bluuebunny/crossref_metadata_2025 huggingface dataset:
Conformational Space Profiling Enhances Generic Molecular Representation for AI‐Powered Ligand‐Based Drug Discovery
Authors: Wang Lin , Wang Shihang , Yang Hao , Li Shiwei , Wang Xinyu , Zhou Yongqi , Tian Siyuan , Liu Lu , Bai Fang
Published: August 2024

The molecular representation model is a neural network that converts molecular representations (SMILES, Graph) into feature vectors, and is an essential module applied across a wide range of artificial intelligence‐driven drug discovery scenarios. However, current molecular representation models rarely consider the three‐dimensional conformational space of molecules, losing sight of the dynamic nature of small molecules as well as the essence of molecular conformational space that covers the heterogeneity of molecule properties, such as the multi‐target mechanism of action, recognition of different biomolecules, dynamics in cytoplasm and membrane. In this study, a new model named GeminiMol is proposed to incorporate conformational space profiles into molecular representation learning, which extracts the feature of capturing the complicated interplay between the molecular structure and the conformational space. Although GeminiMol is pre‐trained on a relatively small‐scale molecular dataset (39290 molecules), it shows balanced and superior performance not only on 67 molecular properties predictions but also on 73 cellular activity predictions and 171 zero‐shot tasks (including virtual screening and target identification). By capturing the molecular conformational space profile, the strategy paves the way for rapid exploration of chemical space and facilitates changing paradigms for drug design.
Preserving the Immune‐Privileged Niche of the Nucleus Pulposus: Safeguarding Intervertebral Discs from Degeneration after Discectomy with Synthetic Mucin Hydrogel Injection
Authors: Wang Huan , Chen Song , Liu Zhao , Meng Qingchen , Sobreiro‐Almeida Rita , Liu Ling , Haugen Håvard Jostein , Li Jiaying , Mano João F. , Hong Youzhi , Crouzier Thomas , Yan Hongji , Li Bin
Published: August 2024

Intervertebral disc (IVD) herniation is a prevalent spinal disorder, often necessitating surgical intervention such as microdiscectomy for symptomatic relief and nerve decompression. IVDs comprise a gel‐like nucleus pulposus (NP) encased by an annulus fibrosus (AF), and their avascular nature renders them immune‐privileged. Microdiscectomy exposes the residual NP to the immune system, precipitating an immune cell infiltration and attack that exacerbates IVD degeneration. While many efforts in the tissue engineering field are directed toward IVD regeneration, the inherently limited regenerative capacity due to the avascular and low‐cellularity nature of the disc and the challenging mechanical environment of the spine often impedes success. This study, aiming to prevent IVD degeneration post‐microdiscectomy, utilizes mucin‐derived gels (Muc‐gels) that form a gel at the surgical site, inspired by the natural mucin coating on living organisms to evade immune reorganization. It is shown that type I macrophages are present in severely degenerated human discs. Encapsulating IVDs within Muc‐gels prevents fibrous encapsulation and macrophage infiltration in a mouse subcutaneous model. The injection of Muc‐gels prevents IVD degeneration in a rat tail IVD degeneration model up to 24 weeks post‐operation. Mechanistic investigations indicate that Muc‐gels attenuate immune cell infiltration into NPs, offering durable protection against immune attack post‐microdiscectomy.
Optically Tunable Many‐Body Exciton‐Phonon Quantum Interference
Authors: Chang Si‐Jie , Huang Po‐Chun , Su Jia‐Sian , Hsieh Yu‐Wei , Quiroz Reyes Carlos Jose , Fan Ting‐Hsuan , Sun Han‐Sheng , Nguyem Ai‐Phuong , Liu Te‐I , Cheng Ho‐Wen , Lin Ching‐Wei , Hayashi Michitoshi , Yong Chaw‐Keong
Published: August 2024

This study introduces a novel paradigm for achieving widely tunable many‐body Fano quantum interference in low‐dimensional semiconducting nanostructures, beyond the conventional requirement of closely matched energy levels between discrete and continuum states observed in atomic Fano systems. Leveraging Floquet engineering, the remarkable tunability of Fano lineshapes is demonstrated, even when the original discrete and continuum states are separated by over 1 eV. Specifically, by controlling the quantum pathways of discrete phonon Raman scattering using femtosecond laser pulses, the Raman intermediate states across the excitonic Floquet band are tuned. This manipulation yields continuous transitions of Fano lineshapes from antiresonance to dispersive and to symmetric Lorentzian profiles, accompanied by significant variations in Fano parameter q and Raman intensity spanning 2 orders of magnitude. A subtle shift in the excitonic Floquet resonance is further shown, achieved by controlling the intensity of the femtosecond laser, which profoundly modifies quantum interference strength from destructive to constructive interference. The study reveals the crucial roles of Floquet engineering in coherent light‐matter interactions and opens up new avenues for coherent control of Fano quantum interference over a broad energy spectrum in low‐dimensional semiconducting nanostructures.
DrugFormer: Graph‐Enhanced Language Model to Predict Drug Sensitivity
Authors: Liu Xiaona , Wang Qing , Zhou Minghao , Wang Yanfei , Wang Xuefeng , Zhou Xiaobo , Song Qianqian
Published: August 2024

