YS) for 16 days produced 100% decolorization, with 7.72 U mL−1 of laccase (Lac) and 0.013 U mL−1 of lignin peroxidase (Lip). These were found to be the ideal conditions for the decolorization process. The maximal Lac activity was 12.22 U mL−1 with 2.5 g L−1 CS, 25.0 g L−1 YS and 16 days, in addition to 0.14 U mL−1 Lip activity and 59% decolorization. It was possible to ascertain that the dye's functional groups had been adsorbed to the fungal mycelium by employing Fourier transform infrared spectroscopy. Images obtained from scanning electron microscopy analyses enable the distinction of certain features that signify the adsorption process. Additionally, under ideal decolorization conditions, a 55% chemical oxygen demand decrease was noted.

Conclusion

The findings reported show that T. cingulata may decolorize effluents containing azo dyes using two distinct processes: fungal mycelium biosorption and enzymatic degradation. © 2025 Society of Chemical Industry (SCI).
Comprehensive Quality Evaluation of Traditional Chinese Medicine Guanxinjing Capsule Based on Fingerprint and Multicomponent Simultaneous Quantitative Method
Authors: Zhang Guanhua , Liu Xin , Liang Hao , Wang Xu , Wang Qi , Wang Qiao
Published: January 2025

A novel dual‐wavelength ultrahigh performance liquid chromatography (UHPLC) fingerprint was established, 56 common peaks were confirmed and attributed to the source of the medicinal materials, and 13 chromatographic peaks of them were identified by UHPLC quadrupole time‐of‐flight (Q‐TOF)‐MS/MS and UHPLC‐UV method. Furthermore, a simple and sensitive HPLC‐quadrupole trap (Q‐TRAP)‐MS/MS was developed for the simultaneous determination of 16 active components with electrospray ionization (ESI) source switching between positive and negative modes in a single run. The above two methods were successfully applied for the quality evaluation of Guanxinjing capsule (GXJC). Finally, statistical analysis including principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal partial least squares discriminate analysis (OPLS‐DA) were applied, and 13 variables with great contribution to different groups of samples were screened. This study not only provides a rapid, accurate, and comprehensive qualitative and quantitative method for quality evaluation of GXJC but it also provides a reference workflow for the other traditional Chinese medicines.
Long‐Term Auditory and Speech Outcomes of Cochlear Implantation in Children with IP‐I Malformation
Authors: Liu Xianqi , Chao Xiuhua , Wang Ruijie , Luo Jianfen , Wang Min , Li JinMing , Hu Fangxia , Xu Lei
Published: January 2025

Objectives

This study aimed to investigate the long‐term auditory and speech outcomes in children with Incomplete Partition Type I (IP‐I) who underwent cochlear implantation (CI) and compared their progress to implanted children with normal cochlea.

Methods

This study tracked 17 children with IP‐Ι for an average of 3.5 years post‐implantation. A control group with normal cochlea was also tracked. Regular assessments, including aided hearing threshold, categories of auditory performance (CAP), and speech intelligibility rating (SIR), were conducted every 6 months for the first 2 years post‐CI and annually thereafter. Speech recognition was tested for children who could cooperate with it.

Results

The aided hearing threshold of IP‐I children had improved significantly from 90.51 dB HL before CI to 47.02 dB HL in the sixth‐month post‐CI, and it had further improved to 26.27 dB HL after more than 48 months post‐CI. Meanwhile, their median CAP scores had improved from 0 to 6.5 and median SIR scores from 1 to 4 over the same period. There was no significant difference in the improvement of mean aided hearing thresholds over time between the IP‐I and control groups postoperation. However, IP‐I children showed slower progress in CAP and SIR scores and had lower recognition rates for monosyllabic and disyllabic words compared with the control group.

Conclusion

Children with IP‐Ι showed continuous but slower improvement in auditory and speech capabilities post‐CI compared to those with normal cochlea. Their speech recognition ability was also inferior.

Level of Evidence

III Laryngoscope, 2025
Estimating latent heat flux of subtropical forests using machine learning algorithms
Authors: Sahu Harekrushna , Deb Burman Pramit Kumar , Gnanamoorthy Palingamoorthy , Song Qinghai , Zhang Yiping , Wang Huimin , Chen Yaoliang , Wang Shusen
Published: January 2025

