bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic Predisposition to Low-Density Lipoprotein Cholesterol and Incident Type 2 Diabetes
Authors: Ravi Akshaya , Koyama Satoshi , Cho So Mi Jemma , Haidermota Sara , Hornsby Whitney , Ellinor Patrick T. , Natarajan Pradeep
Published: January 2025

Importance

Treatment to lower high levels of low-density lipoprotein cholesterol (LDL-C) reduces incident coronary artery disease (CAD) risk but modestly increases the risk for incident type 2 diabetes (T2D). The extent to which genetic factors across the cholesterol spectrum are associated with incident T2D is not well understood.

Objective

To investigate the association of genetic predisposition to increased LDL-C levels with incident T2D risk.

Design, Setting, and Participants

In this large prospective, population-based cohort study, UK Biobank participants who underwent whole-exome sequencing and genome-wide genotyping were included. Participants were separated into 7 groups with familial hypercholesterolemia (FH), predicted loss of function (pLOF) in APOB or PCSK9 variants, and LDL-C polygenic risk score (PRS) quintiles. Data were collected between 2006 and 2010, with a median follow-up of 13.7 (IQR, 12.9-14.5) years. Data were analyzed from March 1 to November 1, 2024.

Exposures

LDL-C level, LDL-C PRS, FH, or pLOF variant status.

Main Outcomes and Measures

Cox proportional hazards regression models adjusted for age, sex, genotyping array, lipid-lowering medication use, and the first 10 genetic principal components were fitted to assess the association between LDL-C genetic factors and incident T2D and CAD risks.

Results

Among the 361 082 participants, mean (SD) age was 56.8 (8.0) years, 194 751 (53.9%) were female, and mean (SD) baseline LDL-C level was 138.0 (33.6) mg/dL. During the follow-up period, 22 619 (6.3%) participants developed incident T2D and 17 966 (5.0%) developed incident CAD. The hazard ratio for incident T2D was lowest in the FH group (0.65; 95% CI, 0.54-0.77), while the highest risk was in the pLOF group (1.48; 95% CI, 1.18-1.86). The association between LDL-C PRS and incident T2D was 0.72 (95% CI, 0.66-0.79) for very high LDL-C PRS, 0.87 (95% CI, 0.84-0.90) for high LDL-C PRS, 1.13 (95% CI, 1.09-1.17) for low LDL-C PRS, and 1.26 (95% CI, 1.15-1.38) for very low LDL-C PRS. CAD risk increased directly with the LDL-C PRS.

Conclusions and Relevance

In this cohort study, LDL-C and T2D risks were inversely associated across genetic mechanisms for LDL-C variation. Further elucidation of the mechanisms associating low LDL-C risk with increased risk of T2D is warranted.
Acne Relapse and Isotretinoin Retrial in Patients With Acne
Authors: Lai Jenny , Barbieri John S.
Published: January 2025

Importance

Isotretinoin is the only medical acne treatment capable of inducing acne remission; however, some patients experience acne relapse and require retrials of isotretinoin. There is a need to understand who is most at risk and how daily dose and cumulative dosage can influence outcomes.

Objective

To assess rates of acne relapse and isotretinoin retrial and to identify associated factors among patients with acne who received an isotretinoin treatment course.

Design, Setting, and Participants

This cohort study used data from the MarketScan commercial claims database from January 1, 2017, to December 31, 2020, to identify patients with acne who were 12 years or older and had received isotretinoin for 4 months or longer, with at least 1 year of continuous enrollment after completion of isotretinoin. Data analyses were performed from June 30, 2024, to August 1, 2024.

Main Outcomes and Measures

Multivariable Cox proportional hazards regression was used to quantify associations of patient demographic and treatment characteristics with acne relapse and isotretinoin retrial.

Results

A total of 19 907 patients (mean [SD] age, 20.6 [7.8] years; 10 504 females [52.8%]) were included, among whom 4482 (22.5%) had acne relapse and 1639 (8.2%) had isotretinoin retrial. Female sex (hazard ratio [HR], 1.43; 95% CI, 1.35-1.52) was significantly associated with increased rates of acne relapse, and isotretinoin cumulative dosage (mg/kg) was associated with a decreased rate of acne relapse (HR, 0.996; 95% CI, 0.995-0.997). Furthermore, daily dose was not associated with decreased risk of acne relapse or isotretinoin retrial among those with conventional and high cumulative dosages. Female sex (HR, 0.68; 95% CI, 0.62-0.76) and isotretinoin cumulative dosage (HR, 0.99; 95% CI, 0.98-0.99) were associated with decreased rates of isotretinoin retrial. Stratification by cumulative dosage indicated that higher cumulative dosage was associated with decreased rates of retrial among patients with low (<120 mg/kg) and conventional (120-220 mg/kg), but not high (>220 mg/kg) cumulative dosage. Maximum daily dose (mg/kg/d) was not negatively associated with acne relapse or isotretinoin retrial in patients with cumulative dosage of 120 mg/kg or more.

