bluuebunny/crossref_metadata_2025 huggingface dataset:
Improvement of the photoelectric dye sensitized solar cell performance using Fe/S–TiO2 nanoparticles as photoanode electrode
Authors: Hsu Chou-Yi , Al-Salman H. N. K. , Mahmoud Zaid H. , Ahmed Rawaa Mahmoud , Dawood Amir F.
Published: February 2024

A sulfur nanoparticles-incorporated iron-doped titanium oxide (Fe/TiO2) with different ratio was successfully synthesized by photolysis method and utilized as effective photoanode in dye sensitized solar cell (DSSC) application with N719 dye. The photolysis method was contained the irradiation of the Fe, S and Ti mixture solution with 15 W source irradiation, and then calcined the formed precipitate. The DSSCs fabricated with Fe/S–TiO2 photoanode appeared an improved solar-to-electrical energy conversion efficiency of 6.46, which more than pure TiO2 (3.43) below full sunlight illumination (1.5 G). The impact of Fe content on the total efficiency was also inspected and the Fe content with 6% S–TiO2 was found 5 wt%. Due to the improved the efficiency of solar cell conversion of Fe/S–TiO2 nanocomposite, it should be deemed as a potential photoanode for DSSCs with high performance.
Pseudocryptic diversity and species boundaries in the sea cucumber Stichopus cf. horrens (Echinodermata: Stichopodidae) revealed by mitochondrial and microsatellite markers
Authors: Lizano Apollo Marco D. , Kim Kenneth M. , Juinio-Meñez Marie Antonette , Ravago-Gotanco Rachel
Published: February 2024

Morphologically cryptic and pseudo-cryptic species pose a challenge to taxonomic identification and assessments of species diversity and distributions. Such is the case for the sea cucumberStichopus horrens, commonly confused withStichopus monotuberculatus. Here, we used mitochondrial cytochrome oxidase subunit I (COI) and microsatellite markers to examine genetic diversity inStichopuscf.horrensthroughout the Philippine archipelago, to aid species identification and clarify species boundaries. Phylogenetic analysis reveals two recently diverged COI lineages (Clade A and Clade B;c. 1.35–2.54 Mya) corresponding to sequence records for specimens identified asS. monotuberculatusandS. horrens,respectively. Microsatellite markers reveal two significantly differentiated genotype clusters broadly concordant with COI lineages (Cluster 1, Cluster 2). A small proportion of individuals were identified as later-generation hybrids indicating limited contemporary gene flow between genotype clusters, thus confirming species boundaries. Morphological differences in papillae distribution and form are observed for the two species, however tack-like spicules from the dorsal papillae are not a reliable diagnostic character. An additional putative cryptic species was detected within Clade B-Cluster 2 specimens warranting further examination. We propose that these lineages revealed by COI and genotype data be referred to asStichopuscf.horrensspecies complex.
Integrating imaging and genomic data for the discovery of distinct glioblastoma subtypes: a joint learning approach
Authors: Guo Jun , Fathi Kazerooni Anahita , Toorens Erik , Akbari Hamed , Yu Fanyang , Sako Chiharu , Mamourian Elizabeth , Shinohara Russell T. , Koumenis Constantinos , Bagley Stephen J. , Morrissette Jennifer J. D. , Binder Zev A. , Brem Steven , Mohan Suyash , Lustig Robert A. , O’Rourke Donald M. , Ganguly Tapan , Bakas Spyridon , Nasrallah MacLean P. , Davatzikos Christos
Published: February 2024

