bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical Insights of the Non‐Rigid Behavior of Benzophenone by Franck‐Condon Factors Approach
Authors: Flores‐Larrañaga Rafael , Castro María Eugenia , Palma Alejandro , Melendez Francisco J.
Published: February 2025

Benzophenone is a molecule with several extremely relevant characteristics, widely used as a type‐2 photoinitiator due to its unique electronic properties and a very efficient intersystem crossing. In general, benzophenone can absorb directly to S1 or S2 states, but S0 → S1 transition is weak. Also, benzophenone has symmetric activity of the torsional modes of the phenyl groups, suggesting that is a non‐rigid molecule. This work has two fundamental purposes. The first is to examine the ground state (S0) and first singlet excited state (S1) of benzophenone using TD‐DFT methodology to generate the potential energy surface (PES) to understand its non‐rigid behavior; and the second, to examine the Franck‐Condon factors (FC factors) between the transition S0 → S1. From our results, the most accurate was the hybrid functional PBE0. From the PES analysis of S0 and S1 states, we observe that several minima were located and that they are separated by relative low energy barriers. The global minimum of S0 is found at θ1/θ2 = 28.15° and for S1 at θ1/θ2 = 20.71°. Interestingly, the PES of S1 state shows a very extensive area of minimum energy and a local minimum located at θ1 = 90.71°/θ2 = 0.71°. From the vibrational spectra, we observe two intense signals that correspond to the symmetric phenyl twisting of normal mode 2 (23 and 24), and a combination between the symmetric hydrogen scissoring of 441 and 23. As the vibronic spectrum tells, this transition is forbidden by the orbital theory but it is electronically allowed. Also, from the Duschinksy matrix, we observe a high mixing of vibrational modes.
CASHeart: A database of single cells chromatin accessibility for the human heart
Authors: Jiang Qun , Chen Xiaoyang , Gao Zijing , Jia Jinmeng , Chen Shengquan , Jiang Rui
Published: February 2025

Human heart single‐cell chromatin accessibility data reveal the diversity and complexity of heart cells at the epigenomic level, providing a detailed perspective for understanding the molecular mechanisms of heart development, function maintenance, disease occurrence, and therapeutic response. However, the current human heart single‐cell chromatin accessibility data are relatively scarce, lacking large‐scale, high‐quality, and integrated datasets. To facilitate research and utilization, we have established a comprehensive database of human heart single‐cell chromatin accessibility data, CASHeart. This database collects sequencing fragment files from publicly available papers, processes and counts data for 212,600 human heart cells, and provides transformed gene activity scores. All data are accessible for browsing and download via the online platform. We demonstrate that the data provided by CASHeart reveal heart cell type heterogeneity more effectively than the original data, aiding in the analysis of differentially accessible chromatin regions and activated genes. Moreover, we show that the incorporation of single‐cell chromatin accessibility data and transformed gene activity scores from CASHeart as reference datasets enhances the analysis of heart single‐cell epigenomic and transcriptomic data, whereas the unified chromatin accessible regions provided by CASHeart can assist in the study of gene regulation and genetic variation in human cardiac cells.
Importance of the Study of the Right Heart Chambers in Symptomatic Acute Pulmonary Embolism
Authors: Rodríguez‐Núñez Nuria , Virgós‐Pedreira Alejandra , Illade‐Fornos Alfonso , Ferreiro‐ Fernández Lucía , Toubes‐Navarro María E. , Valdés‐Cuadrado Luis
Published: February 2025

We present the case of a 42‐year‐old woman on oral contraceptives that presented to the emergency department with pain and swelling in the left lower limb. Diagnosis of extensive deep vein thrombosis was established. A few minutes later, she exhibited signs of shock and hemodynamic instability, thus raising suspicion of high‐risk acute pulmonary thromboembolism. Prior to the administration of fibrinolytic treatment, a bedside transthoracic echocardiography was performed that excluded right ventricular dilatation. Then, the study was complemented with a thoraco‐abdominal computed tomography scan that demonstrated a large retroperitoneal hematoma as the cause of the shock. In conclusion, a transthoracic echocardiography should be performed before initiating thrombolytic therapy in hemodynamically instable patients with strong suspicion of high‐risk pulmonary embolism.
Novel 1,3‐Benzenedisulfonamides as Antiplatelet Agents: Design, Synthesis, Biological Evaluation, and In Vitro Cytotoxicity Study
Authors: Zhang Zhi‐Hao , Liu Xiu‐Jie , Liu Xu‐Guang
Published: February 2025

1,3‐Benzenedisulfonamide analogues with obvious antiplatelet and cytotoxicity restricted these compounds as candidate drugs. This article modified the side chains of 1,3‐benzenedisulfonamide analogues by introducing less bulky groups substituted with benzene or heterocycles to reduce their toxicity. Target compounds were  synthesized by etherification, chlorosulfonation, and amination reactions. All the derivatives were assessed for their antiplatelet activity effects induced by arachidonic acid and adenosine diphosphate, respectively. The cell toxicity data of six compounds with excellent antiplatelet activity were evaluated，and compound 9a displayed lower cytotoxicity than picotamide in four test concentrations. In addition, 9a was selected to dock with the receptor P2Y12, and each of the synthesized compounds in silico molecular properties were predicted. Comparing the data obtained with other trisubstituted series of 1,3‐benzenedisulfonamides, tetra‐substituted compounds could have obvious antiplatelet activity and low cytotoxicity, and their structural direction is worthy of exploration.
Investigating the Antibacterial and Antitumoral Activities of New Copper(II) Complexes with Trifluoromethyluracil Isomers
Authors: Pereira Gabriele de Menezes , Nunes Julia Helena Bormio , Frajácomo Silmara Cristina Lazarini , Lustri Wilton Rogério , Bergamini Fernando Rodrigues Goulart , Moreira Josélia Cristina de Oliveira , Pontes Robson , Ruiz Ana Lucia T. G. , de Carvalho João Ernesto , Barros Wdeson Pereira , Corbi Pedro Paulo
Published: February 2025

