bluuebunny/crossref_metadata_2025 huggingface dataset:
Outcomes of patients treated with chemotherapy for breast cancer during pregnancy compared with nonpregnant breast cancer patients treated with systemic therapy
Authors: Johnson Helen M. , Song Juhee , Warneke Carla L. , Martinez Ashley L. , Litton Jennifer K. , Oke Oluchi C.
Published: October 2024

Introduction

Prior studies of patients treated for breast cancer during pregnancy (PrBC) report mixed outcomes and are limited by substandard treatment, small cohorts, and short follow‐up. This study compared survival outcomes of PrBC patients treated with chemotherapy during pregnancy with nonpregnant patients matched by age, year of diagnosis, stage, and subtype.

Methods

PrBC patients treated from 1989 to 2022 on prospective institutional protocols were eligible. Disease‐free survival (DFS), overall survival (OS), and progression‐free survival (PFS) were estimated using the Kaplan–Meier method and multivariable Cox proportional hazards regression.

Results

Among 143 PrBC and 285 nonpregnant patients, median follow‐up was 11.4 years. Survival differences were statistically significant, with median DFS and OS not attained for PrBC patients versus 5.6 years (95% confidence interval [CI], 3.6–15.4; p = .0001) and 19.3 years (95% CI, 14.1–not estimated; p = .0262) for nonpregnant patients, respectively. Median PFS was 24.1 years (95% CI, 15.8–not estimated) for PrBC patients versus 8.4 years (95% CI, 6.4–10.9) for the nonpregnant cohort (p = .0008). Study cohort was associated with DFS, PFS, and OS in multivariable analyses, with the nonpregnant cohort having increased risks of disease recurrence (hazard ratio [HR], 1.91; 95% CI, 1.33–2.76; p = .0005) and disease progression or death (HR, 1.68; 95% CI, 1.19–2.39; p = .0035), and shorter OS (HR, 1.52; 95% CI, 1.01–2.29; p = .0442).

Conclusion

These data suggest that PrBC patients treated with chemotherapy during pregnancy have at least comparable, if not superior, outcomes than nonpregnant patients with similar age, cancer stage, and subtype. Analyses excluding patients with postpartum breast cancer were unable to be performed and are a priority for future confirmatory studies.
PREPRINT Machine Learning for the Sensitivity Analysis of a Model of the Cellular Uptake of Nanoparticles for the Treatment of Cancer
Authors: Iaquinta Sarah , Khazaie Shahram , Albanna Samer , Fréour Sylvain , Jacquemin Frédéric
Published: October 2024

Experimental studies on the cellular uptake of nanoparticles (NPs), useful for the investigation of NP‐based drug delivery systems, are often difficult to interpret due to the large number of parameters that can contribute to the phenomenon. It is therefore of great interest to identify insignificant parameters to reduce the number of variables used for the design of experiments. In this work, a model of the wrapping of elliptical NPs by the cell membrane is used to compare the influence of the aspect ratio of the NP, the membrane tension, the NP–membrane adhesion, and its variation during the interaction with the NP on the equilibrium state of the wrapping process. Several surrogate models, such as Kriging, Polynomial Chaos Expansion (PCE), and artificial neural networks (ANN) have been built and compared to emulate the computationally expensive model. Only the ANN‐based model outperformed the other approaches by providing much better predictivity metrics and could therefore be used to compute the sensitivity indices. Our results showed that the NP's aspect ratio, the initial NP–membrane adhesion, the membrane tension, and the delay for the increase of the NP–membrane adhesion after receptor dynamics are the main contributors to the cellular internalization of the NP, while the influence of other parameters is negligible.
The development of the CIECAM16 and visualization of its domain and range
Authors: Gao Cheng , Xiao Kaida , Pointer Mike , Li Changjun
Published: October 2024

In 2022, CIE recommend the CIECAM16 color appearance model to replace the current CIECAM02 model for color management systems. In this paper we will report on how CIECAM16 was developed, describe the differences between CIECAM16 and CIECAM02, describe the phenomena CIECAM16 can predict, and show the performance of CIECAM16 in the prediction of perceptual color attributes. We will then discuss the numerical determination of the domain and range of the CIECAM16 forward transformation. Finally, the domain and ranges in various conditions are visualized. CIECAM16 is capable of the accurate prediction of color appearance under a wide range of viewing conditions and with the domain and range problems now solved, it can be effectively applied to cross‐media color image reproduction. It can also be used to estimate the color rendering properties of light sources and for the establishment of a uniform color space for color difference evaluation.
The Aromaticity of Osmapentalenes Derivatives – An Analysis Based on Electron‐Delocalization Indices
Authors: Grande‐Aztazi Rafael , Matito Eduard , Ugalde Jesus M. , Mercero Jose M.
Published: October 2024

A systematic investigation of the aromatic features of the electronic structures of a family of recently synthesized osmapentalene derivatives has been carried by means of indices derived from the calculated one‐electron density matrix of the corresponding geometry optimized compounds, and complemented by the analysis of the valence molecular orbitals and the delocalized bonding units emerging from the adaptive natural density partitioning method. The calculated delocalization indices between consecutive atom pairs, and normalized multicenter indices are very suggestive of the aromatic character of the equatorial fused carbon rings (except triangular ones) for all the members of the family. Since the electron‐delocalization based indices allow precise quantification of the aromaticity, differences of the aromatic character among the various members have also been highlighted, and have been found to be consistent with the magnetic based criteria indices reported earlier. Finally, the valence molecular orbitals along with the delocalized bonding units of the adaptive natural density partitioning indicate that the aromaticity of these compounds is sustained by either 10 or 14 π electrons, which satisfy the Hückel aromatic electron counting rule.
Machine Learning‐Guided Prediction of Hydroformylation
Authors: Shi Haonan , Shen Chaoren , Huang Zheng , Dong Kaiwu
Published: October 2024