Glioblastoma is a highly heterogeneous disease, with variations observed at both phenotypical and molecular levels. Personalized therapies would be facilitated by non-invasive in vivo approaches for characterizing this heterogeneity. In this study, we developed unsupervised joint machine learning between radiomic and genomic data, thereby identifying distinct glioblastoma subtypes. A retrospective cohort of 571 IDH-wildtype glioblastoma patients were included in the study, and pre-operative multi-parametric MRI scans and targeted next-generation sequencing (NGS) data were collected. L21-norm minimization was used to select a subset of 12 radiomic features from the MRI scans, and 13 key driver genes from the five main signal pathways most affected in glioblastoma were selected from the genomic data. Subtypes were identified using a joint learning approach called Anchor-based Partial Multi-modal Clustering on both radiomic and genomic modalities. Kaplan–Meier analysis identified three distinct glioblastoma subtypes: high-risk, medium-risk, and low-risk, based on overall survival outcome (p < 0.05, log-rank test; Hazard Ratio = 1.64, 95% CI 1.17–2.31, Cox proportional hazard model on high-risk and low-risk subtypes). The three subtypes displayed different phenotypical and molecular characteristics in terms of imaging histogram, co-occurrence of genes, and correlation between the two modalities. Our findings demonstrate the synergistic value of integrated radiomic signatures and molecular characteristics for glioblastoma subtyping. Joint learning on both modalities can aid in better understanding the molecular basis of phenotypical signatures of glioblastoma, and provide insights into the biological underpinnings of tumor formation and progression.
Production of hydrogen using plastic waste via Aspen Hysys simulation
Authors: Yi Chua Qi , Bojeng Muhammad Na’im Bin Haji Bujang Haji , Kamis Siti Khadijah Binti Haji , Mubarak Nabisab Mujawar , Karri Rama Rao , Azri Hazwan
Published: February 2024

Plastic waste is being manufactured for the production of hydrogen. The amount of plastic waste collected annually is 189,953 tonnes from adjacent nations like Indonesia and Malaysia. Polyethylene (PE), Polypropylene (PP), Polyethylene Terephthalate (PET), Polyvinyl chloride (PVC), and Polystyrene (PS) are the five most prevalent forms of plastic found in most waste. Pyrolysis, water gas shift and steam reforming reaction, and pressure swing adsorption are the three main phases utilized and studied. In this research, authors examines the energy consumption on every stage. The plastic waste can be utilized to manufacture many hydrocarbons using the pyrolysis reaction. For this process, fast pyrolysis is being used at a temperature of 500 °C. A neutralization process is also needed due to the presence of Hydrochloric acid from the pyrolysis reaction, with the addition of sodium hydroxide. This is being carried to prevent any damage to the reactor during the process. Secondly, the steam reforming process continues after the water gas shift reaction has produced steam and carbon monoxide, followed by carbon dioxide and hydrogen formation. Lastly, pressure swing adsorption is designed to extract H2S and CO2 from the water gas shift and steam reforming reaction for greater purity of hydrogen. From the simulation study, it is observed that using various types of plastic waste procured (total input of 20,000 kg per hour of plastics) from, Brunei Darussalam, Malaysia and Indonesia, can produce about 340,000 tons of Hydrogen per year. Additionally, the annual profit of the Hydrogen production is estimated to be between $ 271,158,100 and $ 358,480,200. As per the economic analysis, it can be said that its a good to start hydrogen production plant in these regions.
Investigating the impact of electron beam irradiation on electrical, magnetic, and optical properties of XLPE/Co3O4 nanocomposites
Authors: Ghobashy Mohamed Mohamady , Sharshir A. I. , Zaghlool R. A. , Mohamed F.
Published: February 2024

Nowadays, many researchers aim to fill polymer materials with inorganic nanoparticles to enhance the polymer properties and gain the merits of the polymeric host matrix. Sol–gel synthesized Co3O4 nanoparticles are subjected to different doses of electron beam (10, 20, and 30 kGy) to study their physiochemical properties and choose the optimized nanoparticles to fill our polymeric matrix. Crosslinked polyethylene (XLPE) has been filled with 5 wt % of un-irradiated cobalt oxide nanoparticles using the melt extruder method. The structural, optical, magnetic, and electrical properties of the XLPE/Co3O4 nanocomposite before and after exposure to different doses of electron beam radiation have been characterized. The crystallite size of face-centered cubic spinel Co3O4 nanoparticles has been confirmed by XRD whereas and their unique truncated octahedral shape obviously appears in SEM micrographs. The crystallite size of Co3O4 nanoparticles has decreased from 47.5 to 31.5 nm upon irradiation at a dose of 30 kGy, and significantly decreased to 18.5 nm upon filling inside XLPE matrix. Related to the oxidation effect of the electron beam, the Co2+/Co3+ ratio on the surface of Co3O4 nanoparticles has decreased upon irradiation as verified by XPS technique. This consequently caused the partial elimination of oxygen vacancies, mainly responsible for the weak ferromagnetic behavior of Co3O4 in its nanoscale. This appears as decreased saturation magnetization as depicted by VSM. The XLPE/Co3O4 nanocomposite has also shown weak ferromagnetic behavior but the coercive field (Hc) has increased from 112.57 to 175.72 G upon filling inside XLPE matrix and decreased to 135.18 G after irradiating the nanocomposite at a dose of 30 kGy. The ionic conductivity of XLPE has increased from 0.133 × 10–7 to 2.198 × 10–3 S/cm upon filling with Co3O4 nanoparticles while a slight increase is observed upon irradiation.
Depression, anxiety, and personal recovery outcomes after group vs individual transdiagnostic therapy: a brief report
Authors: Paul Sayani , Zhu Lynn , Mizevich Jane , Slater Lindsay
Published: February 2024