New copper(II) complexes, derived from the isomers 5‐(trifluoromethyl)uracil (L1) and 6‐(trifluoromethyl)uracil (L2) with 2,2′‐bipyridine (Bpy), [Cu(H2O)(L1)2Bpy] and [Cu(H2O)(L2)2Bpy], were synthesized, characterized, and evaluated for their antibacterial and antitumoral properties. Chemical analyses suggest the molecular formula CuC20H12F6N6O4·H2O for both complexes. Infrared spectroscopic analyses indicate that trifluoromethyluracil isomers coordinate to copper(II) by the oxygen atoms. Structural confirmation of the [Cu(H2O)(L2)2Bpy] complex was obtained by single crystal X‐ray diffraction, where two L2 molecules coordinate to the copper(II) ion by both oxygen atoms from carbonyl groups. The complexes demonstrated antibacterial activity against Gram‐positive Staphylococcus aureus and Bacillus cereus, and Gram‐negative Pseudomonas aeruginosa and Escherichia coli strains. The [Cu(H2O)(L1)2Bpy] complex exhibited the most promising results against P. aeruginosa, with a minimum inhibitory concentration (MIC) value of 0.478 mmol L−1. The [Cu(H2O)(L1)2Bpy] complex demonstrated antiproliferative effects on U251 and MCF‐7 cells, with GI50 values (concentration that inhibits 50% of cell growth) of 2.18 ± 1.17 and 16.00 ± 10.07 µmol·L−1, whereas the [Cu(H2O)(L2)2Bpy] complex inhibited the growth of FaDu and U251 cells (GI50 values 4.70 ± 2.69 µmol·L−1 and 9.06 ± 3.86 µmol·L−1, respectively). Neither the precursors nor the copper(II) complexes affected the structure of CT‐DNA at the evaluated concentrations, suggesting that DNA is not the main cellular target of the complexes.
Synthesis of Oxygen‐Rich Edge Functionalized MoS2 and WS2 Quantum Dots for Cell Imaging
Authors: Routh Parimal
Published: February 2025

In the recent years, inexpensive and high‐yield production of metal dichalcogenides quantum dots (QDs) are essential for practical applications. A versatile and eco‐friendly ball milling method has been developed for synthesis of water‐soluble mono layers with oxygen‐rich edge functionalized MoS2 and WS2 QDs. The resultant dichalcogenides QDs have a wide range of solubility in various polar solvents. Our effortless synthesis method leads to very strongly greenish‐blue luminescent QDs. This synthesis technique can create a suitable band gap, i.e., 2.28 eV for MoS2 and 2.83 eV for WS2 QDs from commercially available multilayer bulk precursors. Both QDs exhibited two transition energy points. The fluorescence spectrum showed a wide range of emissions due to polydisperse nature of the QDs. The water soluble and photoluminescence active QDs were used for cell imaging purposes.
Recent Developments in Polymeric Adsorbents for CO2 Capture
Authors: Kaur Jasmine , Singh Sudhir Kumar , Gupta Raj Kumar , Bhunia Haripada , Dubey K. A. , Chaudhari C. V.
Published: February 2025

The increasing reliance on fossil fuels and anthropogenic activities has led to rising CO2 emissions, contributing significantly to global warming. Carbon capture technologies are essential in mitigating these effects, with post combustion CO2 adsorption emerging as a promising technique. The field of polymer is rapidly growing with continuous innovations in polymer science, customisation techniques, and adsorption performance. Moreover, the information is scattered throughout the literature and needs better compilation. This review highlights the developments in polymeric adsorbents over the past decade for CO2 capture. These adsorbents offer greater versatility due to their tunable structures and functional properties. Chemical modification, such as amine functionalization, and increased porosity enhances their CO2 adsorption capacity and selectivity. Due to high amine densities, polymeric amines like PEI, supported on other adsorbents, have shown superior performance. Additionally, waste polymer‐based adsorbents offer the dual benefit of CO2 capture and environmental pollution reduction. By presenting these developments, we illustrate how polymeric materials related innovations drive advancements in sustainable carbon capture technologies.
Exploring Elemental Sulfur‐Solvent Interactions via Density Functional Theory
Authors: Tian Bo , Fan Zhou , Tao Hou , Liu Zhijiang , Zhang Ziyang
Published: February 2025