A holistic model for predicting yield and linear selectivity for the hydroformylation of 1‐octene was developed by machine learning using the experimental data collected from literatures. Physical organic chemistry (POC) parameter‐based descriptors were adopted to represent pre‐catalyst molecular features. Machine learning models trained respectively by Random Forests (RF) and Extreme Gradient Boost (XGBoost) algorithm showed remarkable performance on predicting linear selectivity. The method can also comprehensively map the correlation between reaction conditions and the results. The accuracy of the prediction results was verified by experimental data.
Correlation Between Voltammetry of Immobilized Particles and Mott‐Schottky Analysis of Metal Corrosion Patinas
Authors: Porcaro Marta , Sanz‐Abad Miguel , Michetti Laura , Conti Alessandro , De Vito Caterina , Teresa Doménech‐Carbó María , Doménech‐Carbó Antonio
Published: October 2024

The conjoint application of the voltammetry of immobilized particles (VIMP) methodology and the Mott‐Schottky analysis (MS) of impedance data to studying metal corrosion patinas is described. The study is applied to copper and bronze objects exploiting the semiconducting character of cuprite and other copper corrosion products. A simplified theoretical modeling of MS analysis at microparticulate deposits extracted from metal corrosion layers attached to graphite electrodes is provided. The proposed model compensates for the disturbing effect of the regions of the basal electrode directly exposed to the electrolyte. Alternative models accounting for the variation of the density of charge carriers with depth are tested as well as the correlation between VIMP and MS data with reasonably satisfactory results.
Zn‐Doped Hollow Cubic MnO2 as a High‐Performance Cathode Material for Zn Ion Batteries
Authors: Li Guangming , Yu Wenjie , Diao Qiqi , Zhang Yutong , Tang Fen , Luo Xinlong , Yan Liting , Zhao Xuebo , Li Guangda
Published: October 2024

Manganese‐based compounds have the characteristics of high theoretical capacity, low cost and stable performance, thus become a research hotspot for cathode materials of zinc‐ion batteries (ZIBs). However, in the process of charging and discharging, it is accompanied by problems such as structural collapse and low conductivity, which resulted in severe capacity degration during cycles. In this paper, a kind of Zn2+ doped MnO2 hollow cube cathode material (Zn−MnO2) was prepared by self‐sacrificing template method. The Zn2+ doped in MnO2 crystals can induce oxygen vacancies in the structure, thereby improving the structural stability ion diffusion coefficient and electrical conductivity of the material. After 100 cycles at 0.3 A g−1, the high specific capacity of 281.2 mA h g−1 is still maintained. Through ex‐situ XPS and ex‐situ XRD tests, the mechanism of charge‐discharge process was discussed. The results show that the storage mechanism of Zn‐MnO2 is H+ and Zn2+ insertion/removal and Mn3+/Mn2+ two‐electron reaction pathway. The total state density (TDOS) and partial state density (PDOS) of Zn−MnO2 and MnO2 further demonstrated that the doping of Zn2+ enhanced the electron conductivity and is beneficial to the electron transfer during the electrochemical reaction.
Strategic Design of Anion‐Responsive Triarylboranes Exhibiting Colorimetric and Fluorometric Red‐Shift for Sensing and Optoelectronic Applications
Authors: Takeda Youhei
Published: October 2024

Triarylboranes (TABs) have been employed as colorimetric and/or fluorometric anion sensors. The majority of TAB‐based anion sensors exhibit blue‐shift modes of absorption and photoluminescence (PL) or turn off of PL, attributed to the intrinsic electronic polarity of the trivalent boron unit in their molecular designs. In this Concept article, I introduce a novel approach to modulating the photophysical properties of TABs toward a red‐shift mode by balancing the dual, opposing roles of the amine‐bridged TAB (phenazaborine). This molecular design strategy enables significant changes in color and emission response to anions, shifting to the lower energy regime in solution. Additionally, this approach is applicable to the solid‐state modulation of PL in films and organic light‐emitting diodes (OLEDs).
Covalent Organic Framework (COF) Based Catalysts for Photocatalytic Cross‐Dehydrogenative Coupling Reactions
Authors: Zhang Jing , Guo Bin , Tong Zhuo‐Lin , Young David J. , Li Hong‐Xi
Published: October 2024

Covalent organic frameworks (COFs) are robust, porous materials with well‐defined structures that have been employed for gas separation, photoluminescence, sensing, energy storage, and heterogeneous catalysis. This review summarizes recent progress in the use of COFs as a versatile platform for heterogeneous photocatalytic cross‐dehydrogenative coupling (CDC) reactions, which are an efficient and clean methodology for the formation of C−C or C−P bonds. We review the synthesis of these photocatalytic COFs, correlating their catalytic performance with their structures and photoelectric properties.
Shining light on the shadows: The role of corruption control in the relationship between board composition and SDG disclosure
Authors: Pinheiro Alan Bandeira , Lopes Gabriele , Mazzo Gabriel Gusso
Published: October 2024

