bluuebunny/crossref_metadata_2025 huggingface dataset:
Sudden wave flooding on steep rock shores: a clear but hidden danger
Authors: Kalisch Henrik , Lagona Francesco , Roeber Volker
Published: December 2023

It is shown that very steep coastal profiles can give rise to unexpectedly large wave events at the coast. We conduct a statistical analysis of runs from a nearshore Boussinesq-type model to demonstrate that under certain wave conditions, which a casual observer would perceive as calm, the likelihood of large run-up events is uncharacteristically high. The data computed by the Boussinesq-type model show that sea states with lower overall wave steepness favor higher run-up. Under these wave conditions, more of the available wave energy reaches the shore, since less wave breaking occurs, which can create a false sense of security for beach-goers.
Stroboscopic control and tracking of periodic states
Authors: Dittus Anna , Kruse Niklas , Wallner Hannes , Böttcher Lukas , Barke Ingo , Speller Sylvia , Starke Jens , Just Wolfram
Published: December 2023

Numerical continuation tools are nowadays standard methods for the bifurcation analysis of dynamical systems. Unfortunately, the full power of these methods is still unavailable in experiments, in particular, if no underlying mathematical model is at hand. We here aim to narrow this gap by providing control based continuation of periodic states which can be ultimately implemented in real-world experimental set-ups. Taking inspiration from atomic force microscopy, we develop experimentally relevant control and tracking tools for time periodic solutions in driven nonlinear oscillator systems based on stroboscopic maps.
Divergent thinking and post-launch entrepreneurial outcomes: non-linearities and the moderating role of experience
Authors: Caliendo Marco , Rodríguez Daniel
Published: December 2023

Divergent thinking is the ability to produce numerous and diverse responses to questions or tasks, and it is used as a predictor of creative achievement. It plays a significant role in the business organization’s innovation process and the recognition of new business opportunities. Drawing upon the cumulative process model of creativity in entrepreneurship, we hypothesize that divergent thinking has a lasting effect on post-launch entrepreneurial outcomes related to innovation and growth, but that this relation might not always be linear. Additionally, we hypothesize that domain-specific experience has a moderating role in this relation. We test our hypotheses based on a representative longitudinal sample of 457 German business founders, which we observe up until 40 months after start-up. We find strong relative effects for innovation and growth outcomes. For survival, we find conclusive evidence for non-linearities in the effects of divergent thinking. Additionally, we show that such effects are moderated by the type of domain-specific experience that entrepreneurs gathered pre-launch, as it shapes the individual’s ideational abilities to fit into more sophisticated strategies regarding entrepreneurial creative achievement. Our findings have relevant policy implications in characterizing and identifying business start-ups with growth and innovation potential, allowing a more efficient allocation of public and private funds.
Flexible, durable, and anti-fouling maghemite copper oxide nanocomposite-based membrane with ultra-high flux and efficiency for oil-in-water emulsions separation
Authors: Mubarak Mahmoud F. , Selim Hanaa , Hawash Hamada B. , Hemdan Mohamed
Published: December 2023

In this study, we developed a novel nanocomposite-based membrane using maghemite copper oxide (MC) to enhance the separation efficiency of poly(vinyl chloride) (PVC) membranes for oil-in-water emulsions. The MC nanocomposite was synthesized using a co-precipitation method and incorporated into a PVC matrix by casting. The resulting nanocomposite-based membrane demonstrated a high degree of crystallinity and well-dispersed nanostructure, as confirmed by TEM, SEM, XRD, and FT-IR analyses. The performance of the membrane was evaluated in terms of water flux, solute rejection, and anti-fouling properties. The pinnacle of performance was unequivocally reached with a solution dosage of 50 mL, a solution concentration of 100 mg L−1, and a pump pressure of 2 bar, ensuring that every facet of the membrane’s potential was fully harnessed. The new fabricated membrane exhibited superior efficiency for oil–water separation, with a rejection rate of 98% and an ultra-high flux of 0.102 L/m2 h compared to pure PVC membranes with about 90% rejection rate and an ultra-high flux of 0.085 L/m2 h. Furthermore, meticulous contact angle measurements revealed that the PMC nanocomposite membrane exhibited markedly lower contact angles (65° with water, 50° with ethanol, and 25° with hexane) compared to PVC membranes. This substantial reduction, transitioning from 85 to 65° with water, 65 to 50° with ethanol, and 45 to 25° with hexane for pure PVC membranes, underscores the profound enhancement in hydrophilicity attributed to the heightened nanoparticle content. Importantly, the rejection efficiency remained stable over five cycles, indicating excellent anti-fouling and cycling stability. The results highlight the potential of the maghemite copper oxide nanocomposite-based PVC membrane as a promising material for effective oil-in-water emulsion separation. This development opens up new possibilities for more flexible, durable, and anti-fouling membranes, making them ideal candidates for potential applications in separation technology. The presented findings provide valuable information for the advancement of membrane technology and its utilization in various industries, addressing the pressing challenge of oil-induced water pollution and promoting environmental sustainability.