Conclusions and Relevance

The findings of this cohort study suggest that higher cumulative dosage may potentially reduce risk of acne relapse and isotretinoin retrial. Furthermore, daily dose was not associated with decreased risk of the outcomes for conventional and high cumulative dosage; therefore, daily dosing could be individualized to patient goals and preferences.
An Ontology‐Augmented Digital Twin for Fiber‐Reinforced Polymer Structures at the Example of Wind Turbine Rotor Blades
Authors: Luger Marc , Seidel Alexander , Pähler Ursula , Schröck Sebastian , Hofmann Peter , Kölbl Sebastian , Drechsler Klaus
Published: January 2025

A methodology for establishing a structural digital twin is proposed to facilitate the lifetime prediction of fiber‐reinforced polymer (FRP) structures, in this case, a wind turbine rotor blade. The digital twin incorporates production peculiarities and imperfections occurring during the manufacturing process of the FRP component. The methodology involves the computation of process‐defined effective elastic properties and residual stresses through numerical simulation of the resin cure cycle. The results are then transferred to a structural finite‐element model. By applying local wind conditions to this model, a comprehensive state of stress is obtained. This serves as a basis for a practical evaluation of material fatigue within the composite, leading to the prediction of the component's lifetime. The entire workflow is implemented in a Jupyter‐based application that uses an ontology with an appertaining knowledge graph to facilitate the transfer of intermediate results between the observation scales and process steps of the digital twin. In line with the principles of open science, the methodology utilizes open‐source software.
Graphene–Nickel Oxide–Polyaniline Ternary Nanocomposite‐Embedded Epoxy Coating on Mild Steel for Corrosion Protection
Authors: Saini Ravi , Goswami Ramesh N. , Sharma Om P. , Singh Raghuvir , Kumar Amit , Kumar Navin , Khatri Om P.
Published: January 2025

The present work addresses the synthesis and application of graphene‐based ternary nanocomposite for anticorrosion performance to protect mild steel in an accelerated corrosive environment. The chemically‐functionalized graphene‐nickel oxide (Gr‐NiO)‐PANI ternary nanocomposite is synthesized by the hydrothermal reduction of graphene oxide (GO) and nickel salt in the presence of urea, followed by interfacial wrapping of Gr‐NiO by in situ grown polyaniline (PANI). The transmission electron microscopic images reveal the wrapping of Gr‐NiO by PANI in the Gr‐NiO‐PANI ternary nanocomposite. The spectroscopic analyses (Fourier transform infrared and Raman) suggest the multiple interactions between Gr‐NiO and interfacially grown PANI in Gr‐NiO‐PANI. The thoroughly blended Gr‐NiO‐PANI ternary nanocomposite into epoxy matrix via interfacial interactions provides uniform coating (thickness: 87 ± 6 μm) on mild steel and increases the hardness by 160%. The corrosion inhibition performance of PANI, Gr‐PANI, and Gr‐NiO‐PANI nanocomposites in epoxy coating is probed based on electrochemical and salt spray measurements in a 3.5% NaCl solution. The Gr‐NiO‐PANI in the epoxy coating substantially enhances the total impedance and protects the underneath mild steel. The salt spray tests further corroborate the electrochemical results and demonstrate substantial enhancement in corrosion inhibition by Gr‐NiO‐PANI nanocomposite with no sign of corrosion even after 10 days, revealing its potential to mitigate corrosion of mild steel‐based structural and engineering installations.
Au(I)‐Catalyzed Regiodivergent Hydroarylation of Allenes for the Synthesis of Tetrahydrodiazepines or Tetrahydrodiazonines
Authors: Zhou Pengyu , Retailleau Pascal , Gandon Vincent , Voituriez Arnaud , Guinchard Xavier
Published: January 2025

Allenes tethered to pyrroles undergo Au(I)‐catalyzed hydroarylation leading to tetrahydrodiazepines or tetrahydrodiazonines. The regioselectivity of the reaction is governed by both the substitution pattern of the allene and the nature of the Au(I) ligand. Hence, alkyl‐gem‐disubstituted allenes preferentially lead to tetrahydrodiazepines via 7‐exo‐cyclizations, while aryl‐substituted allenes preferentially lead to tetrahydrodiazonines via 9‐endo‐cyclization when a phosphite ligand is used. Enantioselective reactions have been developed with the SEGPHOS chiral ligand, leading to chiral heterocycles with high enantioselectivity (up to 96% ee). In addition, DFT calculations have streamlined the regioselectivity (7‐exo vs 9‐endo) of these gold(I)‐catalyzed cyclizations.
Photoinduced Catalytic Alkylation of Active Methine Compounds with Nonactivated Alkenes Using Yttrium Triflate as a Lewis Acid Catalyst
Authors: Yamashita Yasuhiro , Enokijima Rentaro , Ogasawara Yoshihiro , Hisada Tomoya , Kobayashi Shū
Published: January 2025

Photoinduced catalytic alkylation reactions of active methine compounds with nonactivated alkenes have been developed using an organophotocatalyst, a metal Lewis acid, an arylthiol, and an amine base catalyst system. The alkylation reactions proceeded smoothly under ambient conditions with blue light irradiation, affording the desired products bearing quaternary carbon centers in high yields. Furthermore, enantioselective alkylation with an nonactivated alkene was achieved using a chiral Lewis acid.
“Three‐in‐one” Analysis of Proteinuria for Disease Diagnosis through Multifunctional Nanoparticles and Machine Learning
Authors: Wang Yidan , Sun Jiazhu , Yi Jiuhong , Fu Ruijie , Liu Ben , Xianyu Yunlei
Published: January 2025

Urinalysis is one of the predominant tools for clinical testing owing to the abundant composition, sufficient volume, and non‐invasive acquisition of urine. As a critical component of routine urinalysis, urine protein testing measures the levels and types of proteins, enabling the early diagnosis of diseases. Traditional methods require three separate steps including strip testing, protein/creatinine ratio measurement, and electrophoresis respectively to achieve qualitative, quantitative, and classification analyses of proteins in urine with long time and cumbersome operations. Herein, this work demonstrates a “three‐in‐one” protocol to analyze the urine composition by combining multifunctional nanoparticles with machine learning. This work constructs a sensor array to analyze proteinuria by employing nanoparticles with unique optical properties, outstanding catalytic activity, diverse composition, and tunable structure as probes. Different proteins interacted with nanoprobes differently and are classified by this sensor array based on their physicochemical heterogeneities. With the aid of machine learning, the urine composition is precisely detected for the diagnosis of bladder cancer. This protocol enables quantification and classification of 5 proteinuria in 10 min without any tedious pretreatment, showing proimise for the comprehensive analysis of body fluid for early disease diagnosis.
From Radioactive Effluent to Drinking Water: Efficient Removal of Trace 99TcO4−/ReO4− by Cationic Porous Aromatic Framework
Authors: Pang Long‐Sheng , Liao Xiangjun , Zhao Chao‐Yue , Li Cheng‐Peng , Liu Zhong , Ma Shengqian
Published: January 2025