This paper investigates how corruption control moderates the relationship between board composition and Sustainable Development Goals (SDG) disclosure. We analyze a sample of 269 companies from Mediterranean capitalism countries (Portugal, Greece, Italy, Spain, Malta, and Cyprus) combining a symmetric method (panel data analysis) and an asymmetric approach (fuzzy‐set qualitative comparative analysis). Our findings show that larger boards enhance SDG disclosure and female presence negatively impacts SDG disclosure. Corruption control is a driver of SDG disclosure, and the effect of board size on SDG disclosure is greater when companies are operating in countries with low rates of corruption. This the first paper that investigates the relationship between board composition and SDG disclosure, highlighting the moderating effect of controlling corruption at the country level. Managers should be aware that some board characteristics drive greater SDG disclosure. Additionally, governments can support SDG disclosure by combating corrupt practices in their countries, and by creating support mechanisms for companies to incorporate SDGs into business strategies.
Borohydride Hydrolysis Using a Mechanically and Chemically Stable Aluminium‐Stainless Steel Porous Monolith Catalyst Made by 3D Printing
Authors: Pope Frances , Xhaferri Xhoi , Giesen Daan , Geels Norbert J. , Pichler Jessica , Rothenberg Gadi
Published: October 2024

The challenge of moving to a carbon‐free energy economy is highlighted in the context of technology and materials restrictions. Many technologies needed for the so‐called energy transition depend on critical metals such as platinum, lithium, iridium and cobalt. Here we focus on solid borohydride salts as hydrogen carriers, studying catalysts for hydrogen release. We combine metal 3D printing technology and a Raney‐type leaching process to make structured macroscopic catalyst/reactor monoliths of cobalt, aluminium and stainless steel with well‐defined micropores. Remarkably, the blank catalyst samples, which are made only from aluminium and stainless steel (Al‐SS), show high activity and, importantly, high stability in borohydride hydrolysis, with no mass loss and no surface poisoning. The batch results are confirmed in a continuous setup running for 96 h. Catalyst performance is attributed to the stable porous structure, the mechanical stability of the stainless steel macrostructure, and the presence of accessible Al(OH)x sites. This research shows a clear contribution to sustainability based on multi‐factor comparison: The Al‐SS catalyst outperforms the state‐of‐the‐art on mechanical and chemical durability, it is both PGM‐free and CRM‐free, and its preparation follows a simple, scalable and low‐waste procedure.
Remote Migratory Reductive Arylation of Unactivated Alkenes Enabled by Electrochemical Nickel Catalysis
Authors: Xu Chao , A Ru‐Han , Wu Xiao‐Feng
Published: October 2024

Transition metal‐catalyzed cross‐coupling reaction between organometallic reagents and electrophiles is a potent method for constructing C(sp2)−C(sp3) bonds. Given the characters of organometallic reagents, cross‐reductive coupling is emerging as an alternative strategy. The resurgence of electrochemistry offers an ideal method for electrochemical reductive of cross‐coupling electrophiles. Inspired by the mechanism of electrochemical metal hydride, our study proposed that Ni−H electrochemically catalyze the hydroarylation coupling of unactivated alkenes with aryl halides. 1,1‐Diarylalkanes can be produced effectively. This method have advantages including mild conditions, excellent regioselectivity, and satisfactory yields.
A Hybrid Multiobjective Control Strategy Based on Combination of Modulated Model Predictive Control and Phase‐Shifted Modulation for a Unidirectional Five‐Level Rectifier
Authors: Shen Yucheng , Cheng Hong , Wang Cong , Yuan Wei , Liu Ziru , Meng Tianshuai
Published: October 2024

The unidirectional multilevel rectifier has immense potential in high‐power medium‐voltage industrial applications. This paper proposes a multiobjective control method based on the combination of optimal‐vector‐pair modulated model predictive control (OVP‐M2PC) and a phase‐shifted modulation strategy for a unidirectional five‐level rectifier. This strategy takes both of the inductor current tracking and capacitor voltage balancing as the control objectives. First, an optimal vector pair is determined based on the AC‐side current variation rate, and then, through combining the calculated action duration of OVP with carrier phase‐shifted modulation, inductor current tracking is achieved. Second, capacitor voltage balancing control is carried out by compensating for the duty cycles which also decouples the input current tracking and output capacitor voltage balance control. Compared with traditional FCS‐MPC, under the proposed control strategy, complex cost function calculation and weighting factor tuning are not required, which much reduced computational burden. Multiobjective control is achieved with better performance in both steady‐state and dynamic conditions. The superiority of the proposed strategy over traditional FCS‐MPC are validated through simulations and hardware experiments.
Marital dissolution and cognition: The mediating effect of Aβ neuropathology
Authors: Chandra Avinash , Anjum Rifah , Waters Sheena , Proitsi Petroula , Smith Laura J. , Marshall Charles R. ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: October 2024

INTRODUCTION

Widowhood and divorce are extremely stressful life events that are associated with dementia, but the neurobiological underpinnings of this risk remain unknown. Amyloid beta (Aβ) load may explain influences of chronic stress, commonly seen in disruptive marital transitions, on cognitive decline.

METHODS

We examined whether Aβ quantified by tracer uptake on positron emission tomography mediates associations between marital dissolution and executive functioning and episodic memory performance using data from 543 cognitively normal (CN) participants from the Alzheimer's Disease Neuroimaging Initiative.