Graphical Abstract
Nicht sehen – nicht hören – nicht denken
Authors: Möller Heidi , Giernalczyk Thomas
Published: December 2023

Der Beitrag setzt sich mit der Diskrepanz zwischen öffentlichem Bekenntnis zur Nachhaltigkeit auf der einen Seite und heftiger Abwehr gegen nachhaltiges Handeln auf der anderen Seite auseinander. Die Autor:innen beziehen sich auf die psychoanalytische Kulturtheorie und untersuchen ineinandergreifende Abwehrmechanismen die der kollektiven Ausblendung der Klimakrise dienen. Im zweiten Teil wird der Einfluss von Coaching mit Führungskräften und Entscheider:innen hinsichtlich Nachhaltigkeit reflektiert. Es wird dafür plädiert, Nachhaltigkeit als Bezugskonzept ins Coaching zu integrieren. Abschließend werden hoffnungsvolle Entwicklungen in Bezug auf die Bewältigung der Klimakrise diskutiert.
Relating estimates of wood properties of birch to stem form, age and species
Authors: Jones Grace , Ulan Maria , Liziniewicz Mateusz , Lindeberg Johan , Adamopoulos Stergios
Published: December 2023

Birch has long suffered from a lack of active forest management, leading many researchers to use material without a detailed management history. Data collected from three birch (Betula pendula Roth, B. pubescens Ehrh.) sites in southern Sweden were analyzed using regression analysis to detect any trends or differences in wood properties that could be explained by stand history, tree age and stem form. All sites were genetics trials established in the same way. Estimates of acoustic velocity (AV) from non-destructive testing (NDT) and predicted AV had a higher correlation if data was pooled across sites and other stem form factors were considered. A subsample of stems had radial profiles of X-ray wood density and ring width by year created, and wood density was related to ring number from the pith and ring width. It seemed likely that wood density was negatively related to ring width for both birch species. Linear models had slight improvements if site and species were included, but only the youngest site with trees at age 15 had both birch species. This paper indicated that NDT values need to be considered separately, and any predictive models will likely be improved if they are specific to the site and birch species measured.
Evaluating the Effect of Lactobacillus casei FEGY 9973 and Curcumin on Experimental Giardiasis
Authors: Shady Omima M. Abou , Shalash Ibrahim Ali , Elshaghabee Fouad M. F. , Negm Mohamed S. I. , Yousef Gehad A. B. , Rizk Enas M. A.
Published: December 2023

Background and Objective

Giardia is a parasitic hard protozoan that causes a variety of parasitological and pathological changes in gastrointestinal epithelial cells and is resistant to a variety of disinfectants and treatments. This study used experimental animals infected with Giardia Lamblia to assess the potential therapeutic effect of Lactobacillus casei, Lactobacillus bulgaricus (Lactobacillus in yoghurt) and curcumin in comparison to one of the commonly used drugs (metronidazole).

Methods

The study included 54 Syrian hamsters (Mesocricetus auratus) that ranged in weight from 80 to 100 g and were divided into six groups: The effect of the used preparations was assessed in terms of parasitological and histopathological aspects in Group I non-infected healthy control, Group II infected non-treated, Group III infected treated with metronidazole MTZ, Group IV infected treated with Lactobacillus casei, Group V infected treated with curcumin, and Group VI infected treated with, Lactobacillus bulgaricus (Lactobacillus in yoghurt). The number of G. lamblia cysts per gram of stool was counted during the parasitological examination.

Results

The difference between the infected non-treated group and all the treated groups was statistically significant (P0.05). When compared to the infected untreated group, Lactobacillus casei and, Lactobacillus bulgaricus (Lactobacillus in yoghurt) produced a 100% reduction in G. lamblia cyst shedding, curcumin produced an 87.80% reduction in number of cysts, and metronidazole produced a 78.4% reduction in number of cysts.

Conclusion

Our results highlight the potentially effective therapeutic effect of different preparations of probiotics and curcumin against Giardiasis.
Management of Leak by Intraoperative Megastent Insertion During Revisional Bariatric Metabolic Surgery: a Case Report
Authors: Hany Mohamed , Ibrahim Mohamed , Samir Mohamed , Agayby Ann Samy Shafiq , Torensma Bart
Published: December 2023

We describe gastric tube continuity restoration (gastrogastrostomy) in a patient who underwent revisional laparoscopic one-anastomosis gastric bypass (OAGB) due to weight recurrence after laparoscopic sleeve gastrectomy (SG). The patient sought restoration to SG due to poor quality of life. A postoperative 11-mm leak at the site of the gastrogastrostomy, attributed to adhesions and edema from a marginal ulcer, complicated the procedure. As a result, laparoscopic exploration was performed, followed by insertion of a megastent. We hereby present video documentation of this case report as well as megastent insertion technique for the treatment of such complications.
Development of machine learning models to predict cancer-related fatigue in Dutch breast cancer survivors up to 15 years after diagnosis
Authors: Beenhakker Lian , Wijlens Kim A. E. , Witteveen Annemieke , Heins Marianne , Korevaar Joke C. , de Ligt Kelly M. , Bode Christina , Vollenbroek-Hutten Miriam M. R. , Siesling Sabine
Published: December 2023

Purpose

To prevent (chronic) cancer-related fatigue (CRF) after breast cancer, it is important to identify survivors at risk on time. In literature, factors related to CRF are identified, but not often linked to individual risks. Therefore, our aim was to predict individual risks for developing CRF.

Methods

Two pre-existing datasets were used. The Nivel-Primary Care Database and the Netherlands Cancer Registry (NCR) formed the Primary Secondary Cancer Care Registry (PSCCR). NCR data with Patient Reported Outcomes Following Initial treatment and Long-term Evaluation of Survivorship (PROFILES) data resulted in the PSCCR-PROFILES dataset. Predictors were patient, tumor and treatment characteristics, and pre-diagnosis health. Fatigue was GP-reported (PSCCR) or patient-reported (PSCCR-PROFILES). Machine learning models were developed, and performances compared using the C-statistic.