Efficient removal of 99TcO4− from radioactive effluents while recovering drinking water remains a challenge. Herein, an excellent ReO4− (a nonradioactive surrogate of 99TcO4−) scavenger is presented through covalently bonding imidazolium poly(ionic liquids) polymers with an ionic porous aromatic framework (iPAF), namely iPAF‐P67, following an adsorption‐site density‐addition strategy. It shows rapid sorption kinetics, high uptake capacity, and exceptional selectivity toward ReO4−. Notably, the residual concentration of TcO4−/ReO4− in the radioactive wastewater after iPAF‐P67 treatment is as low as 0.046 ppb, fully meeting the drinking water standards of World Health Organization (WHO, 0.159 ppb) and United States Environmental Protection Agency (U.S. EPA, 0.053 ppb). Density functional theory (DFT) calculations show that the imidazolium groups in iPAF‐P67 provide stronger electrostatic interactions and higher binding energies between iPAF‐P67 and TcO4− anions, leading to its superior adsorption performance. Furthermore, the scale‐up synthesized iPAF‐P67 materials are shaped with polyethersulfone (PES) to fabricate PAF‐P67/PES beads and nanofibers via phase inversion method and electrospinning technique, respectively. Both composites demonstrate outstanding ultra‐purification abilities toward ReO4− to meet the WHO criteria even after multiple dynamic adsorption/desorption cycles. This work develops a design strategy for adsorbents applicable in the sequestration of low‐concentration radioactive pollutants.
Clustering on Surface Plasmon Resonance Profiles to Improve Hit Assignment of Small Molecules Targeting CAG Repeat DNA
Authors: Chen Qingwen , Yamada Takeshi , Santo Hiroaki , Murakami Eitaro , Murata Asako , Matsushita Yasuyuki , Nakatani Kazuhiko
Published: January 2025

Screening is essential in early‐stage drug discovery. In traditional methods for identifying hits after screening assays, such as surface plasmon resonance (SPR), specific thresholds, which may lead to information loss, are used. In this study, 177 hits from a pool of 2000 SPR profiles are identified using an unsupervised learning strategy, which includes all 104 hit profiles assigned based on intensity thresholds. The clustering result is validated with model performance scores, including recall and precision. Additionally, it is observed that the hit clusters in this SPR assay exhibit four distinct shapes with “slow‐to‐fast” kinetics, which indicates that the clusters obtained by clustering can be thought kinetically related. The kernel density estimation plot supports that different kinetics binders have molecular feature difference and show nearly consistent with the clustering results.
“A place to call home”: A process of liberation for Rohingya Refugees in the United States
Authors: Zhao Jenny , Brodsky Anne
Published: January 2025

This study explores the experiences of Rohingya refugees in the United States following their forced migration and years as stateless refugees. Qualitative strengths‐based phenomenological analysis was applied to individual interviews with eight key informants, all identified as Rohingya refugees. Interviews focused on experience and meaning‐making concerning the complexities of Rohingya identity and belonging, rights and liberation in the United States, and the impact of generational, gender, and migration patterns. Five superordinate themes were initially identified. The first theme focused on the adaptive and resilient responses to institutionalized discrimination, emphasizing changes in Rohingya identity and values. The second theme examined how these adaptive responses influenced participants' perceptions of American culture and society. The final three themes underscored participants' reflections on their sense of agency, efforts to preserve Rohingya culture, and their journey to find belonging. These themes were further analyzed and discussed through a liberation framework. The findings demonstrate how Rohingya diaspora communities are impacted by their pre‐, intermediary, and post‐migration experiences as they create cultural roots and establish permanency, actively claim their agency, and promote liberation.
Applying PVEST to identify the diverse coping and identity resources with which DACAmented and undocumented latine students navigate their journeys to and through higher education
Authors: Hershberg Rachel M. , de Veritch Woodside Vanessa , Durán Stteffany , Rodriguez Jessica Lemus , Gonzalez Annia Barajas
Published: January 2025

Undocumented and DACAmented Latine high school graduates are enrolling in college at a low rate despite being eligible for in‐state tuition in 25 U.S. states. More research is needed about the conditions that support students' journeys to and through their institutions. We conducted this qualitative study with nine Latine students who attended our small, public university in Washington to better understand how to support them throughout their educations and the inequities they confronted in K‐12 schools that impact higher education experiences. Through applying the phenomenological variant of ecological systems theory in a thematic analysis of participants' interviews, we illuminated variable pathways to college, including differential access to supports and challenges in K‐12 spaces, and how such supports/challenges may influence students' meaning‐making and the coping strategies and identity development processes they engaged when confronting stressors in higher education (e.g., relying on strong academic identities, or, alternatively disengaging from school). Findings highlight the complex psychosocial processes Latine youth engage in throughout their academic journeys and ways to support them as they resist oppressive systems.
Primary Effusion Lymphoma Prognostic Score (PEL‐PS): A Validated International Prognostic Score in HIV‐Associated Primary Effusion Lymphoma
Authors: Lurain Kathryn , Ramaswami Ramya , Oksenhendler Eric , Boutboul David , Dalla Pria Alessia , Ulrich Lara , Shanmugasundaram Krithika , Uldrick Thomas S. , Bower Mark , Yarchoan Robert , Gérard Laurence , Steinberg Seth M.
Published: January 2025

