bluuebunny/crossref_metadata_2025 huggingface dataset:
Simplified quantum chemistry methods to evaluate non‐linear optical properties of large systems
Authors: Löffelsender Sarah , Beaujean Pierre , de Wergifosse Marc
Published: November 2023

This review presents the theoretical background concerning simplified quantum chemistry (sQC) methods to compute non‐linear optical (NLO) properties and their applications to large systems. To evaluate any NLO responses such as hyperpolarizabilities or two‐photon absorption (2PA), one should evidently perform first a ground state calculation and compute its response. Because of this, methods used to compute ground states of large systems are outlined, especially the xTB (extended tight‐binding) scheme. An overview on approaches to compute excited state and response properties is given, emphasizing the simplified time‐dependent density functional theory (sTD‐DFT). The formalism of the eXact integral sTD‐DFT (XsTD‐DFT) method is also introduced. For the first hyperpolarizability, 2PA, excited state absorption, and second hyperpolarizability, a brief historical review is given on early‐stage semi‐empirical method applications to systems that were considered large at the time. Then, we showcase recent applications with sQC methods, especially the sTD‐DFT scheme to large challenging systems such as fluorescent proteins or fluorescent organic nanoparticles as well as dynamic structural effects on flexible tryptophan‐rich peptides and gramicidin A. Thanks to the sTD‐DFT‐xTB scheme, all‐atom quantum chemistry methodologies are now possible for the computation of the first hyperpolarizability and 2PA of systems up to 5000 atoms. This review concludes by summing‐up current and future method developments in the sQC framework as well as forthcoming applications on large systems.

This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods

Structure and Mechanism > Molecular Structures

Electronic Structure Theory > Density Functional Theory

Electronic Structure Theory > Semiempirical Electronic Structure Methods
Widerlegung des Mythos vom „Abszesswetter“, welches das Auftreten von Peritonsillitiden und Peritonsillarabszessen begünstigt
Authors: von Meyer Franziska , Storck Katharina
Published: November 2023

Hintergrund

Der Peritonsillarabszess (PTA) wird häufig als Komplikation der akuten Tonsillitis gesehen und ist definiert als Eiterverhalt zwischen der Tonsillenkapsel und dem peritonsillären Gewebe. Die Ätiologie und Pathogenese sind bisher noch nicht vollständig geklärt. Ein Zusammenhang zwischen bestimmten Wetterbedingungen und Temperaturschwankungen und dem Auftreten von Abszessen im Kopf-Hals-Bereich wird seit Jahren diskutiert. Hierbei ist die Frage, ob höhergradige Temperaturschwankungen prädisponierend sind für die Ausbildung von Abszessen.

Material und Methodik

Es erfolgte eine retrospektive Auswertung aller Patienten, die in einem Zeitraum von 10 Jahren (2012–2021) in der Klinik und Poliklinik für Hals, Nasen‑, Ohrenheilkunde des Klinikums rechts der Isar der Technischen Universität München mit einer Peritonsillitis oder einem PTA stationär behandelt wurden. Jeder Patient wurde einzeln mit den täglichen Temperaturdaten des statistischen Wetteramts für die Stadt München korreliert.

Ergebnisse

Insgesamt konnten 1450 Patienten in die Studie eingeschlossen werden. Von den 1450 Patienten hatten 270 Patienten (18,62 %) eine Peritonsillitis, 1180 Patienten (81,38 %) einen PTA. Eine Korrelation zwischen dem Auftreten von Peritonsillitiden oder PTA und größeren Temperaturschwankungen konnte in diesem großen Patientenkollektiv ausgeschlossen werden. Auch zeigte sich über das ganze Jahr eine ähnliche Häufigkeit von Peritonsillitiden und PTA.

Schlussfolgerung

Peritonsillitiden oder Peritonsillarabszesse entwickeln sich nach Datenlage der vorliegenden Studie wetterunabhängig.
Structure and Ecological Function of Fungal Endophytes from Stems of Different Mulberry Cultivars
Authors: Peng Fangfang , Li Xunlan , Wei Zhaoxin , Luo Youjin , Wang Wu , Han Guohui
Published: November 2023

To explore the microbial community structure and ecological function of mulberry and their potential relationship with the resistance of mulberry, the community structure and function of endophytic fungi in 18 mulberry cultivars were analyzed and predicted by using high-throughput sequencing technology and the FUNGuild database. A total of 352 operational taxonomic units of fungi were observed at a 97% similarity level, representing six phyla of fungi, Fungi_unclassified, Ascomycota, Basidiomycota, Zygomycota, Rozellomycota, and Chytridiomycota. Fungi_unclassified was dominant, and Ascomycota was relatively dominant in all cultivars. At the genus level, Ascomycota_unclassified was dominant, and Ampelomyces was relatively dominant, with a richness in TAIWANCHANGGUOSANG 16.47–8975.69 times that in the other cultivars. Classified Ascomycota_unclassified was 4.75–296.65 times more common in NANYUANSIJI than in the other cultivars. Based on the FUNGuild analysis method, we successfully annotated six nutrient types, namely, pathotroph, pathotroph–saprotroph, pathotroph–saprotroph–symbiotroph, saprotroph, saprotroph–symbiotroph, and symbiotroph, among which saprophytic–symbiotic accounted for the largest proportion and was absolutely dominant in TWC. This research suggests that community composition differs among cultivars and that the diversity and richness of endophytic fungi in resistant cultivars are higher than those in susceptible cultivars. The ecological functions of cultivars with different resistances are quite different.
Ethiodized oil as an imaging biomarker after conventional transarterial chemoembolization
Authors: Mendiratta-Lala Mishal , Aslam Anum , Bai Harrison X. , Chapiro Julius , De Baere Thiery , Miyayama Shiro , Chernyak Victoria , Matsui Osamu , Vilgrain Valerie , Fidelman Nicholas
Published: November 2023