Latent heat flux (LE) is a measure of the water exchange between Earth's surface and atmosphere, also known as evapotranspiration. It is a fundamental component in the Earth's energy budget and hydrological cycle and plays an important role in regulating the weather and climate. Moderate Resolution Imaging Spectroradiometer (MODIS) offers a gap‐filled biophysical product for LE at 8‐day temporal and 500‐meter spatial resolutions. Nonetheless, validation against the in situ eddy covariance measurement reveals significant errors in MODIS LE estimation. Our study integrates ground‐measured, reanalysis and satellite data to predict LE by leveraging the advantage of the data‐driven method. The study draws upon flux data derived from the AsiaFlux database, alongside reanalysis datasets from the Indian Monsoon Data Assimilation and Analysis (IMDAA) and the European Centre for Medium‐Range Weather Forecasts (ERA5) products, as well as biophysical measurements from the MODIS satellite. An analysis of the annual water budget, based on ERA5 precipitation data, highlights net positive water balances across the study sites. By harnessing diverse datasets, we employ various machine learning regression algorithms. We find the support vector regression superior to linear, lasso, random forest, adaptive boosting and gradient boosting algorithms. This study highlights the robustness of support vector regression and accentuates the impact of climatic and environmental conditions on model performance, ultimately contributing to more precise predictions of latent heat flux.
Local land‐use decisions drive losses in river biological integrity to 2099: Using machine learning to disentangle interacting drivers of ecological change in policy forecasts
Authors: Bourne Kimberly , Calder Ryan S. D. , Zuidema Shan , Chen Celia Y. , Borsuk Mark E.
Published: January 2025

Climate and land‐use/land‐cover (LULC) change each threaten the health of rivers. Rising temperatures, changes in rainfall and runoff, and other perturbations, will all impact rivers' physical, biological, and chemical characteristics over the next century. While scientists and policymakers have increasing access to climate and LULC forecasts, the implications of each for outcomes of interest have been difficult to quantify. This is partially because climate and LULC perturb ecological outcomes via incompletely understood site‐specific, interacting, and nonlinear mechanisms that are not well suited to analysis using classical statistical methods. This creates uncertainties over the benefits of local‐level interventions such as green infrastructure investments and urban densification, and limits how forecasts can be used to inform decision‐making. Here, we demonstrate how machine learning can be used to quantify the relative contributions of LULC and climate drivers to impacts on riverine health as measured by taxonomic richness of the macroinvertebrate orders Ephemeroptera, Plecoptera, and Trichoptera (EPT). We develop a cross‐validated Random Forest (RF) model to link EPT taxa richness to meteorological, water quality, hydrologic, and LULC variables in watersheds in New Hampshire and Vermont, USA. Prospective climate and LULC scenarios are used to generate predictions of these variables and of EPT taxa richness trends through the year 2099. The model structure is mechanistically interpretable and performs well on test data (R2 ~ 0.4). Impacts on EPT taxa richness are driven by local LULC policy such as increased suburbanization. Future trends are likely to be exacerbated by climate change, although warming conditions suggest possible increases in springtime EPT taxa richness. Overall, this analysis highlights (1) the impact of local LULC decisions on riverine health in the context of a changing climate, and (2) the role machine learning methods can play in developing models that disentangle interacting physical mechanisms to advance decision support.
Design of Microwave Photonic Filter Using Zero‐Pole Placement Method With FBG Based Delay Lines
Authors: Ankita Rani , Sengupta Somnath
Published: January 2025

A novel technique for design of microwave photonic filter using fiber Bragg grating based delay lines with zero‐pole placement method has been proposed and demonstrated. The concept of linear phase based finite impulse response (FIR) filter has been utilized. The proposed work focuses on technique to compute the filter‐tap coefficients for general delay‐line based microwave photonic filter structures for a desired spectral response. The filter coefficients have been obtained as real and positive and treated as the reflectivities of the FBGs connected in cascade. The low‐pass and multi‐band pass microwave photonic filter have been realized for operation in 0.2–25 GHz microwave frequency range. The filter performance has been analyzed in terms of bandwidth, order, and size of the filter. The size of the core component of the filter or overall FBG‐based delay link is obtained as 1–10 cm. The filter has been simulated both theoretically and experimentally and good agreement is achieved. The proposed design technique can also be applied for infinite impulse response (IIR) filters and as well as all classes of filters. The compact sized filter can be used for photonic‐integrated circuits.
From statistics to deep learning: Using large language models in psychiatric research
Authors: Hua Yining , Beam Andrew , Chibnik Lori B. , Torous John
Published: January 2025

Background

Large Language Models (LLMs) hold promise in enhancing psychiatric research efficiency. However, concerns related to bias, computational demands, data privacy, and the reliability of LLM‐generated content pose challenges.

Gap

Existing studies primarily focus on the clinical applications of LLMs, with limited exploration of their potentials in broader psychiatric research.