Primary effusion lymphoma (PEL) is an HIV‐associated B‐cell non‐Hodgkin lymphoma (NHL) caused by Kaposi sarcoma herpesvirus (KSHV). There is no validated prognostic model in PEL, and prognosis is thought to be poor compared to other HIV‐associated NHL. We derived the PEL‐Prognostic score (PEL‐PS) from an international real‐world training set of 59 patients with HIV‐associated PEL who received first‐line anthracycline‐containing chemotherapy from the HIV and AIDS Malignancy Branch at the National Cancer Institute (NCI) in the United States and the National Center for HIV Malignancy at the Chelsea and Westminster Hospital (CWH) in England from 2000 to 2022. We identified prognostic factors associated with overall survival (OS). In a multivariable Cox model, ECOG ≥ 3 (p = 0.007; hazard ratio [HR] = 4.0 [95% CI: 1.5–11.1]) and hemoglobin < 8 g/dL (p = 0.006; HR = 3.8 [95% CI: 1.5–9.7]) were jointly associated with lower survival probability. The resulting PEL‐PS separated patients with no negative prognostic factors (score 0: hemoglobin ≥ 8 g/dL and ECOG ≤ 2, 48.1% of patients) with median OS of 10.6 years versus patients with 1–2 negative prognostic factors (score 1–2: hemoglobin < 8 g/dL and/or ECOG ≥ 3, 51.9% of patients) with median OS of 0.8 years (p < 0.0001). The PEL‐PS was then validated in 58 patients with HIV‐associated PEL treated with first‐line anthracycline‐containing chemotherapy at Hôpital Saint‐Louis in France over the same period: median OS in patients with PEL‐PS 0 was 16.9 years versus 0.6 years in patients with PEL‐PS score of 1–2 (p < 0.0001). The PEL‐PS identifies patients with good and poor prognosis. Patients with poor prognosis may benefit from novel therapies.
ortho‐Selective Suzuki Coupling of Dichlorophenol and Dichlorobenzylalcohol in Water under Palladium Catalysis Directed by Noncovalent Interactions and Computational Analysis
Authors: Zhao Shangxun , Wen Shuo , Chen Hongrun , Zhan Kewei , Weng Jiawei , Ding Danli , Cai Xingwei , Song Heng , Xu Chen
Published: January 2025

The use of attractive noncovalent interactions is emerging as a versatile approach to address site‐selectivity challenges. Herein, we report ortho‐selective Suzuki coupling reactions in water of 2,3‐dichloroarenes and 2,4‐dichloroarenes bearing a hydroxy group in the presence of a palladacycle catalyst and directed by noncovalent interactions. Various ortho‐substituted arylphenols and arylbenzyl alcohols were obtained in good to excellent yields with high selectivity. Density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations suggested that the ortho‐selective Suzuki coupling of dichlorophenols and dichlorobenzyl alcohols occurred through electrostatic interactions and hydrogen bonding interactions, respectively.
One‐pot Synthesis and Antitubercular Activity of Imidazo[2,1‐b]thiazol‐1H‐pyrazolylphosphonates
Authors: Chirra Nagaraju , Shanigarapu Varshitha , Sridhar Balasubramanian , Kantevari Srinivas
Published: January 2025

Herein, we present an effective one‐pot method for the synthesis of imidazo[2,1‐b]thiazole‐pyrazole phosphonates from 5‐imidazo[2,1‐b] thiazole carboxaldehydes. The reaction involves a 1,3‐dipolar cycloaddition between in situ generated α,β‐unsaturated ketones and the Bestmann–Ohira reagent (BOR), facilitated by a base, leading to the formation of pyrazole phosphonates as the sole regioisomer with excellent yields. The in vitro evaluation of the newly synthesized compounds 4(a–x) against Mycobacterium tuberculosis H37Rv (Mtb) identified compound 4 o as the most effective analogue (MIC: 6.25 μg/mL; 10.40 μM).
Retrieving the Stability and Practical Performance of Activation‐Unstable Mesoporous Zr(IV)‐MOF for Highly Efficient Self‐Calibrating Acidity Sensing
Authors: Lang Feifan , Zhang Lulu , Li Yang , Xi Xiao‐Juan , Pang Jiandong , Zheng Wenjun , Zhou Hong‐Cai , Bu Xian‐He
Published: January 2025

The practical applications of activation‐unstable mesoporous metal‐organic frameworks (MOFs) are often constrained by their structural instability. However, enhancing their stability could unlock valuable functionalities. Herein, we stabilized the otherwise unstable, post‐activated structure of a novel mesoporous Zr(IV)‐MOF, NKM‐809, which constructed from a pyridine‐containing amphiprotic linker (PPTB). We applied two strategies: mixed‐linker synthesis and linker installation. In the mixed‐linker approach, we incorporated an auxiliary linker, TPTB, which resembles PPTB, during synthesis to improve the framework's stability. In the linker installation approach, we introduced a ditopic carboxylate linker (BPDC) into the coordination‐unsaturated sites of NKM‐809. These strategies produced stabilized derivatives, named NKM‐808.X (X=χPPTB) and NKM‐809‐BPDC, which exhibit pH‐responsive dual‐wavelength fluorescence at distinct emission wavelengths. Remarkably, these emissions shift oppositely upon protonation and dissociation, distinguishing them as highly sensitive, self‐calibrating acidity sensors. In NKM‐809‐BPDC, an additional quenching of the linker‐emission (419 nm) minimizes inherent interference, enabling integrated quality and lifespan self‐monitoring. Theoretical calculations identified transitions between (n, π*) and (π, π*) emission states during the sensing process and highlighted the role of a stable mesoporous network in achieving stronger protonation response. These findings showcase the potential of stabilized mesoporous MOFs for practical applications, alongside valuable insights into strategies for optimizing such materials.
Two Ferrocene‐Modified Copper(I) Complexes for the Synergistic Enhancement of Chemodynamic Therapy
Authors: Peng Rui , Zhong Jing‐Jing , Yang Daohan , Hong Zhaoguo , Bian He‐Dong , Huang Fu‐Ping
Published: January 2025