Drug resistance poses a crucial challenge in healthcare, with response rates to chemotherapy and targeted therapy remaining low. Individual patient's resistance is exacerbated by the intricate heterogeneity of tumor cells, presenting significant obstacles to effective treatment. To address this challenge, DrugFormer, a novel graph‐augmented large language model designed to predict drug resistance at single‐cell level is proposed. DrugFormer integrates both serialized gene tokens and gene‐based knowledge graphs for the accurate predictions of drug response. After training on comprehensive single‐cell data with drug response information, DrugFormer model presents outperformance, with higher F1, precision, and recall in predicting drug response. Based on the scRNA‐seq data from refractory multiple myeloma (MM) and acute myeloid leukemia (AML) patients, DrugFormer demonstrates high efficacy in identifying resistant cells and uncovering underlying molecular mechanisms. Through pseudotime trajectory analysisunique drug‐resistant cellular states associated with poor patient outcomes are revealed. Furthermore, DrugFormer identifies potential therapeutic targets, such as COX8A, for overcoming drug resistance across different cancer types. In conclusion, DrugFormer represents a significant advancement in the field of drug resistance prediction, offering a powerful tool for unraveling the heterogeneity of cellular response to drugs and guiding personalized treatment strategies.
Revolutionizing Tetracycline Hydrochloride Remediation: 3D Motile Light‐Driven MOFs Based Micromotors in Harsh Saline Environments
Authors: Zhao Yu , Lin Jiawei , Wu Qing , Ying Yulong , Puigmartí‐Luis Josep , Pané Salvador , Wang Sheng
Published: August 2024

Traditional light‐driven metal‐organic‐frameworks (MOFs)‐based micromotors (MOFtors) are typically constrained to two‐dimensional (2D) motion under ultraviolet or near‐infrared light and often demonstrate instability and susceptibility to ions in high‐saline environments. This limitation is particularly relevant to employing micromotors in water purification, as real wastewater is frequently coupled with high salinity. In response to these challenges, ultrastable MOFtors capable of three‐dimensional (3D) motion under a broad spectrum of light through thermophoresis and electrophoresis are successfully synthesized. The MOFtors integrated photocatalytic porphyrin MOFs (PCN‐224) with a photothermal component made of polypyrrole (PPy) by three distinct methodologies, resulting in micromotors with different motion behavior and catalytic performance. Impressively, the optimized MOFtors display exceptional maximum velocity of 1305 ± 327 µm s−1 under blue light and 2357 ± 453 µm s−1 under UV light. In harsh saline environments, these MOFtors are not only maintain high motility but also exhibit superior tetracycline hydrochloride (TCH) removal efficiency of 3578 ± 510 mg g−1, coupling with sulfate radical‐based advanced oxidation processes and peroxymonosulfate. This research underscores the significant potential of highly efficient MOFtors with robust photocatalytic activity in effectively removing TCH in challenging saline conditions, representing a substantial advancement in applying MOFtors within real‐world water treatment technologies.
WRN Nuclease‐Mediated EcDNA Clearance Enhances Antitumor Therapy in Conjunction with Trehalose Dimycolate/Mesoporous Silica Nanoparticles
Authors: Li Yinan , Huang Xiu , Li Yingying , Qiao Qingqing , Chen Caihong , Chen Yang , Zhong Weilong , Liu Huijuan , Sun Tao
Published: August 2024

Current research on tumor fibrosis has focused on cancer‐associated fibroblasts, which may exert dual functions of tumor promotion and inhibition. Little attention has been paid to whether tumor cells themselves can undergo fibrotic transformation and whether they can inhibit parenchymal cells similar to pulmonary fibrosis, thus achieving the goal of inhibiting the malignant progression of tumors. To explore the significance of inducing tumor fibrosis for cancer treatment. This study utilizes mesoporous silica nanoparticles (MSN) loaded with Trehalose dimycolate (TDM) to induce tumor cell fibrosis through the dual effects of TDM‐induced inflammatory granuloma and MSN‐induced foreign body granuloma. The results show that TDM/MSN (TM) can effectively induce tumor fibrosis, manifested specifically by collagen internalization, and suppression of proliferation and invasion capabilities, suggesting the potential role of tumor fibrosis therapy. However, further investigation reveals that extrachromosomal DNA (ecDNA) mediates resistance to fibrosis induction. To comprehensively enhance the efficacy, WRN exonuclease is conjugated to TM to form new nanoparticles (TMW) capable of effectively eliminating ecDNA, globally promoting tumor cell fibroblast‐like transformation, and validated in a PDX model to inhibit cancer progression. Therefore, TMW, through inducing tumor cell fibrosis to inhibit its malignant progression, holds great potential as a clinical treatment strategy.
Tangled webs and spider‐flowers: Phylogenomics, biogeography, and seed morphology inform the evolutionary history of Cleomaceae
Authors: Saunders Theresa C. , Larridon Isabel , Baker William J. , Barrett Russell L. , Forest Félix , Françoso Elaine , Maurin Olivier , Rokni Saba , Roalson Eric H.
Published: August 2024

Premise

Cleomaceae is an important model clade for studies of evolutionary processes including genome evolution, floral form diversification, and photosynthetic pathway evolution. Diversification and divergence patterns in Cleomaceae remain tangled as research has been restricted by its worldwide distribution, limited genetic sampling and species coverage, and a lack of definitive fossil calibration points.

Methods

We used target sequence capture and the Angiosperms353 probe set to perform a phylogenetic study of Cleomaceae. We estimated divergence times and biogeographic analyses to explore the origin and diversification of the family. Seed morphology across extant taxa was documented with multifocal image‐stacking techniques and morphological characters were extracted, analyzed, and compared to fossil records.

Results

We recovered a well‐supported and resolved phylogenetic tree of Cleomaceae generic relationships that includes 236 (~86%) species. We identified 11 principal clades and confidently placed Cleomella as sister to the rest of the family. Our analyses suggested that Cleomaceae and Brassicaceae diverged ~56 mya, and Cleomaceae began to diversify ~53 mya in the Palearctic and Africa. Multiple transatlantic disjunct distributions were identified. Seeds were imaged from 218 (~80%) species in the family and compared to all known fossil species.