Results

In PSCCR, 2224/12813 (17%) experienced fatigue up to 7.6 ± 4.4 years after diagnosis. In PSCCR-PROFILES, 254 (65%) of 390 patients reported fatigue 3.4 ± 1.4 years after diagnosis. For both, models predicted fatigue poorly with best C-statistics of 0.561 ± 0.006 (PSCCR) and 0.669 ± 0.040 (PSCCR-PROFILES).

Conclusion

Fatigue (GP-reported or patient-reported) could not be predicted accurately using available data of the PSCCR and PSCCR-PROFILES datasets.

Implications for Cancer Survivors

CRF is a common but underreported problem after breast cancer. We aimed to develop a model that could identify individuals with a high risk of developing CRF, ideally to help them prevent (chronic) CRF. As our models had poor predictive abilities, they cannot be used for this purpose yet. Adding patient-reported data as predictor could lead to improved results. Until then, awareness for CRF stays crucial.
Factors influencing droplet size in pneumatic and ultrasonic atomization and its application in food processing
Authors: Camacho-Lie Mariola , Antonio-Gutiérrez Oscar , López-Díaz Andrea Selene , López-Malo Aurelio , Ramírez-Corona Nelly
Published: December 2023

Droplet size has significant scientific and industrial relevance in the effectiveness of atomization for several applications in the chemical, pharmaceutical, and food industries. This technology is widely employed in the food industry for processes such as spray drying, microencapsulation, edible coatings, and food disinfection, among others. This work comprehensively reviews the effect of liquid properties and equipment operating factors influencing droplet size in pneumatic and ultrasonic atomization. The discussion on the atomization theories includes the different models for estimating droplet size as a function of selected variables for both processes. The different model approaches are reviewed, focusing on their advantages, disadvantages, applications, and limitations. Furthermore, selected models were employed to carry out different sensitivity analyses showing the effect of variables related to the liquid properties, the type and characteristics of the atomizers, and the operating conditions, allowing the reader to appreciate the most critical factors in both atomization systems.
Threshold and suprathreshold component analysis in olfactory dysfunction: a retrospective study
Authors: Brabahar Berenice Stella , Kurien Regi , Panicker Raga , Rebekah Grace , Varghese Lalee
Published: December 2023

Objective

To analyse variations in the n-butanol threshold and odour identification scores of the Connecticut Chemosensory Clinical Research Centre test in various grades of olfactory dysfunction and in different nasal conditions leading to olfactory loss.

Method

Retrospective observational study.

Results

All grades of olfactory dysfunction were predominantly noted among males. In chronic rhinosinusitis, anosmia or severe hyposmia was seen in 87.5 per cent of patients without polyps in comparison with 68 per cent of patients with polyps. In addition, 90 per cent of patients with atrophic rhinitis and post-traumatic loss had anosmia, but only 30.7 per cent of patients with allergic rhinitis had anosmia. Pepper was the most affected smell for all the nasal diseases except atrophic rhinitis, in which asafoetida and baby powder smells were affected more.

Conclusion

In most inflammatory sinonasal conditions, odour identification is relatively preserved even when the threshold is maximally affected. In patients with comparable olfactory dysfunction based on the Connecticut Chemosensory Clinical Research Centre test score, a relatively preserved suprathreshold odour identification score may predict better prognosis.
Evaluation of garlic genotypes for yield performance and stability using GGE biplot analysis and genotype by environment interaction
Authors: Mengistu Fekadu Gebretensay , Mossie Gizachew Atinafu , Fita Getachew Tabor
Published: December 2023

In Ethiopia, the low productivity of garlic is largely due to a shortage of high yielding and stable varieties. To address this issue, thirteen garlic genotypes were evaluated for yield stability and performance across six different environments in central and southeast Ethiopia. The genotypes were analysed using Additive Main effects and Multiplicative Interaction (AMMI) and genotype-by-environment interaction (G × E) methods. Results showed that the genotypes differed significantly for bulb yield performance and morphological traits, with G-020/03 and G-054/03 producing the highest bulb yield with 25.39% and 18.39% yield advantages over the check variety, Kuriftu, respectively. Furthermore, G-020/03 demonstrated better yield stability across most environments, while G-054/03 exhibited specific adaptability. GGE biplot analysis confirmed that these two genotypes were among the three winning genotypes in terms of yield performance and relative stability. Therefore, G-020/03 and G-054/03 have been selected as candidate varieties for release, potentially improving garlic productivity in Ethiopia.
Comment on “Phosphine in the Venusian Atmosphere: A Strict Upper Limit From SOFIA GREAT Observations” by Cordiner et al.
Authors: Greaves Jane S. , Petkowski Janusz J. , Richards Anita M. S. , Sousa‐Silva Clara , Seager Sara , Clements David L.
Published: December 2023

Searches for phosphine in Venus' atmosphere have sparked a debate. Cordiner et al. (2022, https://doi.org/10.1029/2022gl101055) analyze spectra from the Stratospheric Observatory For Infrared Astronomy (SOFIA) and infer <0.8 ppb of PH3. We noticed that some spectral artifacts arose from non‐essential calibration‐load signals. By‐passing these signals allows simpler post‐processing and a 5.7σ candidate detection, suggesting ∼3 ppb of PH3 above the clouds. Compiling six phosphine results hints at an inverted abundance trend: decreasing above the clouds but rising again in the mesosphere from some unexplained source. However, no such extra source is needed if phosphine is undergoing destruction by sunlight (photolysis), to a similar degree as on Earth. Low phosphine values/limits are found where the viewed part of the super‐rotating Venusian atmosphere had passed through sunlight, while high values are from views moving into sunlight. We suggest Venusian phosphine is indeed present, and so merits further work on models of its origins.
The Role of the North Atlantic for Heat Wave Characteristics in Europe, an ECHAM6 Study
Authors: Bischof Sabine , Pilch Kedzierski Robin , Hänsch Martje , Wahl Sebastian , Matthes Katja
Published: December 2023