In order to further develop a comprehensive understanding of the weak interactions between elemental sulfur (S8) and solvent molecules (carbon disulfide(CS2), dimethyl disulfide(DMDS), dimethylformamide(DMF), dimethyl sulfoxide(DMSO)), we have investigated the intermolecular interactions between elemental sulfur and solvents based on density functional theory (DFT). Through electrostatic potential (ESP), frontier molecular orbitals (FMO), independent gradient model based on the hirshfeld (IGMH) analysis, atoms in molecules (AIM) topological analysis, and energy decomposition analysis (EDA), the results show that there are extensive van der Waals interactions between elemental sulfur and solvent molecules. IGMH method, AIM topological analysis and EDA results indicate that van der Waals dispersion attraction is a significant contributor to the total interaction energy of elemental sulfur with the solvent. The combination of various intermolecular non‐bonding forces determines the strength of the interaction between S8 and the solvent. In addition, the difference in the interaction between solvent and elemental sulfur is mainly due to the unsaturated/polar functional group structure. Considering the structural properties of the S8 molecule, avoiding substituents in the solvent molecule that have spatial site‐barrier and electron‐withdrawal effects is a feasible way to develop new efficient sulfur solvent systems.
Site Directed Mutagenesis of the Cyc2 Outer Membrane Protein from Acidithiobacillus ferrooxidans Reveals a Critical Role for Bound Iron Atoms in Extracellular Electron Transfer
Authors: Su Zihang , Chao Zhongmou , Jiang Virginia , Daniel Susan , Banta Scott
Published: February 2025

Extracellular electron transfer (EET) processes by metal respiratory bacteria rely on outer membrane proteins (OMPs) to exchange electrons across the insulating cell membrane. The most studied OMPs from metal reducing bacteria contain multiple sequential heme groups. However, many iron‐oxidizing bacteria, including the industrial bioleaching microbe Acidithiobacillus ferrooxidans, contain monoheme OMPs and the mechanism of electron transfer through these smaller structures has not been elucidated. Computational modeling was previously used to predict two iron ion binding sites in the Cyc2 protein structure from A. ferrooxidans. To determine if these binding sites are critical for protein function, the monoheme Cyc2 OMP from A. ferrooxidans is recombinantly expressed in E. coli outer membrane vesicles (OMVs) which are then incorporated into biomimetic cell‐membrane supported lipid bilayers (SLB) on electrodes to measure electron transfer. Site‐directed mutagenesis is used to disrupt the putative ion binding sites predicted from modeling to elucidate the mechanism. It is confirmed that the Cyc2 protein is capable of EET without the need for soluble iron or other accessory proteins. These results confirm the critical role of bound metal ions in the A. ferrooxidans EET mechanism, and it is expected that homologous monoheme OMPs will have similar conduction pathways.
Instantaneous Self‐Healing Chitosan Hydrogels with Enhanced Drug Leakage Resistance for Infected Stretchable Wounds Healing
Authors: Li Jiajia , Du Chen , Yang Xiaoping , Yao Yingxia , Qin Di , Meng Fanhu , Yang Shuangshuang , Tan Yi , Chen Xiguang , Jiang Wenqing , Liu Ya
Published: February 2025

Self‐healing hydrogels are intelligent wound dressings to repair structural damage caused by limb movement, demonstrating advantages in stretchable wound management. Chitosan is widely used in the preparation of hydrogels due to the biocompatibility and biodegradability. However, the self‐healing efficiency and mechanical strength of chitosan hydrogels are not ideal. To address the issues, three self‐healing hydrogels: the single schiff base network hydrogels (OH), the double schiff‐base bond network hydrogel (OHD), and borate ester bond/schiff base bond (OHPB) are designed. The self‐healing time of OHPB is only 0.7 s measured by real‐time electrochemical test, while the self‐healing time of OH and OHD is 3.5 h and 1.5 h. Furthermore, OHPB hydrogel exhibits the desirable mechanical strength and tissue adhesion. Following the destruction‐repair process, CIP and exosome loaded OHPB (ec⊂OHPB) hydrogel displays approximate 100% drug leakage resistance to achieve long‐term antibacterial, cells migration promotion and M2 polarization. ec⊂OHPB hydrogel significantly accelerates infected stretchable wounds healing by relieving inflammation, facilitating angiogenesis and collagen deposition, promoting epidermal remodeling. Consequently, OHPB hydrogel with instantaneous self‐healing property and enhanced drug leakage resistance performance makes it possible to broaden the application prospects of chitosan hydrogel dressings.
EU-verfassungs- und wettbewerbsrechtlicher Rahmen der Regulierung digitaler Geschäftsmodelle
Authors: Müller Thomas
Published: February 2025

Der vorliegende Beitrag nimmt den EU-verfassungs- und wettbewerbsrechtlichen Rahmen für digitale Geschäftsmodelle, insb. in Bezug auf die aktuelle Regulierung von Kryptowerten (Web 3), digitalen Märkten (DMA) und digitalen Zentralbankwährungen in den Blick. Maßstab der Analyse sind die kompetenzrechtlichen, grundrechtlichen und wettbewerbsrechtlichen Vorgaben des EU-Primärrechts. Der Beitrag kommt zu dem Ergebnis, dass einerseits der verfassungsrechtliche Rahmen gut dazu geeignet ist, die regulatorischen Herausforderungen digitaler Geschäftsmodelle auf europäischer Ebene zu bewältigen und eine übermäßige Regulierung oder Ungleichbehandlungen zwischen neuen und alten (digitalen) Geschäftsmodellen zu verhindern. Andererseits erscheinen die aktuellen Regulierungsbestrebungen selbst weitgehend im Einklang mit den primärrechtlichen Rahmenbedingungen zu stehen.
A cosmological solution to the doublet-triplet splitting problem
Authors: Csáki Csaba , D’Agnolo Raffaele Tito , Kuflik Eric , Sesma Pablo
Published: February 2025