Conclusions

Our results represent the most comprehensive phylogenetic study of Cleomaceae to date. We identified transatlantic disjunctions and proposed explanations for these patterns, most likely either long‐distance dispersals or contractions in latitudinal distributions caused by climate change over geological timescales. We found that seed morphology varied considerably but mostly mirrored generic relationships.
Proton Intercalation into an Open‐Tunnel Bronze Phase with Near‐Zero Volume Change
Authors: Kawai Kosuke , Jang Seong‐Hoon , Igarashi Yuta , Yazawa Koji , Gotoh Kazuma , Kikkawa Jun , Yamada Atsuo , Tateyama Yoshitaka , Okubo Masashi
Published: August 2024

Managing safety and supply‐chain risks associated with lithium‐ion batteries (LIBs) is an urgent task for sustainable development. Aqueous proton batteries are attractive alternatives to LIBs because using water and protons addresses these two risks. However, most host materials undergo large volume changes upon H+ intercalation, which induces intraparticle cracking to accelerates parasitic reactions. Herein, we report that Mo3Nb2O14 bronze exhibits reversible H+ intercalation (200 mAh g−1) with a Coulombic efficiency of 99.7 % owing to near‐zero volume change and solid‐solution‐type phase transition. Combination of experimental and theoretical analyses clarifies that rotation and shrinkage of open tunnels, which consist of flexible corner‐sharing Mo/NbOn polyhedra, relieve local structural distortions upon H+ intercalation to suppress intraparticle cracking. The prototype full cell of an aqueous proton battery with a Mo3Nb2O14 anode operates stably over 1000 charge/discharge cycles. This study reveals the importance of implementing distortion‐relieving voids in host materials to reduce volume change upon charge/discharge.
A Bandgap‐Tuned Tetragonal Perovskite as Zero‐Strain Anode for Potassium‐Ion Batteries
Authors: Yang Weijia , Huang Jun , Zheng Qinfeng , Chen Liwei , Orita Akihiro , Saito Nagahiro , Zhang Zhengxi , Zhang Yixiao , Yang Li
Published: August 2024

PIBs are emerging as a promising energy storage system due to high abundance of potassium resources and theoretical energy density, however, progress of PIBs is severely hindered by structural instability and poor cycling of anode material during continual insertion and extraction of larger‐sized K+. Hence, developing anode material with structural stability and stable cycling remains a great challenge. Herein, band gap‐tuned Mo‐doped and carbon‐coated lead titanate (CMPTO) with zero‐strain K+ storage is presented as ultra‐stable PIBs anode. Mo doping introduces narrowed band gap and optimized crystal lattice for enhanced intrinsic electron and ion transfer. Demonstrated by in situ XRD characterizations, the crystal structure stays stable with unchanged peak positions, fully revealing zero‐strain characteristic of CMPTO anode during potassium storage for stable cyclic capability. Ultimately, CMPTO anode achieved ultra‐stable cycling performance of 7000 cycles at 500 mA g−1 with high capacity retention of 90 % and considerable specific capacity of 130.9 mAh g−1 after 600 cycles at 100 mA g−1; with relatively large density, CMPTO realized eminent volumetric capacity of 1111.09 mAh cm−3 and ultra‐long cycling life of 10000 cycles at 7041 mA cm−3. This work introduces a promisingly new route into developing anode materials with ultra‐stable performance for PIBs.
Regiodivergent Functionalization of Protected and Unprotected Carbohydrates using Photoactive 4‐Tetrafluoropyridinylthio Fragment as an Adaptive Activating Group
Authors: Cao Shen , Zhang Haobo , Chen Mingshuo , Zhu Niming , Zhan Beibei , Xu Peng , Chen Xiaoping , Yu Biao , Zhang Xiaheng
Published: August 2024

The selective functionalization of carbohydrates holds a central position in synthetic carbohydrate chemistry, driving the ongoing quest for ideal approaches to manipulate these compounds. In this study, we introduce a general strategy that enables the regiodivergent functionalization of saccharides. The use of electron‐deficient photoactive 4‐tetrafluoropyridinylthio (SPyf) fragment as an adaptable activating group, facilitated efficient functionalization across all saccharide sites. More importantly, this activating group can be directly installed at the C1, C5 and C6 positions of biomass‐derived carbohydrates in a single step and in a site‐selective manner, allowing for the efficient and precision‐oriented modification of unprotected saccharides and glycans.
Multifunctional nitrogen rich benzoxazines with imine moiety: Structural insights, hydrophobic and corrosion‐resistant applications
Authors: Krishnan Pavithran , Madesh Priyanka , Krishnasamy Balaji , Thamizselvi R. , Muthukaruppan Alagar
Published: August 2024

Hybrid hydroxynaphthaldehyde (HNA) based benzoxazine products with good thermal stability, anticorrosion and hydrophobic properties have been synthesized. Nitrogen rich Schiff base core bifunctional benzoxazines (HNAG‐f and HNBG‐f) and trifunctional benzoxazine (HNMA‐f) have been synthesized using amino‐derivatives and paraformaldehyde through Mannich condensation. The structural confirmation of benzoxazines was studied using ATR‐FTIR, HRMS and 1H‐NMR spectral analyses. The polymerization (curing) temperature and thermal stability were assessed by DSC and TGA respectively. Data from DSC and TGA studies infer that HNMA‐f possesses the lowest curing temperature of 213°C and the highest thermal stability with a char yield of 41% at 850°C respectively when compared to those of the polybenzoxazines synthesized. The values of LOI and HRI calculated using TGA data infer that all the polybenzoxazines can be used for self‐extinguishing, flame retardant and heat resistant applications. Corrosion results indicated that these benzoxazines exhibit the surface protection efficiency of 99% towards mild steel surfaces. The polybenzoxazines exhibited hydrophobic property with a water contact angle value (WCA) of above 140°. The value of WCA did not vary much on exposing the polybenzoxazine coating to chemical and UV treatments suggesting that the polybenzoxazine coatings are durable. Data from different studies infer that these benzoxazines can be used in the form of adhesives, coatings, and thermally stable, anticorrosive, and hydrophobic and UV resistant applications.
Cost‐effectiveness analysis of osimertinib plus chemotherapy for patients with EGFR‐mutated advanced non‐small cell lung cancer
Authors: Tian Wentao , Niu Lishui , Zhou Rongrong , Wang Ziqi , Ning Jiaoyang , Lu Ruoyu , Shi Yin , Tan Zhaohua
Published: August 2024