Conventional transarterial chemoembolization (cTACE) utilizing ethiodized oil as a chemotherapy carrier has become a standard treatment for intermediate-stage hepatocellular carcinoma (HCC) and has been adopted as a bridging and downstaging therapy for liver transplantation. Water-in-oil emulsion made up of ethiodized oil and chemotherapy solution is retained in tumor vasculature resulting in high tissue drug concentration and low systemic chemotherapy doses. The density and distribution pattern of ethiodized oil within the tumor on post-treatment imaging are predictive of the extent of tumor necrosis and duration of response to treatment. This review describes the multiple roles of ethiodized oil, particularly in its role as a biomarker of tumor response to cTACE.

Clinical relevance

With the increasing complexity of locoregional therapy options, including the use of combination therapies, treatment response assessment has become challenging; Ethiodized oil deposition patterns can serve as an imaging biomarker for the prediction of treatment response, and perhaps predict post-treatment prognosis.

Key Points

• Treatment response assessment after locoregional therapy to hepatocellular carcinoma is fraught with multiple challenges given the varied post-treatment imaging appearance.

• Ethiodized oil is unique in that its’ radiopacity can serve as an imaging biomarker to help predict treatment response.

• The pattern of deposition of ethiodozed oil has served as a mechanism to detect portions of tumor that are undertreated and can serve as an adjunct to enhancement in order to improve management in patients treated with intraarterial embolization with ethiodized oil.
Modified balloons to prepare severely calcified coronary lesions before stent implantation: a systematic review and meta-analysis of randomized trials
Authors: Scalamogna Maria , Kuna Constantin , Voll Felix , Aytekin Alp , Lahu Shqipdona , Kessler Thorsten , Kufner Sebastian , Rheude Tobias , Sager Hendrik B. , Xhepa Erion , Wiebe Jens , Joner Michael , Ndrepepa Gjin , Kastrati Adnan , Cassese Salvatore
Published: November 2023

Background

The performance of modified balloons (namely cutting or scoring balloons) to prepare severely calcified lesions in patients undergoing percutaneous coronary intervention (PCI) remains controversial. We investigated the clinical and imaging outcomes of patients undergoing PCI assigned to modified balloon therapy to prepare severely calcified coronary lesions before stent implantation.

Methods

In this meta-analysis, we aggregated the study-level data from trials enrolling invasively treated patients who were randomly assigned to modified balloon or control therapy to prepare severely calcified lesions before stenting. The primary outcome was major adverse cardiac events (MACE), including death, myocardial infarction (MI), and repeat revascularization. The secondary outcomes included the individual components of the primary outcome, coronary perforation and final minimal stent area (MSA) as measured by intracoronary imaging.

Results

A total of 648 participants in six trials were allocated to modified balloon therapy (n = 335) or control therapy (semi-compliant, non-compliant, or super high-pressure balloon, n = 313). The median follow-up was 11 months. Overall, MACE occurred in 8.96% of patients assigned to a modified balloon and 12.78% of patients assigned to control therapy [risk ratio = 0.70, 95% confidence interval (CI) 0.35–1.39; P = 0.24]. There was a significant treatment effect-by-modified balloon type interaction for the outcome MACE in patients assigned to cutting balloon compared with control therapy [RR = 0.40 (0.28–0.56), P for interaction (Pint) < 0.001]. Patients treated with a modified balloon compared with control therapy showed neither a significant difference for the other clinical outcomes nor for final MSA [standardized mean difference = 0.67 (− 0.71, 2.06); P = 0.26].

Conclusions

In patients treated with PCI for severely calcific coronary artery disease a strategy of lesion preparation with a modified balloon before stenting does not improve clinical or imaging outcomes compared with control therapy. The different performance of cutting and scoring balloons warrants further investigation.

Graphical Abstract
Activation of the integrated stress response rewires cardiac metabolism in Barth syndrome
Authors: Kutschka Ilona , Bertero Edoardo , Wasmus Christina , Xiao Ke , Yang Lifeng , Chen Xinyu , Oshima Yasuhiro , Fischer Marcus , Erk Manuela , Arslan Berkan , Alhasan Lin , Grosser Daria , Ermer Katharina J. , Nickel Alexander , Kohlhaas Michael , Eberl Hanna , Rebs Sabine , Streckfuss-Bömeke Katrin , Schmitz Werner , Rehling Peter , Thum Thomas , Higuchi Takahiro , Rabinowitz Joshua , Maack Christoph , Dudek Jan
Published: November 2023