Objective

This study adopts a narrative review format to assess the utility of LLMs in psychiatric research, beyond clinical settings, focusing on their effectiveness in literature review, study design, subject selection, statistical modeling, and academic writing.

Implication

This study provides a clearer understanding of how LLMs can be effectively integrated in the psychiatric research process, offering guidance on mitigating the associated risks and maximizing their potential benefits. While LLMs hold promise for advancing psychiatric research, careful oversight, rigorous validation, and adherence to ethical standards are crucial to mitigating risks such as bias, data privacy concerns, and reliability issues, thereby ensuring their effective and responsible use in improving psychiatric research.
Seismic facies analysis using chirp sub‐bottom profile data from large sandy‐bed rivers, lower São Francisco River, Northeast Brazil
Authors: Santos Landerlei Almeida , Latrubesse Edgardo Manuel , Zhou Feng
Published: January 2025

A chirp sub‐bottom profiler (SBP) system (shallow high‐resolution seismic) was used to characterize the internal architecture of submerged bedforms and fluvial bars of the lower São Francisco River, Northeast Brazil. From upstream to downstream, the area was subdivided into two geomorphic channel reaches: anabranching‐braided; and anabranching‐stable. The uppermost sedimentary layers of the riverbed were analysed. A processing flow (bandpass filtering, automatic gain control, time‐varying gain and stacking) to attenuate the effect of noise, equalize the gain and highlight the internal structures that were not clear in the primary recorded SBP section (envelope mode) was applied. Detailed seismic analysis and description of the SBP seismic profiles allow the interpretation of seven seismic facies. An idealized stage of development for each channel landform is based on the seismic characteristics of the sandy sets of the anabranching‐braided reach. In the anabranching‐stable islands reach, the bedforms have a low degree of preservation. Our result demonstrates that the SBP chirp data is a potential tool that allows the identification and definition of sedimentary facies in large sandy‐bed rivers.
Facile Synthesis of Oxazolidinones as Potential Antibacterial Agents
Authors: Els Secret P. , Govender Kimberleigh B. , Sokhela Mxolisi K. , Bhatt Nilay , Reddy Nakita , Kruger Hendrik G. , Arvidsson Per I. , Gunosewoyo Hendra , Govender Thavendran , Naicker Tricia
Published: January 2025

An efficient microwave‐assisted synthesis route for novel oxazolidinone analogues has been developed. The general synthesis of these compounds began with an L‐proline‐mediated three‐component Mannich reaction between commercially available 3‐fluoro‐4‐morpholinoaniline, aqueous formaldehyde and α‐hydroxyacetone. This was followed by a one‐step cyclisation to form the core structure of oxazolidinone antibiotics which was subsequently derivatized. The novel compounds were evaluated for their antibacterial activity against M. smegmatis. One of the novel oxazolidinone derivatives 18 a1 produced a MIC of 8 mg/L, comparable with the commercial Rifampicin. The methodology is a useful addition to the field since it can make highly sought‐after oxazolidinone derivatives, using cheaper, less harsh commercially available reagents, in a short time and one pot.
Computational Study on the Reaction Mechanism of 5‐Enolpyruvylshikimate‐3‐phosphate Synthase from Nicotiana Tabacum
Authors: Han Qingfang , Lin Beibei , Liu Ziwei , Li Mengsha , Luo Zhaopeng , Xie Xixian , Ma Lijuan , Su Hao , Sheng Xiang
Published: January 2025

5‐Enolpyruvylshikimate‐3‐phosphate synthase (EPSPS) catalyzes the conversion of 5‐enolpyruvate (PEP) and shikimic acid phosphate (S3P) to 5‐enolpyruvylshikimic acid‐3‐phosphate (EPSP), releasing inorganic phosphate. This reaction is the sixth step of the shikimate pathway, which is a metabolic pathway used by microorganisms and plants for the biosynthesis of aromatic amino acids and folates but not in mammals. In the present study, the detailed reaction mechanism of EPSPS from Nicotiana tabacum (NtEPSPS) is revealed by quantum chemical calculations with the cluster approach. The reaction is proposed to involve the formation of a carbocation intermediate, the formation of a tetrahedral intermediate, the C−O bond cleavage and the re‐formation of C=C bond. All four steps are concerted processes involving proton transfer events. The calculations suggest a step‐wise mechanism for the formation of the tetrahedral intermediate by the proton transfer from the hydroxyl group of S3P to Asp331 and the nucleophilic attack of hydroxyl group on the carbocation, which is consistent with the proposal in literature. The energy profile for the entire reaction is presented, showing that C−O bond cleavage of the tetrahedral intermediate, releasing phosphate, is the rate‐limiting step. The interaction between the Glu359 residue and the phosphate group is significant in stabilizing the phosphate.
Experiment and Molecular Dynamics Simulation Studies of 3,3′,4,4′‐Biphenyltetracarboxylic Dianhydride‐Based Transparent Polyimide Films Containing Ether and Sulfone Linkages in the Diamine Monomer
Authors: Ma Hansol , Jee Min Ho , Baik Doo Hyun
Published: January 2025