The recent severe European summer heat waves of 2015 and 2018 co‐occurred with cold subpolar North Atlantic (NA) sea surface temperatures (SSTs). However, a significant connection between this oceanic state and European heat waves was not yet established. We performed two AMIP‐like model experiments: (a) employing daily 2018 SSTs as observed and (b) applying a novel approach to remove the negative NA SST anomaly, while keeping SST daily and small‐scale variability. Comparing these experiments, we find that cold subpolar NA SSTs significantly increase heat wave duration and magnitude downstream over the European continent. Surface temperature and circulation anomalies are connected by the upper‐tropospheric summer wave pattern of meridional winds over the North Atlantic European sector, which is enhanced with cold NA SSTs. Our results highlight the relevance of the subpolar NA region for European summer conditions, a region that is marked by large biases in current coupled climate model simulations.
Prospective Evolution of Meteorological Drought in the Haihe River Basin and Its Connection With Large‐Scale Atmospheric Circulations Using CMIP6 Multimodel Ensemble
Authors: Jin Huiyu , Li Xiao , Zhang Yan , He Li , Zhang Guoshuai , Ma Weichun
Published: December 2023

Climate change modifies monsoon rainfall patterns, leading to significant impacts on future meteorological droughts. This study investigated the spatiotemporal pattern of future precipitation, drought features, and the dynamic mechanisms governing their evolution induced by teleconnected atmospheric circulation in the Haihe River Basin, situated in the north China monsoon region. The investigation was conducted under SSP1‐2.6, SSP2‐4.5, and SSP5‐8.5 scenarios of CMIP6, utilizing the Standardized Precipitation Index and an improved run theory at seasonal and annual scales. The findings revealed that high‐emission scenarios cause a wetter climate trend, particularly in autumn and winter, related to the attenuation of the East Asian Trough from climate warming. The uneven intra‐annual precipitation patterns within the basin, induced by the Asian monsoon climate, are expected to improve in the far future, particularly under the SSP2‐4.5 scenarios. The drought frequency, intensity, and duration of future meteorological drought are expected to improve compared to historical conditions under all three scenarios. SSP2‐4.5 shows the shortest duration and lightest intensity of annual droughts. Extreme droughts are primarily driven by strong subsidence with low‐level moisture divergence. However, in the far future, the eastward shift of the western Pacific subtropical high results in reducing moisture transport from the western Pacific, leading to increasing contribution of advection term to atmospheric drying, particularly under the SSP1‐2.6. In winter, the increase in radiative forcing leads to enhanced evapotranspiration from the Eurasian continent, providing additional moisture and alleviating drought, especially in the far future under the SSP1‐2.6 and SSP2‐4.5 scenarios.
Applications of the experience sampling method (ESM) in paediatric healthcare: a systematic review
Authors: van Dalen Marije , Snijders Anne , Dietvorst Evelien , Bracké Katrien , Nijhof Sanne L. , Keijsers Loes , Hillegers Manon H. J. , Legerstee Jeroen S.
Published: December 2023

Background

With the Experience Sampling Method (ESM) participants are asked to provide self-reports of their symptoms, feelings, thoughts and behaviours in daily life. This preregistered systematic review assessed how ESM is being used to monitor emotional well-being, somatic health, fatigue and pain in children and adolescents with a chronic somatic illness.

Methods

Databases were searched from inception. Studies were selected if they included children or adolescents aged 0–25 years with a chronic somatic illness and used ESM focussing on mental health or psychosocial wellbeing, biopsychosocial factors and/or somatic health. Two reviewers extracted data of the final 47 papers, describing 48 studies.

Results

Most studies evaluated what factors influence medical or psychological symptoms and how symptoms influence each other. Another common purpose was to study the feasibility of ESM or ESM as part of an app or intervention. Study methods were heterogeneous and most studies lack adequate reporting of ESM applications and results.

Conclusions

While ESM holds great potential for providing results and feedback to patients and caregivers, little use is being made of this option. Future studies should consider what they report in their studies, conduct a priori power analyses and how ESM can be embedded in clinical practice.

Impact

While ESM has many clinical applications, it is currently mostly used for research purposes.

Current studies using ESM are heterogeneous and lack consistent, high-quality reporting.

There is great potential in ESM for providing patients and parents with personalised feedback.
Emodin exhibits anti-acne potential by inhibiting cell growth, lipogenesis, and inflammation in human SZ95 sebocytes
Authors: Liu Si , Luo Xiao-Hua , Liu Yu-Feng , Zouboulis Christos C. , Shi Ge
Published: December 2023