Barth Syndrome (BTHS) is an inherited cardiomyopathy caused by defects in the mitochondrial transacylase TAFAZZIN (Taz), required for the synthesis of the phospholipid cardiolipin. BTHS is characterized by heart failure, increased propensity for arrhythmias and a blunted inotropic reserve. Defects in Ca2+-induced Krebs cycle activation contribute to these functional defects, but despite oxidation of pyridine nucleotides, no oxidative stress developed in the heart. Here, we investigated how retrograde signaling pathways orchestrate metabolic rewiring to compensate for mitochondrial defects. In mice with an inducible knockdown (KD) of TAFAZZIN, and in induced pluripotent stem cell-derived cardiac myocytes, mitochondrial uptake and oxidation of fatty acids was strongly decreased, while glucose uptake was increased. Unbiased transcriptomic analyses revealed that the activation of the eIF2α/ATF4 axis of the integrated stress response upregulates one-carbon metabolism, which diverts glycolytic intermediates towards the biosynthesis of serine and fuels the biosynthesis of glutathione. In addition, strong upregulation of the glutamate/cystine antiporter xCT increases cardiac cystine import required for glutathione synthesis. Increased glutamate uptake facilitates anaplerotic replenishment of the Krebs cycle, sustaining energy production and antioxidative pathways. These data indicate that ATF4-driven rewiring of metabolism compensates for defects in mitochondrial uptake of fatty acids to sustain energy production and antioxidation.
Serum apelin-12 and obesity-related markers in Egyptian children with Down syndrome
Authors: Yahia Sohier , Salem Nanees A. , El-Hawary Amany , Salem Mohamed , El-Farahaty Reham M. , EL-gilany Abd El-Hady , Shoaib Rasha M. S. , Noureldin Mohamed Ahmed
Published: November 2023

Children with Down syndrome (DS) exhibit higher overweight/obesity rates than their typically developing peers. Apelin-12 is a bioactive adipokine that exerts vital roles in obesity-related cardiometabolic comorbidities. To date, apelin-12 has not been investigated in obese-DS. This study aimed to explore the possible association between serum apelin-12 and obesity-related markers and to evaluate the efficiency of apelin-12 in the prediction of metabolic syndrome (MetS) in obese-DS compared to BMI Z-score matched obese-control. The cross-sectional study included 150 prepubertal children classified into three groups; obese-DS (n = 50), obese-control (n = 50), and normal-weight-control (n = 50). Anthropometric parameters, body adiposity, fasting serum levels of blood glucose (FBG), insulin, lipid profile, and apelin-12 were evaluated. Homeostasis model assessment of insulin resistance (HOMA-IR) was calculated from FBG and insulin. MetS was defined using Adult Treatment Panel III criteria modified for the pediatric age group. ROC curves were analyzed to evaluate the efficiency of apelin-12 in predicting MetS in obesity groups. Obese-DS exhibited higher body adiposity with marked central fat distribution, atherogenic lipid profile, and higher HOMA-IR compared to obese-control. Apelin-12 was significantly higher in obese-DS and obese-DS with MetS compared to obese-control and obese-control with MetS respectively (p < 0.001). The increase in apelin-12 with higher obesity grades was pronounced in obese-DS. Apelin-12 strongly correlated with body adiposity, several MetS risk factors, and HOMA-IR in obese-DS. Significantly higher AUC for apelin-12 in the diagnosis of MetS among obese-DS than obese-control (AUC = 0.948 vs. AUC = 0.807; p = 0.04).

Conclusions: The current study supports the crucial role of apelin-12 in obesity-related clinical and biochemical markers and in MetS in obese-DS and obese-control. Serum apelin-12 is a potential diagnostic biomarker for MetS with greater performance in obese-DS than obese-control raising its potential for clinical and therapeutic applications.

What is Known:• Obese-DS children displayed excess body adiposity, Pronounced central fat distribution, atherogenic lipid profile, higher HOMA-IR, and higher prevalence of MetS than obese-control.

What is New:• Higher serum apelin-12 was observed in obese-DS and obese-DS with MetS than obese-control and obese-control with MetS respectively. The increase in apelin-12 level with increasing obesity grades was more pronounced in obese-DS.• Apelin-12 strongly correlated with obesity-related markers and MetS components in obese-DS. Apelin-12 performed better as a diagnostic biomarker for MetS in obese-DS than obese-control.
Comparison of different modern irrigation system adopters through socio-economic, innovation characteristics and social capital values
Authors: Yazdanpanah Masoud , Zobeidi Tahereh , Mirzaei Abbas , Löhr Katharina , Warner Laura A. , Lamm Alexa , Rouzaneh Davoud , Sieber Stefan
Published: November 2023

Diffusion of modern irrigation systems is one of the most important objectives of Iranian water policies targeting the sustainable use of water resources to resolve the water crisis. Despite considerable policy support, high subsidization, and a range of benefits, farmers have only minimally adopted modern irrigation systems in most parts of Iran. Therefore, the water crisis persists in almost all parts of the country. Thus, decision makers must recognize why diffusion of these systems has not been successful among farmers despite strong financial and political support. The aim of the current study was to investigate differences between adoption groups of modern irrigation systems and more critically whether the aspects affecting approval were altered by ongoing diffusion prejudiced by policy support. In other words, we explored the postponement of adoption among the early and the later adopters of modern irrigation systems and aimed to identify reasons behind different adoption behaviors. To achieve these aims, we developed a research framework of adoption that integrates multiple theories. In addition to the already established measures (human and physical capital), the current study integrated social capital and technology characteristics. A cross-sectional survey was carried out in Behbahan district in Khuzestan province southwest Iran. A total of 274 farmers were interviewed, of which 100 farmers had not and 174 farmers had adopted modern irrigation systems. A multinomial logit model was applied by using STATA14 to identify the most effective factors for farmers’ adoption decisions. We distinguished four groups; three consisted of adopters (early, middle, and late adopters) and a fourth group of non-adopters who did not accept modern irrigation technologies. The study found that farmers’ delayed adoption of drip irrigation technologies was due to the complexity of the application process and the availability of family and work social capital. Additionally, the study suggested that improved trust in institutions could increase the likelihood of earlier adoption of these technologies. The results also revealed divergent perspectives among pioneer (early adopters), follower (middle adopter), and laggard (late adopter) farmers regarding the adoption of drip irrigation technologies.
Molecular characterization and biofilm formation ability of Enterococcus faecium and Enterococcus faecalis bloodstream isolates from a Chinese tertiary hospital in Beijing
Authors: Yang Jing-xian , Liu Cun-wei , Wu Fu-wei , Zhu Ling , Liang Guo-wei
Published: November 2023