Abstract

We propose a model that provides a simultaneous solution to the doublet-triplet splitting problem of grand unified theories, the electroweak hierarchy problem and the strong CP problem. The mechanism is based on the dynamics of two axion-like particles that would crunch the universe at the time of the QCD phase transition if triplets were light or had a VEV or if doublets were heavy or did not have a VEV. The only trace left at low energies are these two axion-like particles. They are weakly coupled to the Standard Model and could be detected at upcoming axion experiments or by a combination of neutron EDM measurements and the astrophysical detection of fuzzy dark matter.
Extracting quadratic propagators by refined graphic rule
Authors: Xie Chongsi , Du Yi-Jian
Published: February 2025

Abstract

One-loop integrands in Cachazo-He-Yuan (CHY) formula, which is based on the forward limit of tree-level amplitudes, involves linear propagators that are different from quadratic ones in traditional Feynman diagrams. In this paper, we provide a general approach to converting linear propagators in one-loop CHY formula into quadratic propagators, by refined graphic rule stemming from the recursive expansion of tree-level Einstein-Yang-Mills amplitudes. Particularly, we establish the correspondence between refined graphs and bi-adjoint scalar (BS) Feynman diagrams with linear propagators. Using this correspondence and graph-based relations of Berends-Giele currents in BS theory, the nonlocal terms accompanied by refined graphs can either be canceled out or be collected into local ones. Once the locality has been achieved, the integrand with linear propagators can be directly arranged into that with quadratic propagators. Following this approach, we first convert the linear propagators in single-trace Yang-Mills-scalar (YMS) integrands (with a pure-scalar loop) into quadratic ones. This result is then demonstrated to match the traditional one-loop Feynman diagrams. The discussions on single-trace YMS integrands are generalized to multi-trace YMS and Yang-Mills integrands.
Extending certified spectral fluorescence standards for the calibration and performance validation of fluorescence instruments to the NIR—closing the gap from 750 to 940 nm with two novel NIR dyes
Authors: Richter M. , Güttler A. , Pauli J. , Vogel K. , Homann C. , Würth C. , Resch-Genger U.
Published: February 2025

Fluorescence techniques such as fluorescence spectroscopy, microfluorometry, and fluorescence microscopy, providing spectral, intensity, polarization, and lifetime information, are amongst the most broadly utilized analytical methods in the life and materials sciences. However, the measured fluorescence data contain sample- and instrument-specific contributions, which hamper their comparability across instruments and laboratories. Comparable, instrument-independent fluorescence data require the determination of the fluorescence instrument’s wavelength-dependent spectral responsivity, also termed emission correction curve, for the same instrument settings as those used for the fluorescence measurements as a prerequisite for the subsequent correction of the measured instrument-specific data. Such a spectral correction is essential for the performance comparison of different fluorescent labels and reporters, quantitative fluorescence measurements, the determination of the fluorescence quantum yield, and the spectroscopic measure for the fluorescence efficiency of a fluorophore. Simple-to-use tools for obtaining emission correction curves are chromophore-based reference materials (RMs), referred to as fluorescence standards, with precisely known, preferably certified instrument-independent fluorescence spectra. However, for the increasingly used near-infrared (NIR) wavelength region >700 nm, at present, no spectral fluorescence standards are available. To close this gap, we developed two novel spectral fluorescence standards, BAM F007 and BAM-F009, with broad emission bands from about 580 to 940 nm in ethanolic solution. These liquid fluorescence standards currently under certification, which will be released in 2025, will expand the wavelength range of the already available certified Calibration Kit BAM F001b-F005b from about 300–730 to 940 nm. In this research article, we will detail the criteria utilized for dye and matrix selection and the homogeneity and stability tests accompanying dye certification as well as the calculation of the wavelength-dependent uncertainty budgets of the emission spectra BAM F007 and BAM-F009, determined with the traceably calibrated BAM reference spectrofluorometer. These fluorescence standards can provide the basis for comparable fluorescence measurements in the ultraviolet, visible, and NIR for the fluorescence community.
Changes in Non-invasive Myocardial Stroke Work Related to Variation in Pacing Sites and Heart Rates in Adolescents
Authors: Baskar Shankar , Ta Hieu T. , Spar David S. , Czosek Richard J. , Ollberding Nicholas J. , Tretter Justin T.
Published: February 2025

Non-invasive assessment of myocardial work is a newly described technique to assess myocardial energetics. This has not been previously studied to assess the effects of right ventricular pacing at different sites or at different heart rates in children. We aimed to study the effects of right ventricular apical, septal, and His bundle pacing on myocardial work along with the effects of increasing heart rate. This was a prospective pilot study performed on six patients with structurally normal hearts and function following an electrophysiology study. Global work index and global work efficiency was highest during His pacing and lowest during right ventricular apical pacing. The global constructive work, index, and efficiency were progressively worse with increasing heart rates. In this prospective pilot study, we demonstrated that myocardial work indices differ depending on myocardial activation pattern and at different heart rates in pediatric patients. Myocardial performance as assessed by myocardial work efficiency is worse when pacing is performed at the right ventricular apex when compared to His and right ventricular septal pacing. Myocardial performance can be affected by higher heart rates, following a work–frequency relationship.
The role of PSMA-based radioligand therapy in hormone-sensitive prostate cancer
Authors: Laudicella Riccardo , Bauckneht Matteo , Burger Irene A , Cacciola Alberto , Fanti Stefano , Farolfi Andrea , Ficarra Vincenzo , Iagaru Andrei , Liberini Virginia , Pergolizzi Stefano , Santo Giulia , Virgolini Irene , Minutoli Fabio , Baldari Sergio
Published: February 2025

Purpose

Conventional systemic therapies are valuable options in prostate cancer (PCa); however, such treatments can determine adverse events and toxicity. The observed improvement in overall survival, coupled with PSA reduction and a favorable safety profile in the post-taxane castration-resistant PCa (CRPC) setting has prompted the consideration of PSMA-based radioligand therapy (RLT) earlier in the treatment sequence. In this review, we will describe the literature and ongoing clinical trials regarding the use of PSMA-based RLT in hormone-sensitive PCa (HSPC) including the neoadjuvant, de-novo/synchronous metastatic, adjuvant, and early BCR settings.