Emodin, a natural anthraquinone derivative, possesses anti-proliferative and anti-inflammatory properties in skin diseases. However, little information is available on the efficacy of emodin in treating acne vulgaris (acne). This study aims to investigate the protective effects and potential mechanisms of emodin as an anti-acne agent. In vitro, SZ95 sebocytes was chose to establish an acneigenic cellular model. We found that emodin effectively inhibited proliferation, induced cell cycle arrest and apoptosis of SZ95 sebocytes in a dose-dependent manner. To evaluate the lipid-lowering potential of emodin, we examined the levels of lipid contents and lipogenic transcription factors, and found that both lipid production and protein expression of PPARγ, LXR α/β, and SREBP-1 were decreased after treatment with emodin. Furthermore, our results revealed that emodin inhibited sebaceous lipogenesis induced by insulin-like growth factor 1 (IGF-1), which was accompanied by a potent inhibition of the phosphoinositide-3-kinase (PI3K)/Akt/forkhead box protein O1 (FoxO1) pathway. In detail, emodin augmented the inhibitory effect of isotretinoin and PI3K inhibitor LY294002, while attenuating the activation of IGF-1 on PI3K/Akt/FoxO1 pathway. In addition, emodin could decrease the secretion of pro-inflammatory cytokines IL-6 and IL-8, and suppress the expression of NLRP3, capase-1, IL-1β, and IL-18 in SZ95 sebocytes exposed to Cutibacterium acnes. Overall, our study provides preliminary evidence supporting the anti-growth, anti-lipogenic and anti-inflammatory properties of emodin, indicating the potential therapeutic application of emodin for acne treatment.
Sensitive detection of genetically modified maize based on a CRISPR/Cas12a system
Authors: Wang Huimin , Su Ailing , Chang Jingjing , Liu Xiangguo , Liang Chongyang , Xu Shuping
Published: December 2023

With the vigorous development of biotechnology, genetically modified organisms (GMOs) have become more and more common.
Flexible nanomechanical bit based on few-layer graphene
Authors: Zhang Bin , Xue Yixuan , Park Harold S. , Jiang Jin-Wu
Published: December 2023

Mechanical computers have gained intense research interest at size scales ranging from nano to macro as they may complement electronic computers operating in extreme environments.
Coupling polaritons in near-field radiative heat transfer between multilayer graphene/vacuum/α-MoO3/vacuum heterostructures
Authors: Zhang Jihong , Wu Xiaohu , Hu Yang , Yang Bing , Liu Haotuo , Cai Qilin
Published: December 2023

The coupling phenomenon of surface plasmon polaritons and hyperbolic phonon polaritons in multilayer graphene/vacuum/α-MoO3/vacuum structures is revealed.
Breaking the size constraint for nano cages using annular patchy particles
Authors: Varma Vikki Anand , Jaglan Simmie , Khan Mohd Yasir , Babu Sujin B.
Published: December 2023

Annular patchy particles forms closed structure irrespective of the shape of the spheroid subunit. By tuning the temperature or the pressure of the system, closed spherical shells or containers (partially closed shells) can be designed.
Exploring fullerene derivatives for optoelectronic applications: synthesis and characterization study
Authors: Jakšić Jovana , Milinković Evgenija , Cvetanović Katarina , Vujošević Zorana Tokić , Jovanov Vladislav , Mitrović Aleksandra , Maslak Veselin
Published: December 2023

Three novel dihydrofuran-fused C60 fullerene derivatives were designed and synthesized to enhance their solubility and electrical properties, compared to PCBM, rendering them as compelling candidates for use in electron transport layers in PSCs.
Chromophore appended DPA-based copper(ii) complexes with a diimine motif towards DNA binding and fragmentation studies
Authors: Mathur Shobhit , Karumban Kalai Selvan , Muley Arabinda , Tuti Nikhil , Shaji Unnikrishnan Paruthiyezhath , Roy Indrajit , Verma Anushka , Kumawat Manoj Kumar , Roy Anindya , Maji Somnath
Published: December 2023

Two mixed ligand copper(ii) complexes were synthesised and structurally characterised, showing promising results towards DNA binding and fragmentation studies.
Effects of solvatomorphism, the nature of a chelating ligand synthon and a counterion on the single crystal XRD structure and SMM properties of paramagnetic monocapped cobalt(ii) tris-pyrazoloximates
Authors: Belova Svetlana A. , Belov Alexander S. , Danshina Anastasia A. , Zubavichus Yan V. , Aleshin Dmitriy Yu. , Pavlov Alexander A. , Efimov Nikolay N. , Voloshin Yan Z.
Published: December 2023

All the title factors were found to substantially affect the molecular and crystal structure of these pseudomacrobicyclic cobalt(ii) intracomplexes as well as their SMM properties.
Rb3MgB5O10 and LiBaAl(BO3)2: covalent tetrahedra MO4-containing borates with deep-ultraviolet cutoff edges
Authors: Su Hongkang , Jiao Jiahao , Wang Shibin , An Donghai , Zhang Min
Published: December 2023

Metal-involved covalent tetrahedra can serve as structural components to connect isolated B–O groups to form a complete structural framework and eliminate dangling bonds of the terminal oxygen atoms, which is conducive to increase the band gaps.
The impact of Lewis acid variation on reactions with di-tert-butyl diazo diesters
Authors: Bedi Vaibhav , Mandal Dipendu , Hussain Zahid , Chen Shi-Ming , Wu Yile , Qu Zheng-Wang , Grimme Stefan , Stephan Douglas W.
Published: December 2023

Reactions of (tBuO2CN)2 with 9-BBN, BF3 and [Et3Si][B(C6F5)4] afford the heterocyclic products (tBuOCO(BBN)CN)21, [tBuNHNH2tBu][BF4] 2 and [tBuN(H)NtBu][B(C6F5)4] 3, respectively. The mechanism for the formation of 2 is probed computationally.
HRLCMS based metabolite profiling of antioxidant and hypoglycaemic properties of Daruharidra (Berberis aristata): an in vitro and molecular modelling approach
Authors: Bhatnagar Aditi , Saini Ravi , Kumari Sonali , Mishra Abha
Published: December 2023