Unified Protocol for Transdiagnostic Treatment of Emotional Disorders (UP) is an evidence-informed treatment utilizing Cognitive Behavioural Therapy (CBT) treatment principles. UP has demonstrated promising treatment effects comparable to single disorder protocol across several mental disorders. Its impact on personal recovery in anxiety and depression has not been examined. This study compares clinical and personal recovery outcomes of UP treatment for depression and anxiety disorders when delivered in a group vs. individual format. Retrospective chart review of outcomes was conducted for outpatients receiving 12-week individual (n = 65) and group (n = 62) UP treatment in a specialized psychiatric hospital. Descriptive and repeated measures ANOVA analyses were conducted on outcomes on Overall Depression Severity and Impairment Scale, Overall Anxiety Severity and Impairment Scale, Recovery Assessment Scale administered pre and post treatment. On average, participants in both group and individual UP treatment showed improvements in anxiety, depression, and recovery scores. Greater proportion of group participants showed improvements on two interpersonal-focused domains of personal recovery. Results indicate group UP treatment is comparably effective compared to individual UP in improving clinical and recovery outcomes, and treatment modality affects the degree of personal recovery. Overall findings offer important clinical promise of UP treatment as a transdiagnostic treatment option for individuals with anxiety and depression.
Cytotoxic naphtho- and benzofurans from an endophytic fungus Epicoccum nigrum Ann-B-2 associated with Annona squamosa fruits
Authors: Elnaggar Mohamed S. , Fayez Shaimaa , Anwar Alaa , Ebada Sherif S.
Published: February 2024

Chemical exploration of the total extract derived from Epicoccum nigrum Ann-B-2, an endophyte associated with Annona squamosa fruits, afforded two new metabolites, epicoccofuran A (1) and flavimycin C (2), along with four known compounds namely, epicocconigrone A (3), epicoccolide B (4), epicoccone (5) and 4,5,6-trihydroxy-7-methyl-1,3-dihydroisobenzofuran (6). Structures of the isolated compounds were elucidated using extensive 1D and 2D NMR along with HR-ESI–MS. Flavimycin C (2) was isolated as an epimeric mixture of its two diastereomers 2a and 2b. The new compounds 1 and 2 displayed moderate activity against B. subtilis, whereas compounds (2, 3, 5, and 6) showed significant antiproliferative effects against a panel of seven different cancer cell lines with IC50 values ranging from 1.3 to 12 µM.
Physical properties of odorants affect behavior of trained detection dogs during close-quarters searches
Authors: Mejia Daniel , Burnett Lydia , Hebdon Nicholas , Stevens Peter , Shiber Alexis , Cranston Clay , DeGreeff Lauryn , Waldrop Lindsay D.
Published: February 2024

Trained detection dogs have a unique ability to find the sources of target odors in complex fluid environments. How dogs derive information about the source of an odor from an odor plume comprised of odorants with different physical properties, such as diffusivity, is currently unknown. Two volatile chemicals associated with explosive detection, ammonia (NH3, derived from ammonium nitrate-based explosives) and 2-ethyl-1-hexanol (2E1H, associated with composition C4 plastic explosives) were used to ascertain the effects of the physical properties of odorants on the search behavior and motion of trained dogs. NH3has a diffusivity 3.6 times that of 2E1H. Fourteen civilian detection dogs were recruited to train on each target odorant using controlled odor mimic permeation systems as training aids over 6 weeks and then tested in a controlled-environment search trial where behavior, motion, and search success were analyzed. Our results indicate the target-odorant influences search motion and time spent in the stages of searching, with dogs spending more time in larger areas while localizing NH3. This aligns with the greater diffusivity of NH3driving diffusion-dominated odor transport when dogs are close to the odor source in contrast to the advection-driven transport of 2E1H at the same distances.
3-year randomized clinical trial to evaluate the performance of posterior composite restorations lined with ion-releasing materials
Authors: Ahmed Basma , Wafaie Ramy Ahmed , Hamama Hamdi H. , Mahmoud Salah Hasab
Published: February 2024