RESULTS

Marriage dissolution was associated with increased Aβ burden (β = 0.56; P = 0.015) and worse memory performance (β = –0.09; P = 0.003). Aβ levels were a significant mediator for the relationship between marriage dissolution and memory (average causal mediation effect = –0.007; P = 0.029).

DISCUSSION

Findings suggest that stressful life events, such as the dissolution of one's marriage, might exert an effect on Alzheimer's disease proteinopathy, which may subsequently influence poor cognition.

Highlights

Marital dissolution was associated with increased amyloid beta (Aβ) and memory declines.

Aβ burden mediated associations between marital dissolution and memory.

Findings were robust to potential non‐linear influences of age.

Mediation results were not observed when stratifying marital groups by sex.
Agmatine: An Emerging Approach for Neuroprotection in Recurrent Ischemic Stroke Events in a Murine Model
Authors: Miranda‐Mosqueda M. L. , Ruiz‐Oropeza S. Y. , González‐Barrios J. A. , Jaimez R. , Peña‐Ortega Fernando , Gómez‐Acevedo C.
Published: October 2024

This study investigates the effect of agmatine on reducing mortality, neurobehavioral alterations, infarct size, and expression of pro‐inflammatory cytokines in mice subjected to bilateral carotid thrombosis. Under pentobarbital anesthesia, the left common carotid artery was exposed to 6% FeCl3. Thirty‐two days later, the same procedure was performed on the right common carotid artery. Subsequently, Agmatine (100 mg/kg) was administered 15 min after the second procedure, and in another experimental group, the dose of Agmatine was repeated at 72 h. Administration of agmatine extended survival in ischemic animals up to 72 h for the single‐dose group and up to 96 h for the repeated‐dose group, without significant increases in neurological deficits or infarct area size. This neurobehavioral effect was also observed in sham animals treated with agmatine. In ischemic animals, agmatine administration improved digging behavior and reduced recovery times, consistently shorter in those animals treated with repeated doses. RT‐PCR analyses revealed a positive regulation of the cytokine IL‐1β in agmatine‐treated animals, which has been associated with recovery stages. The results suggest that the observed effect may be attributed to the multiple interactions of agmatine with ischemic cascade events, highlighting its anti‐inflammatory role.
Monitoring of black oak (xánthiip) to center indigenous ecocultural revitalization
Authors: Thoreson Jessie , McCovey Kathy , Rossier Colleen , Lake Frank K. , Hajjar Reem , Hillman Chook‐Chook , Halpern Arielle , Tripp Bill , Krawchuk Meg
Published: October 2024

Indigenous Knowledge, Practice, and Belief Systems (IKPBS) are an ecological and cultural framework with which Indigenous communities have (and continue to) adaptively manage their land since time immemorial. In the current context of climate change and colonial forest and fire management in the western US, Indigenously‐led ecological research and cultural revitalization offers a path forward where tribal sovereignty of land stewardship is maintained and the resiliency of natural systems are reestablished. We describe our process of developing an Indigenous‐Directed Research (IDR) partnership to study xánthiip (Karuk for black oak, Quercus kelloggii), a Karuk cultural focal species, in the context of Karuk‐led forest restoration. We first outline our process of IDR by describing how this partnership was established, research questions and methodologies were co‐developed, IKPBS were centered, and utility to tribal forest restoration processes were prioritized. The primary product of this partnership was a culturally responsive black oak monitoring protocol to assess black oak tree quality over time. We describe how this protocol was developed including conducting semi‐structured qualitative interviews with Karuk cultural practitioners, translating qualitative interviews to field protocol metrics, consulting with research partners, testing for field feasibility, and sharing back to the local community through field training and youth curriculum development. Second, we analyzed plot data collected from the implementation of the black oak protocol using a two‐eyed seeing approach that ensured our ecological findings had cultural relevance for future Karuk‐led forest stewardship. Through this analysis we described the dominant black oak tree typologies based on their traits of importance as identified by Karuk cultural practitioners and research collaborators. All natural resources research takes place on Indigenous land. By outlining the steps of this transdisciplinary IDR partnership, we provide a framework for centering IKPBS, respecting Indigenous land sovereignty, and centering Indigenous leadership in ecological research and knowledge co‐development.
The Paradoxical Effect of Repeated Body Checking on Subjective Uncertainty
Authors: Ben Zaken Linn Mor , Kalanthroff Eyal , Weinbach Noam
Published: October 2024

Objective

Body checking is considered a behavioral expression of the core psychopathology of eating disorders (EDs), namely, overvaluation of body weight and shape. Compulsive checking is motivated by a desire to increase a sense of certainty regarding feared outcomes. Paradoxically, studies showed that repeated checking acts to reduce certainty, forming a vicious cycle. No previous study examined whether the same principle applies for body checking. This study filled this gap by examining the causal effect of repeated body checking on memory certainty regarding checked body parts.

Method

In a laboratory‐based study, 77 female participants without an ED checked the size and shape of six body parts. Their objective memory regarding which body part was last checked, and subjective certainty about this memory were assessed. Then, one group of participants continued to engage in repeated body checking, and another group repeatedly checked a neutral object. Finally, all participants completed the six body parts checking procedure again, and their objective memory and memory certainty were re‐assessed.

Results

In both checking groups, objective memory regarding the last body part checked was unaffected by the type of checking performed. Importantly, certainty about memory dropped considerably only among those in the repeated body‐checking group.