The Berberidaceae family member Daruharidra has been utilized for the treatment of a variety of ailments.
3D-printing of attapulgite monoliths with superior low-temperature selective catalytic reduction activity: the influence of thermal treatment
Authors: Zhu Jie , Yu Jiangtao , Zhu Linhua , Yu Xiaoxiao , Liu Jixing , Chao Yanhong , Yin Jingzhou , Wu Peiwen , Liu Jian , Zhu Wenshuai
Published: December 2023

This study provides a facile strategy for 3D-printing of attapulgite monoliths with superior low-temperature NH3-SCR performance under thermal treatment.
Highly selective detection and differentiation of aminophenol isomers based on a bimetallic metal–organic-framework with peroxidase-like activity
Authors: Zhang Yujie , Wang Yingjiang , Li Zhaohui , Qu Lingbo , Yu Lanlan
Published: December 2023

An Fe/Mn MOF with a high peroxidase-like activity was prepared and applied for the colorimetric differentiation and determination of aminophenol isomers.
Unlocking the biosynthetic regulation role of polyketide alkaloid lydicamycins
Authors: Zhan Xuanlin , Li Xiaojie , Zeng Yunyan , Jiang Siyan , Pan Chao , Pan Shiyu , Huang Jiaquan , Zhang Heqian , Qin Zhiwei
Published: December 2023

Natural products derived from the rhizosphere offer promising prospects for the development of antibiotics and herbicides.
Electrochemical oxidative dehydrogenative annulation of 1-(2-aminophenyl)pyrroles with cleavage of ethers to synthesize pyrrolo[1,2-a]quinoxaline derivatives
Authors: Sun Fengkai , Miao Man , Li Wenxue , Lan Xiao-Bing , Yu Jian-Qiang , Zhang Jian , An Zhenyu
Published: December 2023

In this study, we present an electrochemical approach for the synthesis of pyrrolo[1,2-a]quinoxaline derivatives from 1-(2-aminophenyl)pyrroles and ethers in simple homemade undivided cells.
A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity
Authors: Moréra Solange , Vigouroux Armelle , Aumont-Nicaise Magali , Ahmar Mohammed , Meyer Thibault , El Sahili Abbas , Deicsics Grégory , González-Mula Almudena , Li Sizhe , Doré Jeanne , Sirigu Serena , Legrand Pierre , Penot Camille , André François , Faure Denis , Soulère Laurent , Queneau Yves , Vial Ludovic
Published: December 2023

Plants genetically modified by the pathogenic Agrobacterium strain C58 synthesize agrocinopines A and B, whereas those modified by the pathogenic strain Bo542 produce agrocinopines C and D. The four agrocinopines (A, B, C and D) serve as nutrients by agrobacteria and signaling molecule for the dissemination of virulence genes. They share the uncommon pyranose-2-phosphate motif, represented by the l-arabinopyranose moiety in agrocinopines A/B and the d-glucopyranose moiety in agrocinopines C/D, also found in the antibiotic agrocin 84. They are imported into agrobacterial cytoplasm via the Acc transport system, including the solute-binding protein AccA coupled to an ABC transporter. We have previously shown that unexpectedly, AccA from strain C58 (AccAC58) recognizes the pyranose-2-phosphate motif present in all four agrocinopines and agrocin 84, meaning that strain C58 is able to import agrocinopines C/D, originating from the competitor strain Bo542. Here, using agrocinopine derivatives and combining crystallography, affinity and stability measurements, modeling, molecular dynamics, in vitro and vivo assays, we show that AccABo542 and AccAC58 behave differently despite 75% sequence identity and a nearly identical ligand binding site. Indeed, strain Bo542 imports only compounds containing the d-glucopyranose-2-phosphate moiety, and with a lower affinity compared with strain C58. This difference in import efficiency makes C58 more competitive than Bo542 in culture media. We can now explain why Agrobacterium/Allorhizobium vitis strain S4 is insensitive to agrocin 84, although its genome contains a conserved Acc transport system. Overall, our work highlights AccA proteins as a case study, for which stability and dynamics drive specificity.
Harnessing machine learning for accurate treatment of overlapping opacity species in general circulation models
Authors: Schneider Aaron David , Mollière Paul , Louppe Gilles , Carone Ludmila , Jørgensen Uffe Gråe , Decin Leen , Helling Christiane
Published: December 2023

To understand high precision observations of exoplanets and brown dwarfs, we need detailed and complex general circulation models (GCMs) that incorporate hydrodynamics, chemistry, and radiation. For this study, we specifically examined the coupling between chemistry and radiation in GCMs and compared different methods for the mixing of opacities of different chemical species in the correlated-k assumption, when equilibrium chemistry cannot be assumed. We propose a fast machine learning method based on DeepSets (DS), which effectively combines individual correlated-k opacities (k-tables). We evaluated the DS method alongside other published methods such as adaptive equivalent extinction (AEE) and random overlap with rebinning and resorting (RORR). We integrated these mixing methods into our GCM (expeRT/MITgcm) and assessed their accuracy and performance for the example of the hot Jupiter HD 209458 b. Our findings indicate that the DS method is both accurate and efficient for GCM usage, whereas RORR is too slow. Additionally, we observed that the accuracy of AEE depends on its specific implementation and may introduce numerical issues in achieving radiative transfer solution convergence. We then applied the DS mixing method in a simplified chemical disequilibrium situation, where we modeled the rainout of TiO and VO, and confirmed that the rainout of TiO and VO would hinder the formation of a stratosphere. To further expedite the development of consistent disequilibrium chemistry calculations in GCMs, we provide documentation and code for coupling the DS mixing method with correlated-k radiative transfer solvers. The DS method has been extensively tested to be accurate enough for GCMs; however, other methods might be needed for accelerating atmospheric retrievals.
Risk of Severe Maternal Morbidity Associated with Maternal Comorbidity Burden and Social Vulnerability
Authors: Gulersen Moti , Alvarez Alejandro , Suarez Fernando , Kouba Insaf , Rochelson Burton , Combs Adriann , Nimaroff Michael , Blitz Matthew J.
Published: December 2023