To investigate the molecular characteristics and biofilm-forming ability of 116 Enterococcus faecium (Efm) and 72 Enterococcus faecalis (Efs) isolates obtained from patients with bloodstream infections (BSI) at a Chinese hospital between July 2011 and March 2018. The presence of glycopeptide resistance genes and five virulence genes (esp, gelE, asa1, hyl, and cylA) was screened using two multiplex PCR. MLST was used to assess the clonality. Crystal violet staining was used to detect biofilms. Vancomycin resistance was detected in 30.1% of Efm and 2.8% of Efs isolates, respectively. All VRE strains carried the vanA gene. The esp, gelE, asa1, and cylA genes in 72 Efs strains were detected at 62.5%, 84.7%, 84.7%, and 69.4%, respectively. Among the 116 Efm isolates, 74.1% and 25.8% carried esp and hyl, respectively. The esp gene was significantly associated with vancomycin-resistant Efm (VREfm) compared to vancomycin-susceptible Efm (VSEfm). In total, 91.7% of Efs and 20.0% of Efm produced biofilms. Twenty-six STs were identified among the 72 Efs isolates, with ST4 (29.2%) being the predominant. In total, 116 Efm strains were grouped into 26 STs, with ST78 (46.6%) being the predominant. Both VREfm (41.7%) and VSEfm (48.8%) were dominant in ST78. There is no clear evidence suggesting that some STs are associated with vancomycin resistance or biofilm formation. Both Efm and Efs BSI isolates showed a polyclonal pattern with a dominant clone and many unique types, implying the coexistence of clonal dissemination and an influx of new clones. The horizontal transmission of resistance genes may play a more important role in VREfm prevalence than clonal expansion.
Sustainable composite cement prepared by two different types of iron slag
Authors: Heikal Mohamed , Ali Mohamed A. , Ibrahim Sahar M. , Bendary Hazem I.
Published: November 2023

The utilization of two kinds of iron slag in the production of pozzolanic cement is introduced. A series was created with a fixed percentage of OPC (30%) and varying amounts of imported granulated blast-furnace slag (IGBFS) and air-cooled slag (ACS) at which imported IGBFS was substituted by ACS with the mass ratios of 10, 20, and 30%. Physico-mechanical properties and hydration parameters of the hardened pastes were examined at different time intervals. Furthermore, the aggressive attack of seawater on chosen specimens was studied for up to one year of immersion. The hardened composite cement pastes were tested in terms of weight loss, compressive strength, bulk density, total porosity, and free lime at different thermally treated temperatures starting at 105 °C and ending at 800 °C for 2 h of a socking period to investigate its thermal characteristics. XRD, IR, and DTA/TGA techniques were used to examine some chosen samples. The results revealed that the incorporation of ACS reduces the water consistency and prolongs setting times. Compressive strengths are higher in samples containing 10% ACS than those specimens containing 20–30 wt% and without ACS. A 7% reduction in the compressive strength was achieved by A1 (30%OPC and 70% IGBFS), which is the lowest one over 1 year of exposure to seawater. The incorporation of ACS at the expense of IGBFS tends to lower the strength but tends to enhance the bulk density.
Co–Fe–oxide nanoparticles supported on the various highly dispersed matrices: the effect of the carrier on structural and magnetic properties
Authors: Dyachenko Alla , Terpilowski Konrad , Ischenko Olena , Sulym Iryna , Sternik Dariusz , Pakhlov Eugen , Borysenko Mykola , Storozhuk Lyudmila , Andriyko Lyudmila , Goncharuk Olena
Published: November 2023

Abstracts

A series of mixed oxides was synthesized by deposition of the guest phase on the highly dispersed oxide matrix. Fumed nanooxides SiO2, Al2O3, SiO2/Al2O3, and SiO2/Al2O3/TiO2 with the specific surface area of 65–91 m2/g were selected as highly dispersed matrices. Co–Fe mixed oxides with the general formula Co4xFexOy (Co: Fe = 4: 1) were deposited as the guest oxides using the two-step method: (i) solvate-stimulated modification of the surface of fumed nanocarriers with the mixture of cobalt nitrate (II) and iron (III) formate and (ii) subsequent heat treatment up to 600 °C to form Co4xFexOy. The aim of this paper was to study the influence of the composition and structure of fumed oxide matrices and deposited guest phase on the morphology of the resulting composites in the gaseous and aqueous media using the XRD, XPS, FTIR, nitrogen adsorption and SEM/EDX, as well as quasi-elastic light scattering (QELS) methods. The low-temperature nitrogen adsorption isotherms have a sigmoidal shape with a narrow hysteresis loop characteristic of mesoporous materials. The specific surface area (SBET) of the composites varies from 48 to 82 m2/g, showing a tendency towards a decrease in the SBET values by 10–26% in comparison with the initial nanocarriers. The SEM data show the denser aggregate structure of nanocomposites compared to the initial carriers. The primary particle size was in the 30–60 nm range and the EDX data confirm the formation of a guest phase on the mixed aluminosilicate carriers, mainly in the surface patches corresponding to the alumina structure. According to the QELS data, there is a tendency to form aggregates of 100–10 μm in size in the aqueous media. The XRD method shows that the deposited metal oxides are in the form of crystalline phases of Co3O4 with the crystallites of 25–26 nm in size for the individual SiO2 and Al2O3 nanocarriers and 34–37 for the mixed ones, but the iron oxide reflections were not identified for the composites. XPS observation demonstrates the signal of Fe 2p electrons as the form of Fe2O3 oxide in the surface layer of nanocomposites as well as Co 2p as the Co3O4 and Co(OH)2.
Tyrosine kinase inhibitors (TKIs) for ovarian cancer treatment: from organic to inorganic chemotherapeutics towards selectivity—a perspective overview
Authors: Baglini Emma , Chiaverini Lorenzo , Tolbatov Iogann , Taliani Sabrina , Da Settimo Federico , La Mendola Diego , Barresi Elisabetta , Marzo Tiziano
Published: November 2023