To evaluate the impact of using ion-releasing liners on the 3-year clinical performance of posterior resin composite restorations after selective caries excavation with polymer burs. 20 patients were enrolled in this trial. Each patient had two deep carious lesions, one on each side of the mouth. After selective caries removal using polymer bur (PolyBur P1, Komet, Brasseler GmbH Co. KG, Lemgo, Germany), cavities were lined with bioactive ionic resin composite (Activa Bioactive Base/Liner, Pulpdent, Watertown, MA, USA) or resin-modified glass ionomer liner (Riva Light Cure, SDI, Bayswater, Victoria, Australia). All cavities were then restored with nanofilled resin composite (Filtek Z350XT, 3M Oral Care, St. Paul, MN, USA). All the tested materials were placed according to the manufacturers’ instructions. Clinical evaluation was accomplished using World Dental Federation (FDI) criteria at baseline and after 6 months, 1, 2, and 3 years. Data were analyzed using Mann–whitney U and Friedman tests (p < 0.05). The success rates were 100% for all resin composite restorations either lined with ion-releasing resin composite or resin-modified glass ionomer liner. Mann–whitney U test revealed that there were no statistically significant differences between both ion-releasing lining material groups for all criteria during the follow-up periods (p > 0.05). Resin composite restorations showed acceptable clinical performance over 3 years either lined with bioactive ionic or resin-modified glass ionomer liners after selective caries excavation preserving pulp vitality. After the 3-year follow-up period, Activa Bioactive and Riva Light Cure liners were clinically effective and they exhibited with the overlying composite restorations successful clinical performance.

Trial registration number: NCT05470959. Date of registration: 22/7/2022. Retrospectively registered.
Self-reported and tracked nighttime smartphone use and their association with overweight and cardiometabolic risk markers
Authors: Andersen Thea Otte , Sejling Christoffer , Jensen Andreas Kryger , Dissing Agnete Skovlund , Severinsen Elin Rosenbek , Drews Henning Johannes , Sørensen Thorkild I. A. , Varga Tibor V. , Rod Naja Hulvej
Published: February 2024

Nighttime smartphone use is associated with sleep problems, which in turn have a bidirectional association with overweight. We aim to investigate whether nighttime smartphone use and sleep are related to overweight and metabolic dysfunction in adult populations. We used data from three population samples (aged 16–89) from theSmartSleep Study,which included survey data (N = 29,838), high-resolution tracking data (N = 3446), follow-up data (N = 1768), and cardiometabolic risk markers (N = 242). Frequent self-reported nighttime smartphone use was associated with 51% higher odds (95% CI: 1.32; 1.70) of overweight compared with no use. Tracked nighttime smartphone use was also associated with overweight. Similar results were found for obesity as an outcome. No consistent associations were found between nighttime smartphone use and cardiometabolic risk markers in a small subsample of healthy young women. Poor sleep quality (vs. good sleep quality) was associated with overweight (OR = 1.19, 85% CI: 1.10; 1.28). Overall, frequent nighttime smartphone use was consistently associated with overweight and a higher BMI across diverse population samples. The bidirectional interplay between nighttime smartphone use, sleep, and overweight may create a vicious circle of metabolic dysfunction over time. Therefore, nighttime smartphone use may be a potential target point for public health interventions to reduce overweight at the population level.
Urban park qualities driving visitors mental well-being and wildlife conservation in a Neotropical megacity
Authors: Felappi Jéssica Francine , Sommer Jan Henning , Falkenberg Timo , Terlau Wiltrud , Kötter Theo
Published: February 2024