Introduction

First‐line osimertinib plus chemotherapy significantly prolonged progression‐free survival of patients with EGFR‐mutated advanced non‐small cell lung cancer (NSCLC) compared to osimertinib, according to the FLAURA2 trial.

Methods

We established a Markov model to compare the cost‐effectiveness of osimertinib plus chemotherapy with that of osimertinib alone. Clinical data were obtained from the FLAURA and FLAURA2 trials, and additional data were extracted from online resources and publications. Sensitivity analyses were conducted to evaluate the robustness of the findings. We used A willingness‐to‐pay threshold of $150,000 per quality‐adjusted life‐years (QALYs) gained. The main outcomes were QALYs, overall costs, incremental cost‐effectiveness ratio (ICER), incremental net monetary benefit, and incremental net health benefit. Subgroup analyses were conducted according to patients' mutation type and central nervous system (CNS) metastatic status.

Results

In a 20‐year time horizon, the ICER of osimertinib plus chemotherapy versus osimertinib alone was $223,727.1 per QALY gained. The sensitivity analyses identified the cost of osimertinib and the hazard ratio for overall survival as the top 2 influential factors and a 1.9% probability of osimertinib plus chemotherapy to be cost‐effective. The subgroup analyses revealed ICERs of $132,614.1, $224,449.8, $201,464.1, and $130,159.7 per QALY gained for L858R mutations, exon 19 deletions, CNS metastases, and no CNS metastases subgroups, respectively.

Conclusions

From the perspective of the United States health care system, osimertinib plus chemotherapy is not cost‐effective compared to osimertinib alone for treatment‐naïve patients with EGFR‐mutated advanced NSCLC, but more favorable cost‐effectiveness occurs in patients with L858R mutations and patients without baseline CNS metastases.
Chidamide plus R‐GDP for relapsed/refractory diffuse large B‐cell lymphoma in patients ineligible for autologous transplantation: A prospective, single‐arm, phase II study
Authors: Chen Guang‐Liang , Xue Kai , Zhang Qunling , Xia Zu‐guang , Jin Jia , Li Ran , Liu Yizhen , Lv Fangfang , Hong Xiaonan , Li Xiaoqiu , Cao Junning
Published: August 2024

Background

In relapsed/refractory (R/R) diffuse large B‐cell lymphoma (DLBCL), a negative prognosis is frequently linked to heightened epigenetic heterogeneity. Chidamide, a selective histone deacetylase inhibitor, shows promise as a targeted therapy for R/R DLBCL by targeting abnormal epigenetic changes associated with poor prognosis.

Methods

A cohort of 27 ineligible patients with R/R DLBCL participated in an open — label, single — arm study. Chidamide was administered orally at a dose of 30 mg twice weekly for one week during the induction monotherapy phase. The subsequent combination therapy phase involved oral chidamide at a dose of 20 mg twice weekly for two weeks, followed by a one‐week discontinuation period, in conjunction with intravenous R‐GDP every 21 days.

Results

Among the cohort of 31 patients who underwent screening (median age: 67 years), 27 were ultimately included in the study, with 14 individuals successfully completing six cycles of C‐R‐GDP treatment. The overall best objective response rate was determined to be 79.1% (95% CI: 75.1%–83.3%), comprising a complete response rate of 45.8% (95% CI: 41.6%–49.9%) and a partial response rate of 33.3% (95% CI: 29.3%–37.4%). Within the subgroup of 14 patients who completed the full treatment regimen, the best objective response rate reached 100%, with 71.4% achieving complete response (n = 10) and 28.6% achieving partial response (n = 4). The median follow‐up period for these patients was 17.0 months, ranging from 3.5 to 55 months. Progression‐free survival was 5.9 months and overall survival was 48.3 months. Anemia was the most common adverse event, affecting all patients. Thrombocytopenia led to treatment interruption or dose reduction in 13 patients. Other common adverse events included hypocalcemia, hyponatremia, and hypokalemia. Three patients experienced grade 3 pneumonitis and one had grade 3 skin rash.

Conclusions

Chidamide combined with R‐GDP is a safe and effective treatment option for patients with R/R DLBCL who are not eligible for autologous stem cell transplantation.
Screening of gastric cancer diagnostic biomarkers in the homologous recombination signaling pathway and assessment of their clinical and radiomic correlations
Authors: Wu Ahao , Hu Tengcheng , Lai Chao , Zeng Qingwen , Luo Lianghua , Shu Xufeng , Huang Pan , Wang Zhonghao , Feng Zongfeng , Zhu Yanyan , Cao Yi , Li Zhengrong
Published: August 2024

Background

Homologous recombination plays a vital role in the occurrence and drug resistance of gastric cancer. This study aimed to screen new gastric cancer diagnostic biomarkers in the homologous recombination pathway and then used radiomic features to construct a prediction model of biomarker expression to guide the selection of chemotherapy regimens.