Methods

We performed a systematic literature search on the PubMed/MEDLINE/EMBASE and clinicaltrials.gov databases for studies and protocols assessing the role of PSMA-based RLT in HSPC.

Results

The literature search yielded 140 results. After screening titles and abstracts and applying inclusion and exclusion criteria, we selected 25 papers showing the potentialities of earlier RLT in HSPC, with several ongoing trials.

Conclusion

Early use of PSMA-based RLT holds significant potential in HSPC patients from the neoadjuvant to the BCR setting. In these stages, the lower tumor burden, more frequent exclusive nodal involvement, and higher organ reserve may improve treatment efficacy and allow for treatment combinations while maintaining a less toxic profile.
The Effect of the Maxillary Sinus Volume on the Morphology and Angulation of the Infraorbital Canal in Relation to Age and Gender
Authors: Açar Gülay , Gökşan Ahmet Safa , Magat Guldane
Published: February 2025

Background

Although the infraorbital canal (IOC) and maxillary sinus (MS) have been well studied, understanding the effect of MS volume (MSV) on IOC morphology is critical in determining the safest surgical route for infraorbital depression and transmaxillary procedures.

Objectives

We aimed to describe the IOC types, measure the MSV and IOC angles (IOCA) in all three planes, and analyse the relationship between them using three-dimensional (3D) cone beam computed tomography (CBCT) images.

Methods

CBCT images of 280 patients were analysed to identify the IOC types and accessory IOC (IOCa), and to measure morphometric parameters. The relationship between them was examined using statistical analysis in relation to age, gender, and laterality.

Results

The most common IOC type was Type I (59.6%), followed by Type II (21.8%), Type III (13.6%), and Type IV (5%). According to MSV, three types of MS were described, with 38.2, 34.6, and 27.2% having normal, hypoplastic, and hyperplastic MS, respectively. Also, hyperplastic MS was associated with the highest likelihood of Type III IOC. Furthermore, logistic regression model revealed that the MSV and IOCA3 had a positive significant effect on the IOC protrusion, whereas being female, increasing age and IOCA1 had a negative significant effect on MS pneumatization. The probability of having hyperplastic MS, Types II and III IOC, IOCa also decreased with increasing age.

Conclusions

Using 3D technology, the results of this study provide a detailed classification of IOC and MS types, increasing the number of treatment options and reducing the risk of complications during surgery.

Level of Evidence IV

This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266.
Clinical importance of incisional hernia in patients resected for colorectal liver metastases: quality of life and abdominal wall symptoms
Authors: Holka Peter Strandberg , Lindell Gert , Tingstedt Bobby , Sturesson Christian
Published: February 2025

Purpose

Incisional hernia (IH) after open liver surgery is a well-recognized complication. The clinical importance of IH detected on computed tomography in terms of objective abdominal wall discomfort and impairment of quality of life (QoL) is less well known.

Methods

Patients who underwent curative surgery for colorectal liver metastases between 2010 and 2015 at a single center and were alive in February 2017 were asked to complete a ventral hernia pain questionnaire and the EORTC QLQ-C30 QoL questionnaire.

Results

A total of 105 patients (80%) completed the questionnaires. Forty-three patients (42%) developed IH. The majority (77%) of IHs were < 2.5 cm. Patients who had an IH before liver surgery developed a new IH to a greater extent (P = 0.001). There were no significant differences regarding abdominal wall symptoms and QoL between patients with and without IH. However, about half (48%) of all patients had abdominal wall symptoms after a median follow-up of 34 months.

Conclusion

Radiologically detected IH after open liver surgery has low clinical importance. About half of all patients who underwent liver surgery experienced abdominal wall symptoms a long after surgery, but these symptoms were not related to IH.
Early assessment of clinical complexity and home care in patients affected by trisomy 13 and 18
Authors: Zanin Anna , Patti Matteo , Rosato Isabella , Divisic Antuan , Rusalen Francesca , Maghini Irene , Agosto Caterina , Benini Franca
Published: February 2025

Purpose

Trisomy 13 and 18 consist of a recurrent pattern of multiple congenital anomalies. The aim of this study was to analyze the clinical characteristics and disease trajectory of a cohort of children with trisomy 13 and 18 followed up by an Italian pediatric palliative care service.

Methods

A single-center retrospective observational study was conducted examining the medical records of patients with trisomy 13 and 18 seen in the Pediatric Palliatives Care (PPC) center of the University Hospital of Padua from 2007 to 2022.

Results

Seventeen patients were included in the analysis. All were born alive; four children are still alive and only three (23%) died at home. All presented high care complexity, as estimated by ACCAPED index (median 86, range 38–129). The median time to receive care from PPC was 3 months (0–108). All patients’ parents shared an advance care plan with the PPC team: 13/17 patients (76%) accepted a do not resuscitate (DNR) order. Approximately 12% of patients received at least one surgery. The trend of survival compared with other cohorts reported in the literature does not appear to differ significantly after the initial stages.

Conclusions

The possible recognition of an early evolution toward medical complexity and the availability of home care resources and programs are crucial factors in the management of these children. These indices could become a driving factor in the definition of new outcomes that are more patient-oriented, in addition to mortality.