Ovarian cancer (OC) is a lethal gynecologic cancer in industrialized countries. Treatments for OC include the surgical removal and chemotherapy. In the last decades, improvements have been made in the surgery technologies, drug combinations and administration protocols, and in diagnosis. However, mortality from OC is still high owing to recurrences and insurgence of drug resistance. Accordingly, it is urgent the development of novel agents capable to effectively target OC. In this respect, tyrosine kinase inhibitors (TKIs) may play an important role. Most of TKIs developed and tested so far are organic. However, owing to their chemical versatility, also metals can be exploited to design selective and potent TKIs. We provide a short and easy-to-read overview on the main organic TKIs with a summary of those that entered clinical trials. Additionally, we describe the potential of metal-based TKIs, focusing on this overlooked family of compounds that may significantly contribute towards the concept of precision-medicine.
Shhh… Do Gender-Diverse Boards Prioritize Product Market Concerns Over Capital Market Incentives?
Authors: Naidu Dharmendra , Ranjeeni Kumari
Published: November 2023

We examine whether gender-diverse boards prioritize product market concerns over capital market incentives when proprietary costs are high. We argue that gender-diverse boards protect their firm’s competitive edge and maximize long-term shareholder wealth by ethically and carefully maintaining the confidentiality of proprietary information. Due to the reduced disclosure of proprietary information, firms with gender-diverse boards are likely to face more adverse selection when proprietary costs are high. However, the reduced disclosure of proprietary information enables firms with gender-diverse boards to enhance and maintain their competitive edge and gain higher long-term returns. Using a matched sample of the United States-listed companies, we find that firms with gender-diverse boards, relative to similar firms with all-male boards, (1) are associated with higher adverse selection costs and (2) higher long-run stock returns when the firm faces high product market competition. Collectively, our results suggest that firms with gender-diverse boards, which initially experience higher adverse selection in a competitive environment, are rewarded with a net gain of about 10 percent of their stock price in three years. Our research contributes to the literature by highlighting the importance of board gender diversity in fostering the ethical redaction of proprietary information for proprietary cost-based motives as opposed to agency cost-based motives. Our findings have important implications for regulators, firms, and shareholders by identifying gender-diverse boards as an antecedent for the ethical redaction of proprietary information.
Multiple dimensions of extreme weather events and their impacts on biodiversity
Authors: González-Trujillo Juan David , Román-Cuesta Rosa M. , Muñiz-Castillo Aarón Israel , Amaral Cibele H. , Araújo Miguel B.
Published: November 2023

Climate change is a multidimensional phenomenon. As such, no single metric can capture all trajectories of change and associated impacts. While numerous metrics exist to measure climate change, they tend to focus on central tendencies and neglect the multidimensionality of extreme weather events (EWEs). EWEs differ in their frequency, duration, and intensity, and can be described for temperature, precipitation, and wind speed, while considering different thresholds defining “extremeness.” We review existing EWE metrics and outline a framework for classifying and interpreting them in light of their foreseeable impacts on biodiversity. Using an example drawn from the Caribbean and Central America, we show that metrics reflect unequal spatial patterns of exposure across the region. Based on available evidence, we discuss how such patterns relate to threats to biological populations, empirically demonstrating how ecologically informed metrics can help relate EWEs to biological processes such as mangrove recovery. Unveiling the complexity of EWE trajectories affecting biodiversity is only possible through mobilisation of a plethora of climate change metrics. The proposed framework represents a step forward over assessments using single dimensions or averages of highly variable time series.
Bone morphogenetic protein 6 induces downregulation of pentraxin 3 expression in human granulosa lutein cells in women with polycystic ovary syndrome
Authors: Xin Xin , Chang Hsun-Ming , Leung Peter C. K. , Dong Li , Li Jiaxi , Lian Fang , Wu Haicui
Published: November 2023

Purpose

To evaluate whether PTX3 is differentially expressed in the granulosa lutein cells derived from women with PCOS and whether BMP6 can regulate the expression of PTX3 in hGL cells.

Methods

The expression levels of BMP6 and PTX3 in granulosa lutein cells were evaluated by RT-qPCR. The correlation between the expression levels of BMP6 /PTX3 and oocyte quality indexes were analyzed using clinical samples. The cells were incubated with BMP6 at different concentrations and times to check the expression of PTX3 in KGN cells. TGF-β type I inhibitors and small interfering RNA targeting ALK2/3/6,SMAD1/5/8 and SMAD4 were used to study the involvement of SMAD dependent pathways in KGN cells.