Methods

Gastric cancer transcriptome data were downloaded from The Cancer Genome Atlas database. Machine learning methods were used to screen for diagnostic biomarkers of gastric cancer and validate them experimentally. Computed Tomography image data of gastric cancer patients and corresponding clinical data were downloaded from The Cancer Imaging Archive and our imaging centre, and then the Computed Tomography images were subjected to feature extraction, and biomarker expression prediction models were constructed to analyze the correlation between the biomarker radiomics scores and clinicopathological features.

Results

We screened RAD51D and XRCC2 in the homologous recombination pathway as biomarkers for gastric cancer diagnosis by machine learning, and the expression of RAD51D and XRCC2 was significantly positively correlated with pathological T stage, N stage, and TNM stage. Homologous recombination pathway blockade inhibits gastric cancer cell proliferation, promotes apoptosis, and reduces the sensitivity of gastric cancer cells to chemotherapeutic drugs. Our predictive RAD51D and XRCC2 expression models were constructed using radiomics features, and all the models had high accuracy. In the external validation cohort, the predictive models still had decent accuracy. Moreover, the radiomics scores of RAD51D and XRCC2 were also significantly positively correlated with the pathologic T, N, and TNM stages.

Conclusions

The gastric cancer diagnostic biomarkers RAD51D and XRCC2 that we screened can, to a certain extent, reflect the expression status of genes through radiomic characteristics, which is of certain significance in guiding the selection of chemotherapy regimens for gastric cancer patients.
Association between changes in EEG alpha power and behavioural outcome in autistic children induced by child‐centred play therapy: A randomised controlled trial
Authors: Chan Kim‐Lui Raise , Ouyang Guang
Published: August 2024

Objective

The traditional research on evaluating psychological interventions has primarily relied on behavioural measurements (e.g. self‐report questionnaires). This study aimed to investigate the effects of child‐centred play therapy (CCPT) on autistic children at both behavioural and neural levels, as well as the association between the changes in neural and behavioural measurements induced by CCPT. It is hypothesised that alpha power would increase after CCPT, along with improvements in social responsiveness, adaptive social behaviour and autism spectrum disorder (ASD) social symptom measures and that these changes would be correlated across participants.

Method

A total of 65 autistic children were randomly assigned to a CCPT experimental group (n = 34; M age = 7.50) or a waitlist control group (n = 31; M age = 7.47). Electroencephalography (EEG) alpha power and behavioural data were recorded during pre‐ and post‐intervention assessment sessions. The behavioural measurements included the Social Responsiveness Scale‐2, Autism Spectrum Quotient—Child (social skill subscale) and Adaptive Behaviour Assessment System‐II (social domain). t‐Tests and correlational analyses were conducted to examine the CCPT effects and brain–behaviour associations.

Results

The results confirmed the effects of CCPT at both neural and behavioural levels and the association between these two levels across participants. Specifically, individuals with larger increases in alpha power after CCPT also showed greater behavioural improvement.

Conclusion

This study marks an initial endeavour, providing the first cross‐validation of CCPT effects on autistic children by demonstrating the brain–behaviour association. This approach advances the understanding of the therapeutic intervention effects of CCPT by presenting its multilevel impacts.
Intravascular lithotripsy in heavily calcified chronic total occlusion: procedural and one‐year clinical outcomes
Authors: Oliveri Federico , van Oort Martijn J. H. , Al Amri Ibtihal , Bingen Brian O. , Claessen Bimmer E. , Dimitriu‐Leen Aukelien C. , Kefer Joelle , Girgis Hany , Vossenberg Tessel , van der Kley Frank , Jukema J. Wouter , Montero‐Cabezas Jose M.
Published: August 2024

Background

Calcification within chronic total occlusions (CTO) is strongly associated with worse outcomes. Despite the excellent success and safety of intravascular lithotripsy (IVL) in heavily calcified lesions, evidence in CTO remains scarce.

Aim

This study aimed to evaluate the procedural and long‐term clinical outcomes of IVL in heavily calcified CTO.

Methods

Patients who underwent IVL between 2019 and 2024 from an ongoing prospective multicenter registry were eligible for inclusion. Patients were therefore classified in CTO and non‐CTO groups. The efficacy and safety endpoints of CTO percutaneous coronary interventions were defined according to the CTO‐ARC consensus. In‐hospital major adverse cardiovascular events (MACE) included cardiac death, nonfatal myocardial infarction and target lesion revascularization (TVR).

Results

A total of 404 patients underwent IVL, of which the treated lesion was a CTO in 33 (8.2%). The mean J‐CTO score was 2.3 ± 1.1. Device success showed no significant difference between CTO and non‐CTO groups (100% vs 98.4%; p = 0.35). Comparable technical success with residual stenosis <30% was observed in both groups (90.1% in CTO vs 89.2% in non‐CTO, p = 0.83). The incidence of MACE was similar across groups during hospital stays (CTO 6.0% vs. non‐CTO 1.9%, p = 0.12), at 30‐day (CTO 9.1% vs. non‐CTO 3.0%, p = 0.07), and at 12‐month follow‐up (CTO 9.1% vs. non‐CTO 7.3%, p = 0.70).

Conclusion

IVL provides high procedural success and consistent clinical outcomes in both CTO and non‐CTO cases, reinforcing its role in managing heavily calcified coronary lesions.
Transvaginal ultrasound diagnosis of a rare entity: Premenopausal ovarian hyperthecosis
Authors: Cornelli Benedetta , Froyman Wouter , Garofalo Giulia
Published: August 2024

Key Clinical Message

Ovarian hyperthecosis (OH) is a benign pathology, less common in premenopause. Literature is poor on its ultrasound (US) characteristics. We suggest that a heterogeneous ovary at US, with a central vascularisation and follicles to the periphery, with or without hyperandrogenism, should lead to consider OH in the hands of experts.
A rare case of invasive Enterococcus cecorum infection and related diagnostic difficulties
Authors: Szymanski Mateusz , Skiba Małgorzata M. , Piasecka Małgorzata , Olender Alina
Published: August 2024

Key Clinical Message

This report presents a rare case of invasive infection caused by Enterococcus cecorum. There are no specific guidelines regarding antibiotic therapy for this infection. Based on this case, it can be concluded that linezolid demonstrates in vivo activity against Enterococcus cecorum and can be successfully used in therapy.