Green infrastructure has been widely recognized for the benefits to human health and biodiversity conservation. However, knowledge of the qualities and requirements of such spaces and structures for the effective delivery of the range of ecosystem services expected is still limited, as well as the identification of trade-offs between services. In this study, we apply the One Health approach in the context of green spaces to investigate how urban park characteristics affect human mental health and wildlife support outcomes and identify synergies and trade-offs between these dimensions. Here we show that perceived restorativeness of park users varies significantly across sites and is mainly affected by safety and naturalness perceptions. In turn, these perceptions are driven by objective indicators of quality, such as maintenance of facilities and vegetation structure, and subjective estimations of biodiversity levels. The presence of water bodies benefited both mental health and wildlife. However, high tree canopy coverage provided greater restoration potential whereas a certain level of habitat heterogeneity was important to support a wider range of bird species requirements. To reconcile human and wildlife needs in green spaces, cities should strategically implement a heterogeneous green infrastructure network that considers trade-offs and maximizes synergies between these dimensions.
Development and validation of a practical solution for detecting motion artefacts in the EOS X-ray system
Authors: Vallesi Vanessa , Shetty Ganesh , Moll Michael , Zweers Peter , Berger Markus , Christiaanse Ernst , Pishgahi Masoomeh , Pötzel Tobias , Fiechter Michael , Zito Giuseppe A. , Verma Rajeev K.
Published: February 2024

The EOS™2D/3D system is a low-dose, 3D imaging system that utilizes two perpendicular X-ray beams to create simultaneous frontal and lateral images of the body. This is a useful modality to assess spinal pathologies. However, due to the slow imaging acquisition time up to 25 s, motion artifacts (MA) frequently occur. These artifacts may not be distinguishable from pathological findings, such as scoliosis, and may impair the diagnostic process. The aim of this study was to design a method to detect MA in EOS X-ray. We retrospectively analyzed EOS imaging from 40 patients wearing a radiopaque reference device during imaging. We drew a straight vertical line along the reference device. We measured deviations from it to quantify MA, presenting these findings through descriptive statistics. For a subset of patients with high MA, acquisitions were repeated after giving specific instructions to stand still. For these patients, we compared MA between the two acquisitions. In our study, a substantial proportion of patients exhibited MA ≥ 1 mm, with 80% in frontal projections and 87.9% in lateral projections. In the subjects who received a second acquisition, MA was significantly lower in the second images. Our method allows for a precise detection of MA on EOS images through a simple, yet reliable solution. Our method may improve the reliability of spine measurements, and reduce the risk of wrong diagnosis due to low imaging quality.
LDCT screening results among eligible and ineligible screening candidates in preventive health check-ups population: a real world study in West China
Authors: Bao Ting , Liu Bingqing , Li Ruicen , Li Zhenzhen , Ji Guiyi , Wang Youjuan , Yang Hanwei , Li Weimin , Huang Wenxia , Huang Yan , Tang Huairong
Published: February 2024

To compare the LDCT screening results between eligible and ineligible screening candidates in preventive health check-ups population. Using a real-world LDCT screening results among people who took yearly health check-up in health management center of West China Hospital between 2006 and 2017. Objects were classified according to the China National Lung Cancer Screening Guideline with Low-dose Computed Tomography (2018 version) eligibility criteria. Descriptive analysis were performed between eligible and ineligible screening candidates. The proportion of ineligible screening candidates was 64.13% (10,259), and among them there were 4005 (39.04%) subjects with positive screenings, 80 cases had a surgical lung biopsy. Pathology results from lung biopsy revealed 154 cancers (true-positive) and 26 benign results (false-positive), the surgical false-positive biopsy rate was 4.17%, and ineligible group (7.69%) was higher than eligible group (2.47%), P < 0.05. Further, in ineligible screening candidates, the proportion of current smokers was higher among males compared to females (53.85% vs. 4.88%, P < 0.05). Of the 69 lung cancer patients detected in ineligible screening candidates, lung adenocarcinoma accounts for a high proportion of lung cancers both in male (75.00%) and female (85.00%). The proportion of ineligible screening candidates and the surgical false-positive biopsy rate in ineligible candidates were both high in health check-ups population.
Low migratory connectivity and similar migratory strategies in a shorebird with contrasting wintering population trends in Europe and West Africa
Authors: Catry Teresa , Correia Edna , Gutiérrez Jorge S. , Bocher Pierrick , Robin Frédéric , Rousseau Pierre , Granadeiro José P.
Published: February 2024