Results

The levels of BMP6 in hGL cells were negatively correlated with the corresponding oocyte maturation rate and high-quality embryo rate, whereas the levels of PTX3 were positively correlated with the corresponding oocyte maturation rate in PCOS. Additionally, the in vitro cell cultured results showed BMP6 significantly inhibited the expression of PTX3 in KGN cells. Furthermore, using a dual inhibition approach (kinase inhibitors and small interfering RNAs), we identified the ALK2/ALK3 type I receptors and BMPR2/ACVR2A type II receptors and the downstream SMAD1/SMAD5-SMAD4 signaling pathway were responsible for the BMP6-induced cellular activities in KGN cells.

Conclusions

The suppressive effect of BMP6 on PTX3 was mediated by ALK2/ALK3 type I receptors and BMPR2/ACVR2A type II receptors in granulosa cells through the SMAD1/5-SMAD4 dependent signaling pathway in PCOS.Our findings provides new insights into the understanding of the pathogenesis of PCOS-related ovulatory disorders.
Development of in situ crosslinked hyaluronan as an adjunct to vitrectomy surgery
Authors: Suzuki Kiyoshi , Watanabe Ippei , Tachibana Takashi , Mori Kenichiro , Ishikawa Keijiro , Ishibashi Tatsuro , Uchio Eiichi , Sonoda Koh-Hei , Hisatomi Toshio
Published: November 2023

Ophthalmologists have used hyaluronan (HA) products as adjuncts to ocular surgery since the 1970s. However, HA products are not always functional in surgeries of the posterior eye segment due to their lack of biomechanical strength. In this study, we developed an in situ crosslinked HA (XL-HA) and evaluated its potential as an adjunct to vitrectomy surgery in an in vitro model with a triamcinolone acetonide (TA) layer used as a pseudo residual vitreous cortex (RVC). Within a few minutes at concentrations over 0.9%, XL-HA, generated by the click chemistry of HA-dibenzocyclooctyne and HA-azidoethylamine, formed a hydrogel with the appropriate hardness for tweezers peeling. XL-HA (concentration, 0.76–1.73%) without dispersion successfully entered the TA layer and removed more than 45% of the total TA. Dynamic viscoelasticity helps to explain the rheological behavior of hydrogels, and the assessment results for XL-HA indicated that suitable concentrations were between 0.97% and 1.30%. For example, 1.30% XL-HA hydrogel reached sufficient hardness at 3 min for tweezers peeling, and the TA removal ability exceeded 70%. These results demonstrated that XL-HA was a potential adjunct to successful vitrectomy.

Graphical Abstract
A randomised controlled trial to investigate the feasibility and acceptability of a small change approach to prevent weight gain
Authors: Graham Henrietta , Madigan Claire , Daley Amanda J.
Published: November 2023

A weight gain prevention strategy showing merit is a small change approach (increase energy expenditure and/or decrease energy intake by 100–200 kcal/day). Studies have tested a small change approach in intensive interventions involving multiple contacts, unsuitable for delivery at scale. The aim here was to assess the feasibility and acceptability of a remote small change weight gain prevention intervention. A randomised controlled trial of 122 participants was conducted. The intervention was a remote 12-week small change weight gain prevention programme (targeting dietary and/or physical activity behaviours). The comparator group received a healthy lifestyle leaflet. Data were collected at baseline and 12-weeks. The primary outcome was the feasibility and acceptability, assessed against three stop–go traffic light criteria: retention, number of participants randomised per month and adherence to a small change approach. Participants’ opinions of a small change approach and weight change were also measured. The traffic light stop–go criteria results were green for recruitment (122 participants recruited in three months) and retention (91%) and red for intervention adherence. Most participants (62%) found a small change approach helpful for weight management and the mean difference in weight was − 1.1 kg (95% CI − 1.7, − 0.4), favouring the intervention group. Excluding intervention adherence, the trial was feasible and acceptable to participants. Despite adherence being lower than expected, participants found a small change approach useful for weight management and gained less weight than comparators. With refinement to increase intervention adherence, progress to an effectiveness trial is warranted.

ISRCTN18309466: 12/04/2022 (retrospectively registered).
Dynamics of Interacting Monomial Scalar Field Potentials and Perfect Fluids
Authors: Alho Artur , Bessa Vitor , Mena Filipe C.
Published: November 2023

Motivated by cosmological models of the early universe we analyse the dynamics of the Einstein equations with a minimally coupled scalar field with monomial potentials $$V(\phi )=\frac{(\lambda \phi )^{2n}}{2n}$$

V

(
ϕ
)

=

(
λ
ϕ
)

2
n

2
n

, $$\lambda >0$$

λ
>
0

, $$n\in {\mathbb {N}}$$

n
∈
N

, interacting with a perfect fluid with linear equation of state $$p_{\textrm{pf}}=(\gamma _{\textrm{pf}}-1)\rho _{\textrm{pf}}$$

p
pf

=

(

γ
pf

-
1
)

ρ
pf

, $$\gamma _{\textrm{pf}}\in (0,2)$$

γ
pf

∈

(
0
,
2
)

, in flat Robertson–Walker spacetimes. The interaction is a friction-like term of the form $$\Gamma (\phi )=\mu \phi ^{2p}$$

Γ

(
ϕ
)

=
μ

ϕ

2
p

, $$\mu >0$$

μ
>
0

, $$p\in {\mathbb {N}}\cup \{0\}$$

p
∈
N
∪
{
0
}

. The analysis relies on the introduction of a new regular 3-dimensional dynamical systems’ formulation of the Einstein equations on a compact state space, and the use of dynamical systems’ tools such as quasi-homogeneous blow-ups and averaging methods involving a time-dependent perturbation parameter.
Rigorous derivation of the Efimov effect in a simple model
Authors: Fermi Davide , Ferretti Daniele , Teta Alessandro
Published: November 2023