In recent years, some Cu‐based complexes and nanomaterials that can better adapt to tumour microenvironments and produce better chemodynamic therapeutic effects have been synthesised. Ferrocene and its derivatives have garnered increasing attention as a therapeutic option in chemodynamic therapy owing to their excellent catalytic activity. Herein, two ferrocene‐modified Cu(I) complexes, Fc‐AD‐Cu and Fc‐IH‐Cu, were synthesised with atomically precise structures. Both exhibit good Fenton/Fenton‐like activity, inducing the generation of reactive oxygen species in Hep‐G2 cells and improving chemodynamic therapeutic efficiency.
Novel Dehydroabietylamine C‐Ring Schiff Base Derivatives: Synthesis, Antiproliferative activity, DNA binding and Molecular docking
Authors: Li Lin , Lu Wen , Xue Huayu , Yang Shilong , Zhou Mengyi , Xu Li
Published: January 2025

A series of Dehydroabietylamine (DHAA) C‐ring Schiff derivatives, L3‐L20, were synthesized and their in vitro cytotoxic activity against the human tumor cell lines cervix HeLa, breast MCF‐7, lung A549, liver HepG2, and the nonmalignant cell line umbilical vein HUVEC was investigated. Most of the compounds showed varying degrees of anticancer activity against HeLa cell lines while demonstrating lower toxicity to normal HUVEC cells compared to DHAA and doxorubicin (DOX), especially compound L19, which not only enhanced the anticancer activity of DHAA, but also significantly reduced the toxicity to normal cells, achieving a selectivity index (SI) 118 times higher than that of DHAA and 245 times higher than that of DOX. In addition, Compound L19 induced apoptosis in HeLa cells in a dose‐dependent manner, suppressed the expression of the anti‐apoptotic protein Bcl‐2, and arrested the cell cycle at the S phase. Spectroscopic experiments and molecular docking results showed that there was a strong interaction between the compounds and DNA. All these results indicate that the introduction of Schiff base structure on the C‐ring of DHAA is an effective strategy for enhancing its selectivity, providing new insights for the design of DHAA‐based anticancer compounds.
Brønsted Acid‐Catalyzed Regioselective Coupling between Azoles and Arylcyclobutenes
Authors: Jing Chunxiu , Wang Juanjuan , Chang Jie , He Yi , Zheng Zhaojing , Wei Hao
Published: January 2025

Herein, we describe a protocol for Brønsted acid‐catalyzed regioselective coupling of azoles such as pyrazoles, 1,2,3‐triazole, 1,3,4‐triazole, benzotriazole, indazole and tetrazole, to cyclobutenes. These azoles could be directly coupled with various arylcyclobutenes with high site‐selectivity, offering a distinct entry to more functionalized cyclobutanes. The usage of inexpensive TsOH ⋅ H2O catalyst, broad substrate scope, and open‐air conditions make this protocol practically viable. This study not only contributes a feasible tool for selective functionalization of cyclobutenes, but also provides a strategy to introduce cyclobutane moieties into complex molecules.
Recommendations for the Safe Application of Temporal Interference Stimulation in the Human Brain Part II: Biophysics, Dosimetry, and Safety Recommendations
Authors: Cassarà Antonino M. , Newton Taylor H. , Zhuang Katie , Regel Sabine J. , Achermann Peter , Pascual‐Leone Alvaro , Kuster Niels , Neufeld Esra
Published: January 2025

Temporal interference stimulation (TIS) is a new form of transcranial electrical stimulation (tES) that has been proposed as a method for targeted, noninvasive stimulation of deep brain structures. While TIS holds promise for a variety of clinical and nonclinical applications, little data is yet available regarding its effects in humans and its mechanisms of action. To inform the design and safe conduct of experiments involving TIS, researchers require quantitative guidance regarding safe exposure limits and other safety considerations. To this end, we undertook a two‐part effort to determine frequency‐dependent thresholds for applied currents below which TIS is unlikely to pose risk to humans in terms of heating or unwanted stimulation. In Part II of this effort, described here, we draw on a previously compiled list (see Part I) of adverse effects (AEs) reported for transcranial direct/alternating current stimulation (tDCS/ACS), deep brain stimulation (DBS), and TIS to determine biophysics‐informed exposure metrics for assessing safety. Using an in silico approach, we conduct multiphysics simulations of various tACS, DBS, and TIS exposure scenarios in an anatomically detailed head and brain model. By matching the stimulation in terms of the identified exposure metrics, we infer frequency‐dependent TIS parameters that produce exposure conditions equivalent to those known to be safe for tACS and DBS. Based on the results of our simulations and existing knowledge regarding tES and DBS safety, we propose frequency‐dependent thresholds below which TIS voltages and currents are unlikely to pose a risk to humans. Safety‐related data from ongoing and future human studies are required to verify and refine the thresholds proposed here.
The Development of a Reverberation Chamber for the Assessment of Biological Effects of Electromagnetic Energy Absorption in Mice
Authors: Iskra Steve , McIntosh Robert L. , McKenzie Raymond J. , Frankland John V. , Deng Chao , Sylvester Emma , Wood Andrew W. , Croft Rodney J.
Published: January 2025