Enterococcus cecorum is an extremely rare pathogen in humans. Since 1984, when the microorganism was first described, only a dozen cases of invasive infections in humans have been reported in the literature. The diagnostic pathway may involve difficulties in correctly identifying this microorganism. Based on the case described, it can be thought that Enterococcus cecorum is a more challenging bacterium than the much more common Enterococcus faecium or Enterococcus faecalis. The described case underscores the importance of medical vigilance in clinical practice. It seems that due to increasingly advanced techniques in molecular biology, we will more frequently detect pathogens that were previously encountered only sporadically. Since not every center has access to modern and advanced microbiological diagnostic methods, publications that practically combine classical microbiological diagnostic methods with those less accessible but more modern are exceptionally valuable. In the case described, it is also worth noting that classical methods still play a significant and crucial role in conducting microbiological diagnostics. In the era of rapid diagnostic tool development, it is important to emphasize the necessity of combining different methods rather than replacing one with another.
Symptomatic right side extralobular pulmonary sequestration in a young woman: A rare case report
Authors: Alemu Meiraf Bayouh , Getachew Zenebe Daniel , Wondemagegn Zeru Seyoum , Worku Atsede Birhanu , Beyene Hiwot Mehari , Tareke Desalew Gedamu , Atalay Adugnaw Atnafu
Published: August 2024

Key Clinical Message

Pulmonary sequestration is uncommon congenital malformation. It is important to consider pulmonary sequestration even in young adults presenting with recurrent pneumonic symptoms because prompt surgical intervention is both feasible and curative. Moreover, in health settings lacking CT/MRI angiography service, pulmonary sequestration can be easily misdiagnosed as smear negative pulmonary tuberculosis. Therefore, strong clinical suspicion is required to prevent patient mismanagement.
Blastic plasmacytoid dendritic cell neoplasm of skin, a rare dermatohematologic malignancy—A case report
Authors: Edjtemaei Ramtin , Ghanadan Alireza , Ameli Fereshte
Published: August 2024

Key Clinical Message

Blastic plasmacytoid dendritic cell neoplasm is a rare hematologic malignancy and appropriate diagnosis encounters difficulties in both clinical and pathologic aspects. This case report aims to present a clinical case to help familiar clinicians and pathologists with this rare entity.

Blastic plasmacytoid dendritic cell neoplasm (BPDCN) is an uncommon hematologic malignancy. Because of the rarity of the disease and aggressive behavior, we present this case. A 71‐year‐old man presented with a forehead ulcerated skin lesion. On histopathologic examination, pan‐dermal atypical mononuclear infiltrate, consisting of small‐medium sized cells with fine chromatin pattern was seen without epidermotropism which were immunoreactive for CD123, CD56, TdT and CD4, while negative for CD3, CD20, and MPO that confirmed the diagnosis of BPDCN. BPDCN is a highly aggressive hematologic malignancy derived from plasmacytoid dendritic cells. Male‐to‐female ratio is 3.3:1. Skin involvement can present as either an isolated purplish nodule or disseminated purplish nodules or papules or macules. On microscopic examination, skin involvement is characterized by monomorphic infiltrates of immature neoplastic cells with blastoid morphology, involving the superficial and deep dermis, often with extension into the subcutis with epidermal spare. Immunophenotyping shows usually positive reactions for CD123, CD45, CD4, CD56, TCL1, CD2AP, CD43, BCL2, TdT, Granzyme B, and TCF4, whereas tumor cells are negative for CD3, CD19, CD20, MPO, CD13 and Lysozyme. Differential diagnoses of BPDCN include myeloid sarcoma, myelomonocytic leukemia, mature plasmacytoid dendritic cell proliferation (MPDCP) and Merkel cell carcinoma. Pathologists ought to be familiar with this WHO entity for early disease diagnosis, because of disease rarity and diagnosis difficulties.
Laccase‐Copper Nanohybrids as Highly Active Catalysts for Bio‐degradation
Authors: Qiao Yida , Xin Ruobing , Ge Jun
Published: August 2024

Phenolic contamination is one of the crucial concerns for the safety of drinking water. Enzymatic degradation is a green and efficient manner for phenolic compounds removal from water. However, enzymatic degradation of phenolic pollutants in water is limited as a result of the low activity, stability and reusability of the enzyme. Herein, we propose a novel strategy to degrade phenolic pollutants in water by using an enzyme‐metal hybrid catalyst constructed by in situ formation of ultrafine Cu nanoparticles on the cross‐linked Laccase aggregates. The designed Cu/Lac CLEAs showed excellent performance on phenolic pollutants removal due to the cooperative catalysis between Lac CLEA and Cu NPs and the enrichment of phenolic pollutants in hybrid catalyst. The degradation efficiency of 2,4,6‐trichlorophenol catalyzed by Cu/Lac CLEAs was improved by 33 % compared to the Lac CLEAs, while Cu NPs barely catalyzed the degradation process of phenolic pollutants. The Cu/Lac CLEAs hybrid catalyst exhibit high catalytic activity at room temperature in a wide pH range of 5–8, making the degradation of phenolic pollutants more practically operational. In other words, this study develops a novel hybrid catalyst for the efficient removal of pollutants from water.
Reduced Surface Area for the Oxygen Reduction Reaction in Porous Electrode via Electrical Conductivity Relaxation
Authors: Han Hairui , Guo Guanwei , Zhang Shaowei , Peng Ranran , Xia Changrong
Published: August 2024