What is known:
• Trisomy 13 and 18 are serious genetic conditions with high mortality rates. In the last years medical interventions including surgery are being offered more frequently, though the appropriateness of these interventions is still debated.
What is new:
• The study emphasizes the crucial role of early referral to specialized pediatric palliative care teams and the coordination they provide enabling families to care for their children at home, even with complex medical needs.
Survivorship care plan utilization in Australia and New Zealand: survivors’, parents’ and healthcare providers’ perspectives
Authors: Hill Rebecca E. , Fardell Joanna E. , Mercieca-Bebber Rebecca , Wakefield Claire E. , Signorelli Christina , Webber Kate , Johnston Karen A. , Cohn Richard J.
Published: February 2025

Purpose

As part of survivorship care, many health authorities recommend survivorship care plans (SCPs). The aim of this study was to understand survivors’ SCP receipt and use, clinical/demographic factors associated with use, and providers’ SCP practices.

Methods

We surveyed Australian and New Zealand survivors of adult and childhood cancer (including parent proxies for survivors aged < 16 years). We fitted binomial logistic regression models to examine the relationship between survivors’ clinical and sociodemographic characteristics, and SCP receipt. We also surveyed oncology health providers regarding current SCP provision practices, perceived receipt, and usefulness.

Results

We recruited 1123 cancer survivors (499 adult cancer survivors and 624 childhood cancer survivors, including 222 parent proxies) and 21 healthcare providers. 10.7% of adult and 22.0% of childhood cancer survivors recalled receiving SCPs. SCP receipt was more likely for adult cancer survivors diagnosed with prostate cancer, low-risk cancer diagnoses and older at study participation, and childhood cancer survivors treated with chemotherapy or younger at study participation. Across both groups, a higher level of education attainment was predictive of SCP use. Most healthcare providers estimated that < 15% of adult and > 75% of childhood cancer survivors received SCPs.

Conclusions

Few survivors of adult or childhood cancer reported receiving a SCP, and there were sociodemographic and clinical differences in those who did and did not receive and use their SCP. SCP recipients used and valued them, but healthcare providers indicated potential areas for improvement with SCP provision. Consideration may be needed regarding SCP format, presentation and content.
Central venous access device management for children undergoing treatment for blood disorders and cancer: a descriptive international cross-sectional survey
Authors: Hyun Areum , Takashima Mari D. , de Souza Sabrina , Gibson Victoria , Silva Thiago Lopes , Rocha Patricia Kuerten , Vetcho Siriporn , Ullman Amanda J.
Published: February 2025

Purpose

This study aimed to explore current central vascular access device (CVAD) management practices in pediatric cancer care globally and compare practices across high-income and middle-income (i.e., upper middle-income and lower middle-income) countries.

Methods

A descriptive cross-sectional international survey was conducted between May 2022 and December 2023. Clinicians involved in CVAD insertion/management for pediatric cancer patients were invited to participate through established clinical networks globally. The survey covered CVAD management practices, including dressings, securements, routine care, and maintenance procedures.

Results

A total of 220 responses from 42 countries were received. Polyurethane dressings were most commonly used across all CVAD types (55–65/34.2–40.4). Bordered dressings were the primary securement method for all CVAD types (69–96/161, 42.9–59.6%). Routine practices varied, with 31/102 (30.4%) assessing CVADs hourly during infusion in high-income countries and 22 (37.3%) assessing every shift in middle-income countries. Heparin and normal saline were the commonly used solutions for flushing and locking. Chlorhexidine 2% in 70% alcohol was the predominant decontamination solution in high-income countries (64/102, 62.8%), while alcohol was more common in middle-income countries (22/59, 37.3%). Differences were observed between high-income and middle-income countries in the types of dressings, securements, and maintenance practices used.

Conclusion

This study revealed significant variability in CVAD management practices for pediatric cancer care globally, particularly between high-income and middle-income countries. These findings highlight the need for standardized, evidence-based guidelines considering resource availability and contextual factors to improve CVAD management in pediatric oncology across diverse healthcare settings.
Multiplexed detection of respiratory virus RNA using optical pH sensors and injection-molded centrifugal microfluidics
Authors: Suarez Gianmarco Domenico , Tang Yuki Yu Kiu , Bayer Steevanson , Cheung Peter Pak-Hang , Nagl Stefan
Published: February 2025

The application is demonstrated of injection-molded centrifugal microfluidic chips with integrated optical pH sensors for multiplexed detection of respiratory syndrome coronavirus 2 (SARS-CoV-2), influenza A, and influenza B RNA. The optical pH sensors generated sensitive fluorescent readouts from diagnostic reverse transcription loop-mediated isothermal amplification (RT-LAMP) reactions; limits of detection for influenzas A and B, and SARS-CoV-2 of 89, 245, and 38 RNA copies per reaction, respectively, were attained. Results were obtainable within 44 min for SARS-CoV-2 and influenza A, and 48 min for influenza B. We implemented a data processing strategy based on numerical derivatives of the fluorescence curves that allowed for reliable, quantitative thresholds for deciding reaction outcomes and enabled 100% specificity. This work demonstrates the utility of optical pH sensors and injection-molded centrifugal microfluidics for multiplexed infectious disease diagnostics with point-of-care applications.

Graphical Abstract
Two-stage surgical strategy for extensive craniofacial fibrous dysplasia with cerebral compression
Authors: Pasquini Ludovica , Biswas Chandrima , Zachariah Marcus , Prevedello Daniel M.
Published: February 2025

Background

The management of extensive craniofacial fibrous dysplasia requires balancing the extent of resection with the perioperative morbidity and complications.