In this paper, we present the design, RF‐EMF performance, and a comprehensive uncertainty analysis of the reverberation chamber (RC) exposure systems that have been developed for the use of researchers at the University of Wollongong Bioelectromagnetics Laboratory, Australia, for the purpose of investigating the biological effects of RF‐EMF in rodents. Initial studies, at 1950 MHz, have focused on investigating thermophysiological effects of RF exposure, and replication studies related to RF‐EMF exposure and progression of Alzheimer's disease (AD) in mice predisposed to AD. The RC exposure system was chosen as it allows relatively unconstrained movement of animals during exposures which can have the beneficial effect of minimizing stress‐related, non‐RF‐induced biological and behavioral changes in the animals. The performance of the RCs was evaluated in terms of the uniformity of the Whole‐Body Average‐Specific Absorption Rate (WBA‐SAR) in mice for a given RF input power level. The expanded uncertainty in WBA‐SAR estimates was found to be 3.89 dB. Validation of WBA‐SAR estimates based on a selected number of temperature measurements in phantom mice found that the maximum ratio of the temperature‐derived WBA‐SAR to the computed WBA‐SAR was 1.1 dB, suggesting that actual WBA‐SAR is likely to be well within the expanded uncertainties.
Biological function and mechanism of NAT10 in cancer
Authors: Han Yufeng , Zhang Xinxin , Miao Lei , Lin Huiran , Zhuo Zhenjian , He Jing , Fu Wen
Published: January 2025

N‐acetyltransferase 10 (NAT10) is a nucleolar acetyltransferase with an acetylation catalytic function and can bind various protein and RNA molecules. As the N4‐acetylcytidine (ac4C) “writer” enzyme, NAT10 is reportedly involved in a variety of physiological and pathological activities. Currently, the NAT10‐related molecular mechanisms in various cancers are not fully understood. In this review, we first describe the cellular localization of NAT10 and then summarize its numerous biological functions. NAT10 is involved in various biological processes by mediating the acetylation of different proteins and RNAs. These biological functions are also associated with cancer progression and patient prognosis. We also review the mechanisms by which NAT10 plays roles in various cancer types. NAT10 can affect tumor cell proliferation, metastasis, and stress tolerance through its acetyltransferase properties. Further research into NAT10 functions and expression regulation in tumors will help explore its future potential in cancer diagnosis, treatment, and prognosis.
Cu(I)‐Anchored Amine‐Rich Covalent‐Organic Polymer for Sustainable Utilization of CO2 in the Synthesis of Valuable Chemicals and C─C Bond Formation Reactions
Authors: Rana Abhijeet , Mukherjee Srijan , Sundari Kalimuthu Abirami , Dhakshinamoorthy Amarajothi , Biswas Shyam
Published: January 2025

Selective chemical fixation of carbon dioxide (CO₂) offers a promising approach to mitigate rising atmospheric CO₂ levels while facilitating the synthesis of valuable commodity chemicals, thereby supporting the circular economy. The cycloaddition of CO₂ to form α‐alkylidene cyclic carbonates is particularly attractive due to its utilization of CO₂, a low‐cost C1 feedstock, in a reaction with 100% atom economy. In this study, we have developed an amine‐functionalized, nitrogen‐rich covalent organic polymer (COP), SNW‐1@NH₂, which strongly supports the grafting of Cu(I) ions within its porous framework. The synergistic interaction between SNW‐1@NH₂ and Cu(I) enhances the catalytic activity for the CO₂ cycloaddition with propargylic alcohol, resulting in the formation of α‐alkylidene cyclic carbonates at room temperature without the need for precious metal catalysts. Notably, the catalyst exhibits a broad substrate scope with high recyclability and maintains its structural integrity and catalytic performance. Additionally, the SNW‐1@NH₂ was successfully applied in the catalytic Knoevenagel condensation of benzaldehyde with cyanoacetamide, demonstrating a broad substrate scope, excellent recyclability, and stability. Mechanistic studies were performed to elucidate the reaction pathways for both catalytic processes. This work underscores the potential of nitrogen‐rich porous materials in addressing the critical environmental challenges and expanding catalytic applications.
PROTOCOL: Non‐criminal justice interventions for countering cognitive and behavioural radicalisation amongst children and adolescents: A systematic review of effectiveness and implementation
Authors: Lewis James , Marsden Sarah , Stefaniak Anna , Hewitt James
Published: January 2025

This is the protocol for a Campbell systematic review. The objectives are as follows. (1) Examine whether secondary and tertiary interventions delivered outside of the criminal justice system are effective at countering the cognitive and behavioural radicalisation of children and adolescents by synthesising evidence relating to relevant primary and secondary outcomes of effectiveness. (2) Examine whether secondary and tertiary interventions delivered outside of the criminal justice system are being implemented as intended by synthesising evidence that captures how interventions are implemented, considering whether they are implemented as expected or in ways that align with their underlying logic. (3) Identify those implementation factors (facilitators and barriers) and moderators that impact how interventions working with children and adolescents are delivered.
Health Care Resource Utilization With Dronedarone Versus Sotalol Following Catheter Ablation in Adults With Atrial Fibrillation
Authors: Zeitler Emily P. , Stein Dara , Preblick Ron , Kabadi Shaum M. , McKindley David S. , Rashkin Jason , Huse Samuel , Stamas Nicole , Kim Michael H.
Published: January 2025

Background

Clinical trials support dronedarone use for atrial fibrillation (AF) following catheter ablation (CA); however, comparative data on health care resource utilization (HCRU) with other antiarrhythmic drugs are lacking.