Discussion

The findings provide the first empirical evidence of a paradoxical effect demonstrating that repeated body checking reduces certainty about checked body parts. The study implies that repeated body checking reduces the quality of information obtained through checking and, as such, could potentially motivate further checking.
Progress on Si‐based photoelectrodes for industrial production of green hydrogen by solar‐driven water splitting
Authors: Peng Shuyang , Liu Di , Bai Haoyun , Liu Chunfa , Feng Jinxian , An Keyu , Qiao Lulu , Lo Kin Ho , Pan Hui
Published: October 2024

Solar power has been regarded as the ultimate green‐energy source because of its inexhaustibility and eco‐friendliness. The solar‐driven water‐splitting technology for green hydrogen production is considered to be one of effective ways for solar energy harvesting and storage, which may provide solutions for the energy crisis and environmental issues. In the past decades, great progress has been achieved in this area. Photoelectrochemical (PEC) water splitting is especially promising for the production of solar fuels because of expected large‐scale industrial application. Silicon (Si), as an ideal candidate for the photoelectrode, is the most suitable material for the PEC device in industrial photocatalytic water splitting because of its abundance, mature fabrication technology, and suitable band gap. Here, we give a systematic review on the recent progress for Si‐based photoelectrodes for water splitting with a focus on the industrial application. Particularly, the strategies, such as band‐alignment control, morphology design, and surface engineering, are summarized to enhance the PEC performance and durability for practical application. Furthermore, the perspective for the design of commercial Si‐based PEC devices with high PEC performance, long‐term stability, large‐size, and low cost are given at the end, which shall guide the development of PEC water splitting for industrial application.
Essential mineral elements in roe deer: Associations with parasites and immune phenotypes in two contrasting populations
Authors: Bariod Léa , Saïd Sonia , Calenge Clément , Scheifler Renaud , Fritsch Clémentine , Peroz Carole , Benabed Slimania , Bidault Hervé , Chabot Stéphane , Débias François , Duhayer Jeanne , Pardonnet Sylvia , Poirel Marie‐Thérèse , Revelli Paul , Vuarin Pauline , Bourgoin Gilles
Published: October 2024

Low levels of essential mineral elements such as cobalt, copper, and iron, in organisms reduce immune function, increasing the chances of parasitic infection. This phenomenon has been demonstrated widely in domestic animals but rarely in wildlife. In this study, we used data from 7‐ to 9‐month‐old roe deer (Capreolus capreolus), living in two different populations facing contrasting environmental conditions (Trois‐Fontaines and Chizé), to investigate whether the parasitic and immunological statuses could be related to essential element status. Between 2016 and 2019, we collected feces to measure parasite burdens (gastrointestinal and pulmonary nematodes), blood to measure immunological parameters (globulins and white blood cells), and hair to assess the concentration of 11 essential elements (calcium [Ca], chromium [Cr], cobalt [Co], copper [Cu], iron [Fe], magnesium [Mg], manganese [Mn], potassium [K], molybdenum [Mo], selenium [Se], and zinc [Zn]). The results showed first heterogeneity in the individual phenotypes of the two populations. Roe deer with low body mass had high concentrations of all the essential elements (in particular, Ca, Fe, Cu, K, and Mn), a high parasitic burden, and high concentrations of globulins. An association between high concentrations of essential elements and a high parasite burden was found at the two study sites despite markedly different environmental conditions. A relationship between essential element concentrations and immune parameters was also detected, with more basophils and globulins being associated with high concentrations of essential trace elements (i.e., Ca, Fe, Cu, and, to a lesser extent, Se, Cr, and Zn). These results suggest that young individuals with low body mass and high parasitism may select feeding resources rich in mineral elements, which may improve their ability to control the infestation and/or mitigate the negative consequences of parasites by maintaining immune system functions.
Crystal Structure, Phase Transition and Dielectric Behaviors of One‐dimensional Organic‐inorganic Bromoargentate Hybrids of [Et‐dabco]2Ag2Br4
Authors: Pan Xue‐Wei , Ma Hong‐Yu , Tian Zheng‐Fang , Ren Xiao‐Ming
Published: October 2024

A new haloargentate hybrid, [Et‐dabco]₂Ag₂Br₄ (1) (Et‐dabco+=1‐Ethyl‐1,4‐diazabicyclo[2.2.2]octan‐1‐ium), has been successfully synthesized by a solution diffusion method and characterized using microanalysis, single crystal X‐ray diffraction, variable‐temperature powder X‐ray diffraction (PXRD), differential scanning calorimetry (DSC), and dielectric spectra. The crystal structure of 1 at 273 K contains one‐dimensional (1D) anionic [Ag₂Br₄]2− chains, with the [Et‐dabco]+ cations embedded in the gaps between the inorganic chains. Hybrid 1 underwent a reversible structural phase transition (SPT) at around 464.5 K on heating, and the Pawley refinement revealed similar crystal structures in the low‐ and high‐temperature phases. The SPT endows 1 with switchable and bistable dielectric properties. Combined with previous studies, it was revealed that the self‐assembly of silver halide (AgX) with the lower rotational energy barrier of 1‐alkyl‐1,4‐diazabicyclo[2.2.2]octan‐1‐ium in solution probably achieves new phase transition materials.
High‐Pressure‐Mediated Fragment Library Synthesis of 1,2‐Disubsituted Cyclobutane Derivatives
Authors: Janssen Mathilde A. C. H. , Rappard Rico , Dekker Tom , Heiming Mitchel , Beens Marjolijn , Pieters Dyon , Kuijpers Brian H. M. , Benningshof Jorg C. J. , Wijtmans Maikel , de Esch Iwan J. P. , Blanco‐Ania Daniel , Rutjes Floris P. J. T.
Published: October 2024