Method

The authors describe a case involving the resection of extensive craniofacial fibrous dysplasia performed in two stages. The first surgery aims on removing most of the lesion and planning for bony reconstruction, while the second stage focuses to complete disease removal and implant a custom-made prosthesis.

Conclusion

This case highlights the benefits of a two-stage surgical approach in reducing morbidity compared to a single extensive surgery while achieving excellent disease resection and functional outcomes.
Improve communication of accessibility web barriers with an empathetic perspective to enhance the accessible user experience (AUX)
Authors: Pascual-Almenara Afra , Granollers Saltiveri Toni
Published: February 2025

A prototype is presented featuring accessible and non-accessible web elements, formalized within a dynamic web context. The outcome is a system that empathetically communicates the impact of accessibility barriers on users with disabilities. The system aims to convey messages through the perspective of people with disabilities so that prosumer users—those who produce and consume web content—foster an understanding of the necessity to integrate accessibility features into their web content. This work is an initial proposal about understanding web accessibility guidelines beyond the WCAG documentation, to show non-technical users an understanding of web access barriers from an empathetic perspective and investigates the accessible user experience. It is crucial to note that achieving web accessibility involves not only complying with WCAG guidelines, but also considering various aspects to ensure people with disabilities have an accessible user experience on the web.
Temporal changes in parameters associated with tear film stability after instillation of long-acting diquafosol ophthalmic solution in soft contact lens wearers
Authors: Itokawa Takashi , Suzuki Takashi , Iwashita Hiroko , Okajima Yukinobu , Kakisu Koji , Hori Yuichi
Published: February 2025

Purpose

To investigate temporal changes in parameters associated with tear film stability after instillation of long-acting 3% diquafosol ophthalmic solution (DQS LX), which contains polyvinylpyrrolidone.

Study Design

Prospective crossover study design.

Methods

We enrolled 23 eyes of 23 soft contact lens (SCL) wearers (aged 25.3 ± 4.4 years). One-day disposable silicone hydrogel lenses (narafilcon A) were used in this study. DQS LX was instilled without a SCL on the first day. On the other two days, subjects received DQS or DQS LX at 7 h after wearing SCLs. Tear meniscus height (TMH), non-invasive tear break-up time (NIBUT) and ocular surface temperature (OST) were measured before and at 5, 15, 30, 45, 60, 80 and 120 min after instillation.

Results

When not wearing SCLs, DQS LX instillation significantly improved TMH for up to 120 min and NIBUT for up to 80 min. When wearing SCLs, DQS and DQS LX instillation significantly increased TMH for up to 45 and 80 min, and NIBUT for up to 15 and 30 min. Compared to DQS, DQS LX administration resulted in a significantly higher TMH at 5, 60 and 80 min, as well as a significantly prolonged NIBUT at 5 and 60 min. OST with and without SCLs also varied depending on the changes in the parameters associated with tear film stability.

Conclusion

Compared to DQS, when wearing SCLs, DQS LX was found to increase the amount of tear fluid and improve tear film stability for longer periods.
Neglected predatory insects trigger potential Key Biodiversity Areas in threatened coastal habitats
Authors: Ascenzi Aleida , Nania Dario , Cristiano Andrea , Badano Davide , Pacifici Michela , Cerretti Pierfilippo
Published: February 2025

Key Biodiversity Areas (KBAs) have the potential to become a powerful tool for identifying regions that host unique biodiversity. With their great diversity, insects hold significant potential as indicators for global KBA mapping, even in highly specialized and narrowly distributed habitats. For instance, species adapted to fragmented ecosystems like coastal sand dunes—among the most heavily impacted habitats worldwide—can serve as critical indicators to trigger KBAs in these fragile environments. Despite their relevance as indicators, the inclusion of insects in KBA assessments remains limited, particularly for less-studied insect groups, whose distribution data is often fragmented and affected by taxonomic uncertainties. We tested selected KBA criteria on 26 antlion and owlfly species (Neuroptera: Myrmeleontidae) in Italy, including dune specialists, and performed a barcode gap analysis based on cytochrome c oxidase subunit 1 mitochondrial marker (COI) to identify potential misidentifications, which could compromise the robustness of KBA assessments. Several endemic and dune specialist species trigger potential KBAs, showing limited (< 20% of their extent) overlap with the current protected area network, confirming the great value of these taxa in narrowly distributed habitats. We advise for the integration of both spatial and genetic data to increase accuracy of potential Key Biodiversity Areas assessments using neglected insect taxa.
Catalytic Hydrodesulfurization of Thiophene, Dibenzothiophene and 4,6-Dimethyldibenzothiophene on a CoMoS Catalyst
Authors: Prabhu M. K. , Louwen J. N. , Vogt E. T. C. , Groot I. M. N.
Published: February 2025