We consider a system of three identical bosons in $$\mathbb {R}^3$$

R

3

with two-body zero-range interactions and a three-body hard-core repulsion of a given radius $$ a > 0$$

a
>
0

. Using a quadratic form approach, we prove that the corresponding Hamiltonian is self-adjoint and bounded from below for any value of a. In particular, this means that the hard-core repulsion is sufficient to prevent the fall to the center phenomenon found by Minlos and Faddeev in their seminal work on the three-body problem in 1961. Furthermore, in the case of infinite two-body scattering length, also known as unitary limit, we prove the Efimov effect, i.e., we show that the Hamiltonian has an infinite sequence of negative eigenvalues $$E_n$$

E
n

accumulating at zero and fulfilling the asymptotic geometrical law $$\;E_{n+1} / E_n \; \rightarrow \; e^{-\frac{2\pi }{s_0}}\,\; \,\text {for} \,\; n\rightarrow +\infty $$

E

n
+
1

/

E
n

→

e

-

2
π

s
0

for

n
→
+
∞

holds, where $$s_0\approx 1.00624$$

s
0

≈
1.00624

.
The risk of normative bias in reporting empirical research: lessons learned from prenatal screening studies about the prominence of acknowledged limitations
Authors: Nakou Panagiota , Bennett Rebecca
Published: November 2023

Empirical data can be an extremely powerful and influential tool in bioethical research. However, when researchers or policy makers look for answers to ethical questions by engaging with empirical research, there can be a tendency (conscious or unconscious) to shape, report, and use empirical research in a way that confirms their own preferred ethical conclusions. This skewing effect - what we call ‘normative bias’ - is often so subtle it falls short of clear misconduct and thus can be difficult to call out. However, we argue that this subtle influence of bias has the potential to significantly influence debate and policy around highly sensitive ethical issues and must be guarded against. In this paper we share the lessons we have learned through a journey of self-reflection around the effect that normative bias can have when reporting on and referring to empirical data relating to ethical issues. We use a variety of papers from our area of the ethics of routine prenatal screening to illustrate these subtle but often powerfully distorting effects of bias. Our aim in doing so is not to criticise the work of others, as we recognise our own normative bias, but to improve awareness of this issue, remind the need for reflexivity to guard against our own biases, and introduce a new criterion - the idea of a ‘limitation prominence assessment’ - that can work as a practical way to evaluate the seriousness of the limitations of an empirical study and thus, the risks of the study being misread or misinterpreted through superficial reading.
A new multispectral index for canopy nitrogen concentration applicable across growth stages in ryegrass and barley
Authors: Patel Manish Kumar , Ryu Dongryeol , Western Andrew W. , Fitzgerald Glenn J. , Perry Eileen M. , Suter Helen , Young Iain M.
Published: November 2023

Accurately monitoring Canopy Nitrogen Concentration (CNC) is a prerequisite for precision nitrogen (N) fertiliser management at the farm scale with carbon and N budgeting across the landscape and ecosystems. While many spectral indices have been proposed for CNC monitoring, their applicability and accuracy are often adversely affected by confounding factors such as aboveground biomass (AGB), crop type, growth stages, and environmental conditions, limiting their broader application and adoption; with AGB being one of the most dominant signals and confounding factors at canopy scale. The confounding effect can become more challenging as AGB is also physiologically linked with CNC across the growth stages. Additionally, the interplay between index form, selection of optimal wavebands and their bandwidths remains poorly understood for CNC index design. This study proposes robust and cost-effective 2- and 4-waveband multispectral (MS) CNC indices applicable across a wide range of crop conditions. We collected 449 canopy reflectance spectra (400–980 nm) together with corresponding CNC and AGB measurements across four growth stages of ryegrass (winter and summer), and five growth stages of barley (winter-spring) in Victoria, Australia, in 2018 and 2019. All possible waveband (400–980 nm) combinations revealed that the best combination varied between seasons and crop types. However, the visible spectrum, particularly the blue region, presented high and consistent performance. Bandwidths of 10–40 nm outperformed either very narrow (2 nm) or very broad bandwidths (80 nm). The newly developed 2-waveband index (416 and 442 nm with 10-nm bandwidth; R2 = 0.75 and NRMSE = 0.2) and 4-waveband index (512, 440, 414 and 588 nm with 40-nm bandwidth; R2 = 0.81 and NRMSE = 0.17) exhibited the best performance, while validation with an independent dataset (from a different growing period to those used in the model development) obtained NRMSE values of 0.25 and 0.24, respectively. The 4-waveband index provides enhanced performance and permits use of broader bandwidths than its 2-waveband counterpart.
The evaluation of productivity in South African deciduous fruit industry: evidence from stone and pome fruits
Authors: Myeki Lindikaya W. , Temoso Omphile , Nyhodo Bonani
Published: November 2023