Oxygen reduction reaction (ORR) performance of porous electrodes is critical for solid oxide fuel cells (SOFCs). However, the effects of gas diffusion on the ORR in porous media need further investigation, although some issues, such as nonthermal surface oxygen exchange, have been attributed to gas diffusion. Herein, La0.6Sr0.4Co0.2Fe0.8O3‐δ (LSCF) with various porosity, pore radii, and gas permeability were investigated via the electrical conductivity relaxation method and analysed via the distributed of characteristic time (DCT) model. The ORR is revealed with three characteristic times, which are gas diffusion, oxygen exchange via the surface corresponding to small pores, and oxygen exchange to large pores. Gas diffusion delays the oxygen surface exchange reaction, resulting in a very low chemical oxygen surface exchange coefficient compared with that obtained with dense samples under the assumption that all the surfaces are active for the ORR. Reduced surface area is thus defined to quantitatively represent the gas diffusion effects. The reduced surface area increases with increasing gas permeability, demonstrating the importance of electrode engineering for fast gas transport. Moreover, reduced surface area is suggested for replacing the specific surface area to calculate the electrode polarization impedance via the ALS model.
Photoresponsive Dioxazaborocanes‐Containing Oligomers
Authors: Nour Eddine Nour , Meslong Laurine , Cordier Marie , Arroyo Diaz Ismael , Aloïse Stéphane , Devillard Marc , Alcaraz Gilles
Published: August 2024

The synthetic methodology for the preparation of photoresponsive dioxazaborocanes‐containing oligomers is developed. It relies on the transformation of the (diisopropylamino)boryl group (−BH(NiPr2)) into a dioxazaborocane unit in the presence of β‐aminodiols and involves a bis‐borylated dithienylethene photochromic unit. The photophysical properties of the obtained oligomers are evaluated as well as their processability for the preparation of spin‐coated films. The photomechanical behavior of the resulting films is assessed via displacement tracking profile.
Improved, Efficient, and Simple Methodology for the Resolution of Racemic Benoxaprofen: A Nonsteroidal Anti‐Inflammatory Drug (NSAID)
Authors: Velugula Siva Rama Kasibabu , Kagita Veera Babu , Chavakula Ramadas , Sanasi Paul Douglas
Published: August 2024

The present article discloses an improved, efficient, and simple resolution methodology for the preparation of (S)‐benoxaprofen which is a nonsteroidal anti‐inflammatory drug (NSAID). The resolution of racemic benoxaprofen uses an easily available, efficient, recoverable, and cost‐effective chiral reagent, namely, (1R,2S)‐(+)‐cis‐1‐amino‐2‐indanol. This novel resolution process is having a very high purity of (S)‐benoxaprofen, greater than 99%, substantially free from (R)‐benoxaprofen (less than 1%).
Probing the Behaviour of Fluids Confined in Porous Materials by Neutron Scattering: Applications to CO2 Sequestration and Enhanced Oil and Gas Recovery
Authors: Stefanopoulos Konstantinos L.
Published: August 2024

The current review presents a discussion on the utility of neutron scattering, with emphasis on neutron total scattering and small‐angle neutron scattering (SANS), to explore the structural properties and the phase behaviour of fluids confined in nanopores. The effectiveness of contrast matching SANS on the evaluation of accessibility of porous materials to invading fluids is highlighted too. This review provides also an overview regarding the neutron scattering studies on the structure and the accessibility of greenhouse gases in the complex pore network of geomaterials, with applications to CO2 geological sequestration and enhanced oil and gas recovery.
Mandatory disclosure and corporate ESG performance: Evidence from China's “explanation for nondisclosure” requirement
Authors: Wu Longsheng , Liu Siyao , Qi Lingli , Lin Deqin
Published: August 2024

This paper examines the impact of mandatory disclosure requirement on corporate environmental, social, and governance (ESG) performance, specifically within the framework of China's “Dual‐Carbon” targets. Utilizing data on ESG performance of nonfinancial companies listed in mainland China from 2013 to 2021 and the implementation of the “explanation for nondisclosure” requirement by the Hong Kong Exchanges and Clearing Limited (HKEX) in 2016 as a quasi‐experiment, this study employs a difference‐in‐difference approach for empirical analysis. The findings reveal that the implementation of “explanation for nondisclosure” requirement has resulted in an average increase of 0.57 points in the ESG performance scores of corporations. Mechanism analysis indicates that this requirement promotes ESG performance by curbing corporate managerial myopia and enhancing the quality of internal controls. Further analysis using a triple difference model (DDD) reveals that the impact of the “explanation for nondisclosure” requirement is more pronounced for companies in heavily polluting industries. These findings are significant for understanding the role of mandatory ESG disclosure policies in promoting corporate green transformation and sustainable development. The results not only empirically support the advancement toward China's “Dual‐Carbon” goals but also offer insights for global policymakers in similar regulatory environments. Additionally, this study underscores the pivotal role of regulatory frameworks in aligning corporate strategies with global sustainability objectives.
Preparation of Sustainable Ni/SiO2 Catalysts from Rice Husk by Different Methods for CO2 Methanation
Authors: Yu Yang , Zhang Yihuan , Hu Yizhi , Zhang Chong , Wu Rundong , Chen Xiaohan , Li Moke , Ye Runping , Zhang Rongbin , Feng Gang
Published: August 2024