Cyclobutanes have attracted significant interest in medicinal chemistry because of their unique structure and potential advantages in pharmacological properties. Nevertheless, 1,2‐disubstituted cyclobutanes remain underrepresented, both in the general chemical space and in fragment‐based drug discovery libraries. In this study, a two‐diversification‐point library of cyclobutanesulfonamides was synthesized through a hyperbaric [2+2] cycloaddition reaction between ethenesulfonyl fluoride and tert‐butyl vinyl ether as the key step. The sulfonyl fluoride was subsequently transformed into various sulfonamides, whereas the tert‐butyl ether was converted into carbamates and triazoles to synthesize a fragment library. Overall, this synthesis contributes to addressing the underrepresentation of 1,2‐disubstituted cyclobutane fragments, making a valuable addition to the field of fragment‐based drug discovery.
Impairments in personality functioning in adolescents with anorexia nervosa
Authors: Schumacher Andrea M. , Tschitsaz Armita , Lerch Stefan , Wyssen Andrea , Schlensog‐Schuster Franziska , Mürner‐Lavanchy Ines , Koenig Julian , Cavelti Marialuisa , Kaess Michael
Published: October 2024

Objective

Impairments in personality functioning (PF) according to the Alternative Model of Personality Disorders (AMPD) may affect anorexia nervosa (AN) and its treatment. However, PF impairments in adolescents with AN have not been studied. This case‐control study analysed PF impairments in adolescent inpatients suffering from AN compared to a clinical control group (CC) and investigated the relationship of PF with AN severity.

Method

Adolescent patients with AN (n = 43) and CC (n = 127) were matched by age, sex, and global functioning. Validated interviews were applied to assess impairments in PF (Semi‐Structured Interview for Personality Functioning, STiP‐5.1) and severity of AN (Eating Disorder Examination, EDE), as well as weight measures. Group comparisons of PF impairment and the relationship between PF impairment and AN severity were analysed using multiple linear regression.

Results

AN patients showed greater impairment in the facet ‘self‐esteem’ (p = 0.033, Cohen's f2 = 0.036) than CC. In AN patients, impairments in the domain ‘self‐functioning’ (p = 0.003, Cohen's f2 = 0.254) and its underlying element ‘identity’ (p = 0.016, Cohen's f2 = 0.172) were associated with AN severity (EDE). Additionally, higher impairments in two facets of ‘empathy’ (p = 0.019, Cohen's f2 = 0.223) and ‘intimacy’ (p = 0.026, Cohen's f2 = 0.199) were associated with higher AN severity (lower BMI percentiles).

Conclusions

These results support theoretical frameworks of AN and highlight the importance of PF impairments in understanding and treating AN. Future research should investigate how impairments in PF affect AN development and treatment response through longitudinal studies.
A study of staff pre‐evacuation behaviors in a Malaysian hotel
Authors: Noumeur Abdelmoutaleb , Lovreglio Ruggiero , Md Said Mohamad Syazarudin , Baharudin Mohd Rafee , Mohamed Yusoff Hamdan , Mohd Tohir Mohd Zahirasri
Published: October 2024

Simulating fire and evacuation scenarios is crucial for engineers to assess building safety during fire incidents. Accurate simulations require data on occupants' behaviors, particularly during the pre‐evacuation phase as these decisions significantly impact evacuation duration. Gathering comprehensive data from diverse regions while considering cultural and regional variations is necessary to understand how occupants' behavior is influenced. Thus, this study focuses on examining the behavior of Malaysian hotel staff during unannounced fire drill to gain insights into factors affecting their behavior during pre‐evacuation stage, such as fire experience, fire alarm, drill participation, fire training, and awareness. The study categorizes the actions performed by the hotel staff into sequences and analyses them based on influencing factors. The findings indicate that instead of immediately evacuating in response to emergency notification, the hotel staff engage in various actions. Most staff members initially investigate or ignore the emergency, resulting in longer pre‐evacuation times. Moreover, the results suggest that previous drill participation and high awareness levels contribute to shorter pre‐evacuation times. Conversely, previous fire experience, fire training, and fire alarm familiarity have no effect on pre‐evacuation time.
Prevalence of metabolic dysfunction‐associated steatotic liver disease in people living with HIV and on antiretroviral treatment: A systematic review and meta‐analysis protocol
Authors: Sedibe Amogelang , Maswanganyi Khanyisa , Mzimela Nomusa C. , Gamede Mlindeli
Published: October 2024

Introduction

Metabolic dysfunction‐associated steatotic liver disease (MASLD) has become the most common hepatic condition globally. The prevalence of MASLD continues to increase, paralleling the consistent rising rates of risk factors such as obesity and type 2 diabetes. Literature suggests that human immunodeficiency virus‐infected (HIV‐infected) individuals may have an increased risk of developing MASLD due to a complex interplay of factors including antiretroviral therapy. Since the development and widespread use of effective antiretroviral therapy (ART), HIV‐induced liver disease has continued to be the predominant cause of liver‐related morbidity and mortality. This protocol serves to narrate the methods that will be employed in conducting the published literature search for the systematic review and meta‐analysis which will report on the global prevalence of MASLD on people living with HIV and on ARV treatment.