Previous studies have employed density functional theory (DFT) modeling to investigate hydrodesulfurization (HDS) pathways for heavy aromatic sulfides, typically focusing on hydrogenation to assist in C-S bond cleavage on both pristine and promoted MoS₂ catalysts. These investigations, which primarily examine the reduced Mo- and sulfur-terminated edges of MoS₂ slabs, generally categorize the reaction pathways into two types: direct desulfurization (DDS) and hydrogenation-desulfurization (HYD). Traditionally, these models assume that C-S bond cleavage occurs through interactions with edge sulfur atoms, with less attention given to the role of promoter metals like Co. However, our recent work indicates that Co atoms on the S-edges of MoS₂ slabs may play a crucial role in activating and dissociating C-S bonds, particularly through an α-carbon transfer. This process has been identified as key in the desulfurization of small thiols like methanethiol, prompting further investigation into its relevance for aromatic thiols such as thiophene, dibenzothiophene (DBT), and 4,6-dimethyldibenzothiophene (DMDBT). In the DFT calculations presented in this article, we demonstrate that the activation barrier for C-S bond cleavage to Co remains consistent at 1.0-1.1 eV/atom for the unsubstituted aromatic sulfides with a higher 1.67 eV for DMDBT. This oxidative addition mechanism of Co is strongly favored by the presence of dissociated hydrogen on adjacent sites and the aromatic nature of the molecule being desulfurized, while self-desulfurization through this pathway is found to be unfavorable. Our findings provide new insights into the chemistry of promoter atoms in the HDS of heavy aromatic sulfides.

Graphical Abstract
Phasing out payroll tax subsidies
Authors: Herget Anna , Riphahn Regina T.
Published: February 2025

Many countries subsidize low-income employments or small jobs. These subsidies and their phasing out can generate labor market frictions and distort incentives. The German Minijob program subsidizes low-income jobs. It generates a ‘Minijob trap’ with substantial bunching along the earnings distribution. Since 2003, the newly introduced Midijob subsidy aims to reduce the Minijob-induced notch in the net earnings distribution. Midijobs reduce payroll taxes for employments above the Minijob earnings ceiling. We investigate whether introducing Midijobs reduced the Minijob trap. We apply a regression discontinuity design using administrative data and a difference-in-differences estimation using survey data. While in both cases our results show a small positive overall effect of Midijobs on transitions out of Minijobs, they are effective only for a narrow treatment group.
Changes in Pregabalin Dispensing to Australians with Workers’ Compensation Claims for Low Back Pain Following the Listing of Pregabalin on the Pharmaceutical Benefits Scheme
Authors: Di Donato Michael F. , Abdel Shaheed Christina , Collie Alex , Maher Christopher G. , Mathieson Stephanie
Published: February 2025

Objectives

We sought to identify whether the inclusion of pregabalin on the list of medicines subsidised by the Australian government in 2013 resulted in changes to the dispensing of pregabalin to Australians with workers’ compensation claims for low back pain.

Methods

Using a sample of workers’ compensation claims and payments data (2010–2018), we measured the prevalence of pregabalin dispensing and time to first pregabalin dispensing in workers whose claim began before, during or after pregabalin was listed on the Pharmaceutical Benefits Scheme (PBS) with binary logistic and Cox proportional hazards models. We used interrupted time-series analyses to measure changes in the monthly number, percentage of pain medicines, percentage of gabapentinoid dispensings, and median cost per dispensing of pregabalin.

Results

Of the 17,689 workers included in the study, 13.7% (n = 2431) were dispensed pregabalin during the study period. Workers in the groups whose claim occurred before or during when pregabalin was listed on the PBS were at significantly lower odds of being dispensed pregabalin than the group whose claim began after PBS listing (OR 0.20, 99% CI 0.15, 0.25 and OR 0.40, 99% CI 0.33, 0.48, respectively). There were significant step increases in the number of pregabalin dispensings (26.3%, 99% CI 6.2%, 50.3%), percentage of pain medicines that were pregabalin (29.3%, 99% CI 1.5%, 64.9%), and percentage of gabapentinoid dispensings that were pregabalin (13.9%, 99% CI 7.5%, 20.6%). There was a significant step decrease in the median cost per pregabalin dispensing (− 61.8%, 99% CI − 66.8%, − 56.1%).

Conclusion

Listing pregabalin on the PBS saw significant increases in the prevalence, number and percentage of pain medicines, and significant decreases in time to first pregabalin dispensing and cost.
The genus Valeriana L.: ethnopharmacology, phytochemistry and biological activities—an updated review
Authors: Çelik Cansel , Kırmızıbekmez Hasan
Published: February 2025

The genus Valeriana L. is a large genus with its 436 accepted species distributed all over the world. Some members of the genus have been utilized in different folk medicines to cure many diseases especially anxiety, sleep disorders and epilepsy since remote times. Pharmacological studies on the extracts prepared mostly from below ground parts of some Valeriana species mainly from V. officinalis, V. jatamansi, and V. amurensis revealed their diverse bioactivities including, anxiolytic, antidepressant, anticonvulsant, anti-inflammatory, cytotoxic, and anticancer activities. Many secondary metabolites have been isolated and characterized from several Valeriana species that belong to mainly iridoid, sesquiterpene, lignan, flavonoid chemical classes. Bioactivity studies on the isolated iridoids, sesquiterpenes, and lignans derived from these species possess significant biological activities such as cytotoxic, anticancer, anti-inflammatory, neuroprotective, and antiviral activities. This comprehensive review aims to provide an overview of the traditional use and phytochemical composition of Valeriana species as well as the very recent bioactivities of secondary metabolites derived from these species. Recent in vitro, in vivo, and clinical studies are reviewed and discussed, particularly focusing on cytotoxic, anti-inflammatory, neuroprotective, and anti-viral activities of the isolated compounds from Valeriana species. Among the secondary metabolites, especially iridoids, sesquiterpenes, and lignans seem to be the compounds that are responsible for the pharmacological activities of extracts. Although promising results were reported for some secondary metabolites in in vitro studies, it is essential to perform in vivo and even clinical studies in order to discover new potential drug leads from this genus.