In this study, we report experimental observations and molecular dynamics (MD) simulation results for two transparent polyimide (PI) systems that use 3,3′,4,4′‐biphenyltetracarboxylic dianhydride (BPDA) as the dianhydride monomer and bis[4‐(4‐aminophenoxy)phenyl] sulfone (p‐BAPS) and bis[4‐(3‐aminophenoxy)phenyl] sulfone (m‐BAPS), which contain both ether (O) and sulfone (SO2) groups, as the diamine monomers. FT‐IR structural analysis clearly shows that the PI films used in this study were successfully synthesized and fabricated. In addition, the DSC and TGA analysis results clearly indicate that the PI film based on BPDA/p‐BAPS has a higher Tg and greater thermal stability than the PI film based on BPDA/m‐BAPS, which appears to be due to the structural differences in the benzene ring substitution of the diamine monomers on p‐BAPS and m‐BAPS. Additionally, the two PI films fabricated in this study exhibited relatively high transmittance, ranging from 85% to 87% at 500 nm. Finally, although small‐scale MD simulations were performed in this study, it was nonetheless confirmed that the overall motion of PI molecules and gases within the amorphous PI cell can be influenced by the structural characteristics of diamine monomers such as p‐BAPS and m‐BAPS.
High‐Dose Cyproterone Acetate and Intracranial Meningioma: Impact of the Risk Minimisation Measures Implemented in France in 2018–2019
Authors: Roland Noémie , Neumann Anke , Baricault Bérangère , Dayani Pauline , Duranteau Lise , Fontanel Sylvie , Yoldjian Isabelle , Froelich Sébastien , Zureik Mahmoud , Weill Alain
Published: January 2025

Purpose

To measure the impact of national regulatory actions implemented in France in August 2018 and June 2019 to reduce the risk of meningioma associated with the use of cyproterone acetate (CPA).

Methods

Using the French National Healthcare database, we calculated the monthly number of CPA users among cisgender women, men and transgender women in 2010–2021, the monthly proportion of users with cerebral imaging screening, and the annual rate of meningioma surgery associated with CPA use. CPA discontinuations and switches were analysed.

Results

Between 2018 and 2021, the number of individuals exposed to CPA fell by 85% (55 000 in August 2018 versus 7900 users of high‐dose CPA in December 2021), corresponding to two waves of decrease in both use and initiation. This drop was greater among cisgender women (88%) than men (69%) or transgender women (50%). Cerebral imaging screening increased from 11% in June 2018 to 70% in June 2021 for ciswomen (13%–51% for men, 9%–60% for transwomen). After CPA discontinuation, no massive shift to a single product was observed, but, instead, dispersion towards other hormonal therapies. The overall annual rate of meningioma surgery associated with CPA exposure spectacularly decreased between 2017 and 2021 (−93% for ciswomen and −86% for men).

Conclusion

In France, high‐dose CPA use sharply decreased after the implementation of national regulatory measures without a massive switch to other hormonal therapies. The increase in cerebral imaging screening did not result in an increase in meningioma surgery associated with CPA, but rather a massive drop of over 90%.
Edible Nanocoating of Dextran/Lipid and Curcumin for Enhanced Shelf Life of Fresh Produce
Authors: Kabdrakhmanova Sana , Augustine Robin , Sathian Aiswarya , Thomas Annu , Joseph Tomy Muringayil , Kalarikkal Nandakumar , Ibraeva Zhanar , Madiyar Beisebekov , Thomas Sabu , Hasan Anwarul , Joshy K. S.
Published: January 2025

The purpose of the present study was to develop a nano‐coating for fresh vegetables and fruits using a combination of curcumin, sesame oil, stearic acid, and dextran (CSSDNs). The anti‐bacterial and nontoxic nature of nanoparticles were tested against Gram‐positive bacteria (Staphylococcusaureus) and human fibroblast cells. Enhanced aqueous solubility of curcumin and its stability in the bloodstream were observed from the in vitro blood compatibility studies. The anti‐cancer activity of curcumin‐loaded nanoparticles was tested against SK‐BR3 cells, demonstrating excellent antitumor activity. These findings indicate that the CSSDNs system can be used as an edible coating with strong antibacterial properties and as an effective means of delivering curcumin, which has proven to be successful in treating or preventing cancer.