Objective We evaluated the associations of the obstetric comorbidity index (OB-CMI) and social vulnerability index (SVI) with severe maternal morbidity (SMM).

Study Design Multicenter retrospective cohort study of all patients who delivered (gestational age > 20 weeks) within a university health system from January 1, 2019, to December 31, 2021. OB-CMI scores were assigned to patients using clinical documentation and diagnosis codes. SVI scores, released by the Centers for Disease Control and Prevention (CDC), were assigned to patients based on census tracts. The primary outcome was SMM, based on the 21 CDC indicators. Mixed-effects logistic regression was used to model the odds of SMM as a function of OB-CMI and SVI while adjusting for maternal race and ethnicity, insurance type, preferred language, and parity.

Results In total, 73,518 deliveries were analyzed. The prevalence of SMM was 4% (n = 2,923). An association between OB-CMI and SMM was observed (p < 0.001), where OB-CMI score categories of 1, 2, 3, and ≥4 were associated with higher odds of SMM compared with an OB-CMI score category of 0. In the adjusted model, there was evidence of an interaction between OB-CMI and maternal race and ethnicity (p = 0.01). After adjusting for potential confounders, including SVI, non-Hispanic Black patients had the highest odds of SMM among patients with an OB-CMI score category of 1 and ≥4 compared with non-Hispanic White patients with an OB-CMI score of 0 (adjusted odds ratio [aOR] = 2.76, 95% confidence interval [CI]: 2.08–3.66 and aOR = 10.07, 95% CI: 8.42–12.03, respectively). The association between SVI and SMM was not significant on adjusted analysis.

Conclusion OB-CMI was significantly associated with SMM, with higher score categories associated with higher odds of SMM. A significant interaction between OB-CMI and maternal race and ethnicity was identified, revealing racial disparities in the odds of SMM within each higher OB-CMI score category. SVI was not associated with SMM after adjusting for confounders.

Key Points
Toward versatile digital bioanalysis
Authors: Ando Jun , Watanabe Rikiya
Published: December 2023

Digital bioanalysis places great emphasis on the highly sensitive and rapid detection of biomolecules at the single-molecule level. Rooted in single-molecule biophysics, this innovative approach offers numerous insights into biomolecular mechanisms with an unprecedented level of sensitivity and precision. Moreover, this method has significant potential to contribute to disease diagnostics, enabling the highly sensitive detection of biomarkers or pathogens for early disease diagnosis and continuous disease monitoring. However, the notable cost of detection and specialized equipment required for fabricating microdevices pose a challenge to accessibility and ease of use. This lack of versatility hinders the widespread adoption of digital bioanalysis. Here, we aim to illuminate the essential requirements for versatile digital bioanalysis and present prospects for biomedical applications that can be facilitated by attaining such versatility.
Lobster predation on barren-forming sea urchins is more prevalent in habitats where small urchins are common: a multi-method diet analysis
Authors: Smith Jennifer E. , Keane John , Oellermann Michael , Mundy Craig , Gardner Caleb
Published: December 2023

Context In Tasmania, Australia, the government’s response to range-extending, barren-forming longspined sea urchin (Centrostephanus rodgersii) includes rebuilding of southern rock lobster (Jasus edwardsii) stocks to increase predation. But lobster preference for native species and continued barren expansion challenges the control efficacy. Aims To determine the impact of lobster predation on C. rodgersii in different habitats. Methods Multi-method dietary analysis consisting of stomach contents, faecal DNA and stable isotopes was performed on 64 lobsters from four habitats varying in barren extent and density of urchins and lobsters. Key results C. rodgersii contributed to lobster diet in all barren habitats and was found in lobsters of every size class. Stable isotope and DNA analyses showed that C. rodgersii was more common in lobster diet than were targeted native species at incipient barren sites. Surprisingly, in extensive barrens C. rodgersii is less prominent in lobster diet. Conclusions Combined with site-specific urchin population data, our findings indicated that lobster predation may be less effective at sites where most C. rodgersii individuals have reached a size refuge than at sites dominated by small urchins. Implications Lobster predation may provide a useful control for smaller C. rodgersii, but top–down predatory control may be constrained at sites dominated by urchins that exceed the size suitable for lobster predation.
Neural functional theory for inhomogeneous fluids: Fundamentals and applications
Authors: Sammüller Florian , Hermann Sophie , de las Heras Daniel , Schmidt Matthias
Published: December 2023