Methods

Retrospective analysis of Merative MarketScan databases (January 01, 2012−March 31, 2020) comparatively assessed HCRU in US adults with AF who received dronedarone or sotalol post‐CA. Patients with ≥ 12‐months' pre‐CA data were followed from post‐CA index treatment to disenrollment, death, or study end. Sotalol‐treated patients were propensity score‐matched (1:1) with dronedarone‐treated patients. Events/100 patient‐years (PY) were analyzed by univariate generalized‐linear model with Poisson distribution. Cumulative incidence was analyzed over 12 months by Kaplan–Meier methods. Subgroup analyses were conducted by sex and patients new to dronedarone or sotalol during 12 months pre‐CA.

Results

Dronedarone and sotalol cohorts were successfully matched (n = 1600 each). Prevalence/100‐PY for all‐cause, cardiovascular (CV)‐related, and atrial tachyarrhythmia (ATA)/AF–related HCRU was lower in dronedarone versus sotalol cohort (all p < 0.05). Cumulative incidence for all‐cause, CV‐related, ATA/AF‐related hospitalizations, and pacemaker implantation was lower in dronedarone versus sotalol cohort (all p < 0.05). Incidence of all‐cause and CV‐related hospitalizations was lower in dronedarone versus sotalol cohorts in females (n = 460) and males (n = 1115) (all p < 0.05) after rematching. Incidence of ATA/AF‐related hospitalization was lower in males versus females receiving dronedarone. For patients new to dronedarone or sotalol (n = 549), HCRU results were generally consistent with primary analyses.

Conclusion

Post‐CA dronedarone, versus sotalol, lowered CV‐related HCRU in all‐comers with AF and in sex subgroups. Findings may contribute to clinical decision making post‐CA in patients with AF.
Gut microbial alteration in chronic spontaneous urticaria unresponsive to second generation antihistamines and its correlation with disease characteristics‐ a cross‐sectional case‐control study
Authors: Podder Indrashis , Pesqué David , Carrón Nerea , González Torres Pedro Iñaki , Pujol Ramon M. , Giménez‐Arnau Ana M.
Published: January 2025

Background

Gut microbial involvement has been speculated in chronic spontaneous urticaria (CSU). The aim of the study was to compare the gut microbiome composition and diversity in CSU patients uncontrolled with second‐generation antihistamines (sgAHs) and healthy individuals, as well as to explore any association between gut microbiome and disease characteristics.

Methods

A cross‐sectional case‐control study including 20 CSU patients unresponsive to standard doses of sgAHs, and 15 age‐and‐sex matched healthy controls was conducted. Clinico‐demographic profile, laboratory investigations and stool analysis were conducted in all study participants. 16S RNA gene sequencing and DNA isolation was performed for all stool samples, followed by bioinformatic analysis.

Results

The CSU patients (mean age 39.5 ± 9.3, M:F 1:4) and healthy controls (mean age 35 ± 13, M:F 1:2) were statistically comparable. The median (IQR) duration of CSU was 42 months (7–81). Concomitant angioedema and concomitant symptomatic dermographism were present in 30% and 20% CSU patients, respectively. At inclusion, 60% patients were receiving add‐on omalizumab, while the remaining 40% were on up‐dosed sgAHs. Stool microbial analysis revealed increased diversity and higher microbial richness in CSU patients compared with healthy individuals. CSU patients showed reduced load of short‐chain fatty acid (SCFA) producing microbiota and increased load of opportunistic pathogens. The Firmicutes/Bacteroides (F/B) ratio was higher in CSU patients. Among CSU patients, higher Bacteroides and reduced Firmicutes count were associated with higher disease activity and poor control; however, there was no link with the type of therapy.

Conclusion

Gut microbial dysbiosis is seen in CSU and is linked with disease control.
Early neurodevelopmental follow‐up results from the NEOLEV2 cohort
Authors: Sharpe Cynthia , Reiner Gail E. , Reed Peter W. , Joe Priscilla , Wilson Francessa , Davis Suzanne L. , Lee Lilly , Wang Sonya , Gold Jeff , Haas Richard H.
Published: January 2025

Aim

The aim of this study was to evaluate predictors of neurodevelopmental outcome following hypoxic‐ischemic encephalopathy (HIE) and neonatal seizures in the randomized controlled trial cohort from the NEOLEV2 study.

Method

Seizure burden, randomized levetiracetam versus phenobarbital antiseizure medication, and duration of breastfeeding were studied as predictors of neurodevelopmental outcome.

Results

Outcome could be assessed in 115 patients with HIE and/or seizures; 89 patients with HIE (50% of 178 patients with HIE in the original cohort), and 60 patients with seizures (63% of 96 patients with seizures in the original cohort), and including 34 patients who had both HIE and seizures. A strong association between seizure burden and outcome was shown. However, the association was not statistically significant after correction for known predictors of outcome: magnetic resonance imaging severity of injury score, Sarnat score, and hypothermia treatment. This study was underpowered to assess for effect of randomized antiseizure medication or duration of breastfeeding on neurodevelopmental outcome; however, no large trends were seen.