Silicon dioxide (SiO2) from rice husk can be extracted and be used as support for Ni‐based catalysts. The impregnation method (IM) is usually used for preparing Ni/SiO2 catalysts, but its catalytic activity in CO2 hydrogenation to CH4 remains unsatisfactory. In this work, we explored alternative preparation methods, using ammonia evaporation method (AEM) and hydrothermal method (HM) to prepare the catalysts. The results showed that the catalysts prepared by AEM and HM were significantly superior to that prepared by IM. Notably, the catalyst synthesized by AEM from sustainable silica exhibited the best performance, achieving 81.69 % CO2 conversion and over 99 % methane selectivity at low reaction temperature of 300 °C. The characterization techniques indicate that the Ni/SiO2‐AEM catalyst can form nickel phyllosilicate with lamellar structure, leading to better Ni dispersion and higher specific surface area. Furthermore, the results of in‐situ DRIFTS have revealed the potential catalytic mechanism over Ni/SiO2 catalysts, indicating that it involves pathways with both the CO* and HCOO* as the key intermediates.
Viability of Whole‐Slide Imaging for Intraoperative Touch Imprint Cytological Diagnosis of Axillary Sentinel Lymph Nodes in Breast Cancer Patients
Authors: Ren Fei , Li Huange , Yang Wentao , Chen Ying , Zheng Yuwei , Zhang Hao , Zhou Shuling , Ping Bo , Shi Peng , Wan Xiaochun , Wang Yanli
Published: August 2024

Background

Whole‐slide imaging (WSI) is a promising tool in pathology. However, the use of WSI in cytopathology has lagged behind that in histology. We aimed to evaluate the utility of WSI for the intraoperative touch imprint cytological diagnosis of axillary sentinel lymph nodes (SLNs) in breast cancer patients.

Methods

Glass slides from touch imprint cytology of 480 axillary SLNs were scanned using two different WSI scanners. The intra‐ and interobserver concordance, accuracy, possible reasons for misdiagnosis, scanning time, and review time for three cytopathologists were compared between WSI and light microscopy (LM).

Results

A total of 4320 diagnoses were obtained. There was substantial to strong intraobserver concordance when comparing reads among paired LM slides and WSI digital slides (κ coefficient ranged from 0.63 to 0.88, and concordance rates ranged from 94.58% to 98.33%). Substantial to strong interobserver agreement was also observed among the three cytopathologists (κ coefficient ranged from 0.67 to 0.85, and concordance rates ranged from 95.42% to 97.92%). The accuracy of LM was slightly higher (average of 98.06%) than that of WSI (averages of 96.81% and 97.78%). The majority of misdiagnoses were false negative diagnoses due to the following top three causes: few cancer cells, confusing cancer cells with histiocytes, and confusing cancer cells with lymphocytes.

Conclusions

This study is the first to address the feasibility of WSI in touch imprint cytology. The use of WSI for intraoperative touch imprint cytological diagnosis of SLNs is a practical option when experienced staff are not available on‐site.
Covalently Anchoring and In Situ Electrochemical Activation of Conductive Selenophene‐Organic Matrix‐Driven High‐Efficiency Potassium Organic Batteries
Authors: Liu Hang , Yu Ruohan , Luo Xiaoqi , Wu Di , Wang Dongxue , Wu Jinsong , Zhou Liang , Liu Jinping , Xia Jianlong
Published: August 2024

Organic electrode materials (OEMs) constitute an attractive class of energy storage materials for potassium‐ion batteries, but their application is severely hindered by sluggish kinetics and limited capacities. Herein, inorganic molecules covalent combination strategy is proposed to drive advanced potassium organic batteries. Specifically, molecular selenium, possessing high potential of conductivity and electroactivity, is covalently bonded with organic matrix, that is symmetrical selenophene‐annulated dipolyperylene diimide (PDI2‐2Se), is designed to verify the feasibility. The inorganic‐anchored OEM (PDI2‐2Se) can be electrochemically activated to form organic (PDI2 matrix)–inorganic (Se) hybrids during initial cycles. State‐of‐the‐art 3D tomography reveals that a “mutual‐accelerating” effect was realized, that is, the 10‐nm Se quantum dots, possessing high conductivity, facilitate charge transfer in organics as well store K+‐ions, and organic PDI2 matrix benefits the encapsulation of Se, thereby suppressing shuttle effect and volume fluctuation during cycling, endowing resulting PDI2/Se hybrids with both high‐rate capacities and longevity. The concept of inorganic‐configurated OEM through covalent bonds, in principle, can also be extended to design novel functional organic‐redox electrodes for other high‐performance secondary batteries.
Photoreactivity of C=N Double Bond Using N‐(4‐Pyridylmethylene)Aniline‐Coordinated Zn(II) Complex Crystal
Authors: Chen Yun , Song Yu , Saito Yuki , Zheng Xin , Pirillo Jenny , Hijikata Yuh , Noro Shin‐ichiro
Published: August 2024

The photoirradiation to the Zn complex crystal having N‐(4‐pyridylmethylene)aniline (4‐pma) ligand with a central –C=N‐ bond led to no photodimerization reaction but only partial trans‐cis isomerization of 4‐pma. The reason why no photodimerization reaction occurred may be due to the stable twisted structure of 4‐pma causing the prevention from proper approaching of neighboring 4‐pma ligands.
Metal‐Free Direct Synthesis of N‐Sulfonyl Amidines from Thioamides and Electron Deficient N‐Sulfonylamides
Authors: Vankar Jigarkumar K. , Tothadi Srinu , Gururaja Guddeangadi N.
Published: August 2024

A metal‐free, efficient synthesis of N‐sulfonyl amidines has been demonstrated from easily accessible thioamides and electron‐deficient sulfonyl amides. The amidation reaction is facile at room temperature with low sulfonyl amide loading. The reaction with thioamides is illustrated with various thioamides and electron‐deficient sulfonyl amides with broad substrate scope. The utility of N‐sulfonyl amidine synthesis is validated with late‐stage drug functionalization.