We present a hybrid scheme based on classical density functional theory and machine learning for determining the equilibrium structure and thermodynamics of inhomogeneous fluids. The exact functional map from the density profile to the one-body direct correlation function is represented locally by a deep neural network. We substantiate the general framework for the hard sphere fluid and use grand canonical Monte Carlo simulation data of systems in randomized external environments during training and as reference. Functional calculus is implemented on the basis of the neural network to access higher-order correlation functions via automatic differentiation and the free energy via functional line integration. Thermal Noether sum rules are validated explicitly. We demonstrate the use of the neural functional in the self-consistent calculation of density profiles. The results outperform those from state-of-the-art fundamental measure density functional theory. The low cost of solving an associated Euler–Lagrange equation allows to bridge the gap from the system size of the original training data to macroscopic predictions upon maintaining near-simulation microscopic precision. These results establish the machine learning of functionals as an effective tool in the multiscale description of soft matter.
The quantum optics of gravitational waves
Authors: Abrahão Luca , Coradeschi Francesco , Micol Frassino Antonia , Guerreiro Thiago , Rittenhouse West Jennifer , Schioppa Enrico Junior
Published: December 2023

By utilizing quantum optics techniques, we examine the characteristics of a quantum gravitational wave (GW) signature at interferometers. In particular, we study the problem by analyzing the equations of motion of a GW interacting with an idealized interferometer. Using this method, we reconstruct the classical GW signal from a representation of the quantum version of an almost classical monochromatic wave (a single-mode coherent state), then we discuss the experimental signatures of some specific, more general quantum states. We calculate the observables that could be used at future interferometers to probe possible quantum states carried by the GWs.
Jaynes–Cummings model in a weak gravitational wave background
Authors: Sorge Francesco
Published: December 2023

Working in the framework of the linearized theory, we analyze the influence of a weak gravitational wave on the dynamics of the Jaynes–Cummings model, describing the interaction between a two-level quantum system and the electromagnetic field in a cavity. We show that the gravitational wave induces a small, time-dependent modulation in the generalized Rabi frequency Ω of the system. Such a modulation has the same frequency as the incoming gravitational wave. We also find that the atomic inversion acquires a similar time-dependent modulation. After a

π

/

2
−

pulse of the electromagnetic driving field in the cavity, an atomic population N
0, previously prepared in its excited state, ends showing a small unbalance

Δ
N
=

N
e

−

N
g

between the excited and the de-excited atoms. The unbalance amplitude is proportional to HN
0, with H being the gravitational strain. We briefly comment about possible astrophysical implications.
A Bayesian approach for CT reconstruction with defect detection for subsea pipelines
Authors: Christensen Silja L , Riis Nicolai A B , Pereyra Marcelo , Jørgensen Jakob S
Published: December 2023

Subsea pipelines can be inspected via 2D cross-sectional x-ray computed tomography (CT). Traditional reconstruction methods produce an image of the pipe’s interior that can be post-processed for detection of possible defects. In this paper we propose a novel Bayesian CT reconstruction method with built-in defect detection. We decompose the reconstruction into a sum of two images; one containing the overall pipe structure, and one containing defects, and infer the images simultaneously in a Gibbs scheme. Our method requires that prior information about the two images is very distinct, i.e. the first image should contain the large-scale and layered pipe structure, and the second image should contain small, coherent defects. We demonstrate our methodology with numerical experiments using synthetic and real CT data from scans of subsea pipes in cases with full and limited data. Experiments demonstrate the effectiveness of the proposed method in various data settings, with reconstruction quality comparable to existing techniques, while also providing defect detection with uncertainty quantification.
Single electron transistor based on twisted bilayer graphene quantum dots
Authors: Huang Zhongkai , He Yuping , Cao Jing , Li Qianqian , Li Chen , Li Guichuan , Bo Maolin , Yao Chuang
Published: December 2023

Electrical properties of twisted bilayer graphene exhibit angle-dependent characteristics, sparking a thriving development in the field of twistronics. However, the application of quantum dots (QDs) made of twisted bilayer graphene in single-electron transistors (SETs) remains largely unexplored so far. We here investigate the electronic properties of twisted bilayer graphene QDs (TBG QDs) within a SET configuration. We compare the performance of conventional and double-gated SET structures and find that the double-gated configuration provides enhanced control over the electronic properties of TBG QDs. We analyze the influence of rotation angles on the charge stability diagrams and observe that the linear and quadratic gate-island coupling strengths generally decrease as the rotation angle decreases. Furthermore, we quantify the effect of QD size on the charge stability diagrams and find that the size of the diamond-shaped regions decreases as the TBG QD size increases. Results presented herein may help pave the way for realization and application of TBG QDs based SET.
Interplay of spin and orbital ordering in a frustrated spinel chromite
Authors: Rathi Ashutosh , Babu P D , Sahlot Pooja , Awasthi A M , Chaudhary Shivani , Patnaik S , Pardeep  , Rout P K , Chittari Bheema Lingam , Basheed G A
Published: December 2023

Geometric Spin Frustration, when sufficiently strong, provides a platform for novel spin textures with emergent phenomena, such as ferroelectricity. This article investigates NiCr2O4, a spinel chromite co-hosting the frustration of Cr3+ spins with orbital frustration of Ni2+ ions, with the latter expected to eradicate the spin frustration by lowering lattice symmetry. Detailed experiments unveil an intriguing reentrant-spin-glass-like behavior alongside the previously known canted ferrimagnetism. Our analysis focuses on the ordering of Cr3+ spins at two distinct sublattices, with one contributing to canted ferrimagnetism, while the other exhibits a local

↑↑↓↓

(spin-frustrated) texture, potentially inducing spin-glass behavior. Density functional theory calculations corroborate the experimental findings, establishing

↑↑↓↓

as the ground state of NiCr2O4. This study presents new prospects for ferroelectricity driven by exchange striction in orbitally ordered spinel chromites.