Methods

The search of literature will be done using search engines or electronic databases including PubMed, Google Scholar, African Journal Online, and ResearchGate. Specific keywords will be used to search literature that has reported on the prevalence of MASLD among HIV patients receiving antiretroviral treatment, this will ensure the reproducibility of the study. Cross‐sectional and longitudinal observational studies, retrospective cohort studies, clinical trial studies, meta‐analyses, and systematic reviews that were published in the English language from 1990 to 2024 will be included. Animal studies will be excluded. Three independent reviewers will conduct the selection process and select studies that meet the eligibility criteria. A quality assessment tool, Downs and Blacks will be used to assess the risk of bias of the selected studies. A review manager will be used for meta‐analysis of collected data and the Grading of Recommendations Assessment, Development, and Evaluation tool will assess the strength of evidence.

Ethics, dissemination, and registration

The review will not require ethical clearance as it will only include data that is publicly available in published reports. The results of this review will be disseminated through publications. This study is registered with PROSPERO (CRD42024516814).
Modelling the cost‐effectiveness of a chloramine gel in treating infected, non‐healing diabetic foot ulcers
Authors: Guest Julian F. , Eliasson Björn
Published: October 2024

Background and aims

Organic chloramines have been developed as a topical wound bed preparation gel. This study aimed to estimate whether the addition of chloramine gel (Chlorasolv, RLS Global AB, Sweden) to standard care compared with standard care alone would afford a cost‑effective technology to the UK's health services for treating infected, non‐healing diabetic foot ulcers (DFUs).

Methods

A Markov model was developed to simulate the management of infected, non‐healing DFUs. The model utilised data from a randomised controlled trial and was used to estimate the cost‐effectiveness of chloramine plus standard care compared with standard care alone over a period of 24 weeks, expressed as the incremental cost per quality‐adjusted life year (QALY) gained at 2021/22 prices.

Results

Using adjunctive chloramine to treat infected, non‐healing DFUs was found to shorten the time to healing by 36% (from a mean of 17.1 weeks per ulcer to a mean of 11.0 weeks per ulcer). This translated into a 6% improvement in the probability of being healed by 24 weeks and a corresponding 3% improvement in health‐related quality of life (HRQoL). Also, use of adjunctive chloramine was found to reduce the total cost of ulcer management by 13%. Sensitivity analysis found that adjunctive chloramine remained a cost‐effective treatment, even when the value of the model inputs was varied by ±20%.

Conclusion

Within the limitations of the study, treatment with adjunctive chloramine instead of standard care alone could potentially afford the UK's health services a cost‐effective debridement strategy for infected, non‐healing DFUs, due to its ability to accelerate the time to healing.
Protective role of SIRT1 (rs3758391 T > C) polymorphism against T2DM and its complications: Influence on GPx activity
Authors: Naseri Rozita , Khalili Farnaz , Rahimi Zohreh , Yari Kheirolah , Rezaei Mansour
Published: October 2024

Background and Aims

Sirtuin‐1 (SIRT1) has antidiabetic effects through the regulation of insulin secretion and modulation of inflammation. The SIRT1 rs3758391 gene polymorphism affects the level of SIRT1. The current study aimed to investigate the possible influence of SIRT1 gene variants in relation to oxidative stress parameters on the susceptibility to type 2 diabetes mellitus (T2DM) and its microvascular complications.

Methods

In this case‐control study 398 individuals including 300 patients with T2DM (100 T2DM without complication, 100 diabetic neuropathy patients and 100 patients with diabetic retinopathy) and 98 healthy subjects were studied for SIRT1 rs3758391 T > C variants. Also, the glutathione peroxidase (GPx) activity and the levels of glutathione (GSH), malondialdehyde (MDA), total antioxidant capacity (TAC), and total oxidative status (TOS) were determined by colorimetric methods. SIRT1 genotypes were detected using the polymerase chain reaction‐restriction fragment length polymorphism method.

Results

The C allele of SIRT1 reduced the risk of T2DM, diabetic neuropathy and diabetic retinopathy. Significantly lower levels of GSH, GPx, and TAC were found in diabetic patients compared to control group. However, the level of MDA was significantly higher in patients compared to healthy individuals. Considering all individuals, the GPx activity increased in the presence of the SIRT1 CC, and TC genotypes compared to the TT genotype. Among all studied individuals the activity of GPx was significantly higher in normal body mass index (BMI) subjects than overweight, and obese individuals. However, among overweight and obese diabetic, diabetic retinopathy and diabetic neuropathy patients the mean level of TOS was significantly higher compared to patients with normal BMI.

Conclusions

Our findings suggest a protective role for SIRT1 C allele against T2DM and diabetic neuropathy and diabetic retinopathy. We found in the presence of this allele the GPx activity increased. Also, we detected an enhanced oxidative stress level among overweight and obese patients with diabetes and its complications that could be involved in the pathogenesis of the disease.
The Candida auris Infection After the COVID‐19 Pandemic Seems to be an Urgent Public Health Emergency: A Call to Attention
Authors: Rahman Md. Ashrafur , Victoros Evangelos , Shanjana Yeasna , Thomas Marie Roke , Islam Md. Rabiul
Published: October 2024

Background and Aims

Inconsequential diseases can sometimes become extremely dangerous through mutation. Antifungal resistance has increased by 24%, and resistance only due to Candida auris (C. auris) species have increased by 60%. Here, we aimed to assess the knowledge of antifungal treatment and preventative measures to mitigate the consequences of infections caused by C. auris.