This study examines the total factor productivity (TFP) of the South African deciduous fruit sector over an 8-year period (2014–2021), using industry-level data for five fruit types (apples, pears, plums, apricots, and peaches). TFP growth was estimated using the Färe-Primont (FP) index and decomposed into technical change (TECH) and efficiency change (TFPE). The results show that the TFP of the industry increased by 27% (3.53% per year) due to a 35% (4.38% per year) increase in technical change, while TFPE decreased by 6% (−0.81% per year). The TFPE breakdown into technical efficiency (OTE) and scale-mix efficiency (OSME) reveals that 6% decrease in OSME was entirely responsible for TFPE slowdown, while OTE remained unchanged. While both sub-sector contributions were significant, stone fruit grew at a faster rate (32%, or 4.05% per year) than the pome sub-sector (21%, or 2.74% per year). Overall, entire industry, sub-sectors, and fruit types show that TECH was key to TFP growth, whereas TFPE slowed it. Investments in efficiency support programmes have the potential to enhance sector growth.
Quantitative and Qualitative Assessment of Urinary Activity of 18F-Flotufolastat-PET/CT in Patients with Prostate Cancer: a Post Hoc Analysis of the LIGHTHOUSE and SPOTLIGHT Studies
Authors: Kuo Phillip H. , Hermsen Rick , Penny Ross , Postema Ernst J.
Published: November 2023

Purpose

To evaluate the impact of urinary activity on interpretation of 18F-flotufolastat (18F-rhPSMA-7.3) PET/CT, we conducted a post hoc qualitative and quantitative analysis of scans acquired in two phase 3 studies of 18F-flotufolastat.

Procedures

Newly diagnosed or recurrent prostate cancer patients enrolled in LIGHTHOUSE (NCT04186819) or SPOTLIGHT (NCT04186845), respectively, underwent PET/CT 50–70 min after intravenous administration of 296 MBq 18F-flotufolastat. For the present analysis, 718 18F-flotufolastat scans (352 from LIGHTHOUSE and 366 from SPOTLIGHT) were re-evaluated by three board-certified nuclear medicine physicians. Reader 1 performed a quantitative assessment (SUVmax and SUVmean) of bladder activity in a circular region-of-interest over the maximum diameter of bladder activity in the transverse plane. All three readers qualitatively assessed the impact of any urinary activity in the bladder on image interpretation using a three-point scale (0 = no/minimal visible urinary activity, 1 = urinary activity visible but distinction between urine and disease possible and 2 = assessment inhibited by urinary activity) and the presence/absence of ureteric activity and halo artifacts.

Results

In total, 712/718 scans were evaluable. Reasons for exclusion were cystectomy, renal failure, or urinary catheter in situ (n = 2 each). The median bladder SUVmax and SUVmean were 17.1 and 12.5, respectively. By majority read, 682/712 (96%) patients had either no urinary activity (score = 0) or visible activity that could be distinguished from disease uptake (score = 1). In the minority of patients (24, 3.4%) where urinary activity did impact assessment (score = 2), the median bladder SUVmean was higher (20.5) than those scored 0 (3.8) or 1 (14.0). Ureteric activity was absent in 401 (56%) patients. Halo artifacts were observed in only two (0.3%) patients (majority read).

Conclusions

18F-Flotufolastat urinary activity did not influence disease assessment for the majority of patients. While this study was not designed as a head-to-head comparison, the median bladder SUVs are lower than previously reported values for other renally cleared PSMA-PET radiopharmaceuticals.
Adjusted Residuals for Evaluating Conditional Independence in IRT Models for Multistage Adaptive Testing
Authors: van Rijn Peter W. , Ali Usama S. , Shin Hyo Jeong , Joo Sean-Hwane
Published: November 2023

The key assumption of conditional independence of item responses given latent ability in item response theory (IRT) models is addressed for multistage adaptive testing (MST) designs. Routing decisions in MST designs can cause patterns in the data that are not accounted for by the IRT model. This phenomenon relates to quasi-independence in log-linear models for incomplete contingency tables and impacts certain types of statistical inference based on assumptions on observed and missing data. We demonstrate that generalized residuals for item pair frequencies under IRT models as discussed by Haberman and Sinharay (J Am Stat Assoc 108:1435–1444, 2013. https://doi.org/10.1080/01621459.2013.835660) are inappropriate for MST data without adjustments. The adjustments are dependent on the MST design, and can quickly become nontrivial as the complexity of the routing increases. However, the adjusted residuals are found to have satisfactory Type I errors in a simulation and illustrated by an application to real MST data from the Programme for International Student Assessment (PISA). Implications and suggestions for statistical inference with MST designs are discussed.
The iBuddy experience: A digital simulation-based approach to enhance secondary school students’ privacy awareness
Authors: Botturi Luca , Fioroni Tiffany , Beretta Chiara , Andreoletti Davide , Ferrari Alessandro , Cardoso Felipe , Picco-Schwendener Anna , Marazza Suzanna , Giordano Silvia
Published: November 2023

Privacy is a central issue in the digitalization of society and directly concerns all Internet users. Privacy education is part of the picture of a more just digital society: it aims at making users more aware of the importance of their data and of the technical and financial tools and processes that involve their personal data. Nonetheless, privacy education is confronted with a paradox: while people perceive the importance of privacy, they seldom take action to actually protect their personal data. iBuddy is a narrative simulation-based session inspired by research evidence about the privacy paradox and aims to (a) enhancing awareness and (b) promoting the uptake of privacy-safe behaviors for secondary and higher students (age range 11–20). The paper presents the design and development of the simulation and of the following modular debriefing, as a case study in evidence-based collaborative instructional design and in the instructional used of digital technology. The evaluation of iBuddy, which combined a post-session satisfaction and perceived learning survey (N = 978) and a follow-up survey (N = 124), provides insights in the novel domain of privacy education. Results suggests that iBuddy sessions are engaging, effective and conducive to medium-term behavioral change, thus indirectly confirming the design assumptions about how to tackle the privacy paradox through a simulation-based approach.