Interpretation

This study adds to the debate as to whether neonatal seizures have an independent detrimental effect on neurodevelopmental outcome. Larger studies with longer neurodevelopmental follow‐up are needed to investigate these questions.
Application of Artificial Intelligence Advances in Athletics Industry: A Review
Authors: Du Tao , Bi Nan
Published: January 2025

With the rapid development of Artificial Intelligence (AI) technology, the athletics field is undergoing profound changes. This transformation is reflected not only in the ways of training and competition but also in the overall enhancement of athletes' performance and the efficiency of event management. The introduction of AI has made data analysis feasible, enabling coaches and athletes to gain deeper insights and make more informed decisions. This paper reviews the current applications of AI in the athletics domain and its enhancement of athlete performance and competitive strategies, focusing on the practical applications of AI in event management, performance analysis, injury detection, and personalized training. Furthermore, AI systems support coaches in intelligent analysis by integrating historical data with real‐time data, thereby improving the efficiency of tactical decision‐making. However, despite the significant achievements in AI applications, a series of challenges remain, including the lack of high‐quality datasets, insufficient model interpretability, and ethical and privacy issues. In light of these challenges, we also propose viewpoints on future development directions aimed at promoting the intelligent transformation of the athletics industry.
Tunable Focusing Liquid Crystal Lenses: The Challenges and the Opportunities
Authors: Hirankittiwong Pemika , Laeim Huddad , Molahalli Vandana , Alodhayb Abdullah , Chattham Nattaporn , Hegde Gurumurthy
Published: January 2025

The utilization of liquid crystals (LC) as materials has enabled the enlargement of lenses with the potential to alter their focus. Tunable LC lenses with adjustable focus are essential for optical imaging, sensing, and detection devices. This technology offers many benefits, such as the ability to adjust focus, operate with low power, and be easily made. Its compact structure and stability are also advantages. Adding polymer additives to pure LC systems enhances their capabilities and provides more flexibility and functionality. This review explores ways to enhance the performance of tunable LC lenses, including image quality, speed, optical power, and device fabrication. Especially, enhancements include a switchable focus range, wider viewing angles, and a flexible lens. The challenges in fabricating and controlling LC methods have significant implications for many potential applications. The discovery of new LC materials and lens designs will further highlight these implications.
Using Industrial Mining Solid Waste through Conversion to Phase‐Change Materials for Thermal Energy Storage
Authors: Jiang Jiaping , Cao Yitong , Li Guo , Geng Long , Zhang Xiao , Zhao Jiateng , Liu Changhui
Published: January 2025

The mining industry produces a large amount of industrial solid waste every year. Among them, fly ash (FA), slag and tailings are the three main solid wastes, which can cause soil pollution, air pollution, water pollution and serious threat to human health if not handled properly. At present, the treatment methods of industrial solid waste mainly include direct landfill, recovery of high‐value components, production of construction materials, etc. These methods not only waste land resources, but also have a limited scope of application. Mining and metallurgical industrial solid wastes are generally characterized by high porosity, certain mechanical strength, and high yield, which can be used as a porous matrix to support phase change materials (PCMs) after modification treatment, thus solving the problem of easy leakage of PCMs. At present, there is no overview of mining industry solid waste in PCM applications. This paper provides a detailed review of the research progress of FA, slag and tailings in the field of phase change thermal storage materials in recent years, which provides useful ideas for further research on the comprehensive utilization of solid wastes in the mining and metallurgical industry and the reduction of their pollution of the environment.
Impact of Fluorination on Membrane‐Protein Stabilization and Extraction by Lactobionamide Detergents
Authors: Cornut Damien , Soulié Marine , Guillet Pierre , Kanayo Onyia Kenechi , Mahler Florian , Keller Sandro , Moreno Alexis , Durand Grégory
Published: January 2025

We report the synthesis of a series of detergents with a lactobionamide polar head group and a tail containing four to seven perfluorinated carbon atoms. Critical micellar concentrations (CMCs) were determined using isothermal titration calorimetry (ITC) and surface tension (SFT) measurements, showing a progressive decrease from 27 mM to about 0.2 mM across the series. While the detergent with the longest fluorinated chain exhibited poor water solubility, the other three derivatives were freely soluble. Dynamic light scattering (DLS) measurements indicated an increase in hydrodynamic diameter with chain length, from 5 nm to 17 nm for the soluble derivatives. We evaluated these detergents for extraction and stabilization of two model membrane proteins, the human adenosine A2A receptor (A2AR) and the Bacillus subtilis multidrug resistance ABC transporter BmrA. The perfluorohexyl derivative demonstrated strong solubilization capacity, while the perfluoro‐pentyl derivative was more effective for stabilization. The lack of a clear correlation between fluoroalkyl chain length and solubilizing or stabilizing efficacy highlights the importance of screening diverse detergents for membrane‐protein studies.
Valorization of Humins by Cyclic Levulinic Acid Production Using Polyoxometalates and Formic Acid
Authors: Wassenberg André , Esser Tobias , Poller Maximilian J. , Voß Dorothea , Albert Jakob
Published: January 2025

At a time when increasing attention is paid to sustainability in chemistry, levulinic acid (LA) is one of the most important platform chemicals for the goal of overcoming our dependence on fossil raw materials. However, a so far limiting obstacle on the way to efficient LA production from biomass is the formation of undesirable humin byproducts. In this work, a new catalytic route for the effective utilization of these humin byproducts, enabling a cyclic synthesis of LA using formic acid (FA) as organocatalyst is proposed. Selective catalytic oxidation (SCO) of humins using the H5PV2Mo10O40 (HPA‐2) polyoxometalate (POM) catalyst produces FA that can be isolated from the aqueous reaction mixture by using nanofiltration membranes accompanied by a complete catalyst recycling (>99 %). After concentration of FA by distillation, the latter can be used as organocatalyst for LA production from sugars, whereby the formed humins can in turn be separated and used as substrates for further FA production via SCO to close the catalytic cycle. By using FA as a green and sustainable acidic organocatalyst, relatively high yields of LA (up to 42 mol %) could be achieved. In the future this can potentially lead to the creation of a closed cycle for an environmentally friendly and efficient production of green LA without undesired humin formation.