Methods

We performed a comprehensive literature search and gathered information for this review from publicly available published articles. We used C. auris, C. auris infection, mycoses, and antifungal resistance as search terms in Google Scholar, PubMed, and Scopus. We extracted the relevant information from the available article after careful evaluation.

Results

The genus C. auris was especially difficult to diagnose, as it was often mistaken for other types of yeast and led to incorrect treatment. The only effective method for diagnosing C. auris is through blood culture testing in laboratories and PCR tests. Because of its mutation, C. auris has grown increasingly resistant to all three classes of antifungals, with almost all strains resistant to fluconazole. These resistances were traced back to multiple‐point mutations in certain genes, such as ERG11 in the case of fluconazole and amphotericin B. In addition, C. auris is phylogenetically related to C. haemulonii, an emerging pathogen notably resistant to antifungals. So, it may be an evolutionary resistance that occurred earlier but has only begun to spread now. Echinoderm, a reliable treatment for C. auris infections showed ineffectively against FKS1 and ERG3 gene mutated Candida strains. Newly developed antifungal agents, like Ibrexafungerp, showed promising results against echinocandin‐resistant strains in clinical trials.

Conclusion

Without vaccines and effective treatment, its capacity to mutate and spread has detrimental effects on humans. Therefore, extensive research on drug development, quick, reliable diagnosis, and effective strategies for disease prevention and treatment are required to mitigate the health impact of C. auris.
Anion‐repulsive polyoxometalate@MOF‐modified separators for dendrite‐free and high‐rate lithium batteries
Authors: Liu Yi , Hou Tianyi , Zhang Wei , Gou Bin , Li Faqiang , Wang Haonan , Deng Xin , Li Dinggen , Xu Henghui , Huang Yunhui
Published: October 2024

Commercial polyolefin separators in lithium batteries encounter issues of uncontrolled lithium‐dendrite growth and safety incidents due to their low Li+ transference numbers () and low melting points. To address these challenges, this study proposes an innovative approach by upgrading conventional separators through the incorporation of metal‐organic framework (MOF)‐confined polyoxometalate (POM). The presence of POM restricts anion diffusion through electrostatic repulsion while facilitating Li+ transport within MOF nanochannels through their affinity for lithium ions. Moreover, MOF confinement effectively mitigates the acidification of electrolytes induced by POM. As a proof‐of‐concept, the polypropylene separators decorated with phosphotungstic acid@UIO66 (denoted as PW12@UIO66‐PP) exhibit remarkable lithium‐ion conductivity of 0.78 mS cm−1 with a high of 0.75 at room temperature. The modified separators also display excellent thermal stability, preventing significant shrinkage even at 150°C. Furthermore, Li symmetric cells employing PW12@UIO66‐PP separators exhibit stable cycling for 1000 h, benefiting from rapid Li‐ion transport and uniform deposition. Additionally, the modified separator shows promising adaptability to industrial manufacturing of lithium‐ion batteries, as evidenced by the assembly of a 4 Ah NCM811/graphite pouch cell that retains 97% capacity after 350 cycles at C/3, thus highlighting its potential for practical applications.
Triazine derivative as volatile solid additive for non‐halogenated solvent and thermal annealing‐free processed organic solar cells with over 18% efficiency
Authors: Li Yuanyuan , Xu Xiang , Shi Changzhou , Chen Weikun , Fu Yuang , Liu Wei , He Siqing , Lu Xinhui , Yuan Jun , Zou Yingping
Published: October 2024

Volatile solid additive (VSA) has been demonstrated to be an effective strategy to optimize the morphology of the active layer for high‐performance organic solar cells (OSCs). Most of the reported OSCs with VSA are processed by chloroform (CF) and relies on thermal annealing (TA) posttreatment. However, the CF solvent problems of low boiling point, toxicity, and environmental‐unfriendly as well as increasing cost from TA restricted the large‐scale production. Here, a simple‐structured and low‐cost triazine derivative 2,4,6‐trichloro‐1,3,5‐triazine (TCT) as a VSA was introduced into PM6:BTP‐eC9‐based OSCs. Employing the TCT additive, the nonhalogenated solvent (o‐xylene) processed OSCs without TA treatment and delivered higher power conversion efficiencies (PCEs) in comparison to the TA‐treated counterpart. Benefiting from the intermolecular interactions between TCT and the active layer materials, the TCT‐treated blend films exhibited optimized morphology and enhanced crystallinity. As a result, the PM6:BTP‐eC9 OSCs achieved a champion PCE of 18.18% and fill factor (78.5%), which is among one of the most advanced nonhalogenated solvent‐processed and annealing‐free OSCs. Meanwhile, the TCT‐treated blend films also demonstrated the better photo‐stability compared to the control device. This work provides a guideline of triazine derivatives as VSA for high‐performance OSCs with TA‐free and nonhalogenated solvent‐processing treatment.
Surveys on tokay gecko trade as traditional Chinese medicine in Hong Kong put spotlight on imports from Indonesia and Vietnam
Authors: Chan Jovy Y. S. , Dingle Caroline , Nijman Vincent , Shepherd Chris R.
Published: October 2024

Tokay geckos are traded in large volumes in Hong Kong, though the sustainability and legality of this trade are unclear. Two studies have been published on Hong Kong's tokay gecko trade. We examine the findings of both and make consolidated recommendations to ensure trade is not detrimental to this species.