Migratory shorebird populations are declining worldwide, showing an apparent inability to respond to the interplaying challenges emerging along their flyways. Within the East Atlantic Flyway, non-breeding populations show moderate to strong declines in Sub-Saharan Africa, contrasting with stable or increasing trends in Europe. Local factors are insufficient to explain the opposite tendencies and, therefore, investigating migratory strategies and connectivity of these populations may help identifying the drivers of their demography. We followed the migratory journeys of 20 grey plovers (Pluvialis squatarola) from their wintering grounds in Guinea-Bissau (West Africa), Portugal and France (Europe) using tracking devices. Grey plovers wintering in Africa and Europe were found to share breeding grounds at European Russia and Western Siberia, revealing low migratory connectivity in the Eastern Atlantic population. All individuals followed a “skipping” migratory strategy, flying mostly mid-distance bouts, and using an unexpected large network of stopover sites to re-fuel usually for short periods. We identified 66 different stopover sites along the West African, European and Russian/Siberian coasts. All birds stopped at the Wadden Sea in both migratory periods, highlighting the importance of this region and the risk for a potential bottleneck. Low migratory connectivity and similar migratory strategies shared by grey plovers wintering in Europe and West Africa do not support their contrasting population trends.
Development of spray-dried powder hand sanitiser with prolonged effectivity
Authors: Večerková Lucie , Mašková Lucie , Knejzlík Zdeněk , Kašpar Ondřej , Tokárová Viola
Published: February 2024

Since the outbreak of the COVID-19 pandemic, the use of hand sanitisers has become an inseparable part of our personal hygiene. However, the short-term effect and the need for frequent application are shortcomings that impair the overall protection. Another aspect is that repeated use of some products (typically alcohol-based) may cause skin irritation or eventually more severe health problems. This work proposes spray-drying as a suitable method for the preparation of swellable chitosan carriers, allowing for encapsulation and sustained release of antibacterial chlorhexidine digluconate as a model active substance. After application to hands, micron-sized particles preferentially accommodate space between epidermal ridges, protected against attrition. Thanks to their small size (d < 10 µm), particles are comfortable to carry since they are not recognisable by somatosensory receptors. The performance of formulations with various amounts of chlorhexidine and cross-linker was tested and compared with selected commercial disinfectants available on the Czech market (ethanol gel and alcoholic solution with chlorhexidine) against E.coli and S.epidermidis. The real-life performance was investigated with twelve volunteers performing various activities for up to 2 h. Finally, a replica of the human index finger with accurately captured micro-topology was proposed and compared with volunteers’ fingers concerning the total amount of adhered and detached particles.
A new approach for fast field calculation in electrostatic electron lens design and optimization
Authors: Hesam Mahmoudi Nezhad Neda , Ghaffarian Niasar Mohamad , Hagen Cornelis W. , Kruit Pieter
Published: February 2024

In electron optics, calculation of the electric field plays a major role in all computations and simulations. Accurate field calculation methods such as the finite element method (FEM), boundary element method and finite difference method, have been used for years. However, such methods are computationally very expensive and make the computer simulation challenging or even infeasible when trying to apply automated design of electrostatic lens systems with many free parameters. Hence, for years, electron optics scientists have been searching for a fast and accurate method of field calculation to tackle the aforementioned problem in the design and optimization of electrostatic electron lens systems. This paper presents a novel method for fast electric field calculation in electrostatic electron lens systems with reasonably high accuracy to enable the electron-optical designers to design and optimize an electrostatic lens system with many free parameters in a reasonably short time. The essence of the method is to express the off-axis potential in an axially symmetrical coordinate system in terms of derivatives of the axial potential up to the fourth order, and equate this to the potential of the electrode at that axial position. Doing this for a limited number of axial positions, we get a set of equations that can be solved to obtain the axial potential, necessary for calculating the lens properties. We name this method the fourth-order electrode method because we take the axial derivatives up to the fourth order. To solve the equations, a quintic spline approximation of the axial potential is calculated by solving three sets of linear equations simultaneously. The sets of equations are extracted from the Laplace equation and the fundamental equations that describe a quintic spline. The accuracy and speed of this method is compared with other field calculation methods, such as the FEM and second order electrode method (SOEM). The new field calculation method is implemented in design/optimization of electrostatic lens systems by using a genetic algorithm based optimization program for electrostatic lens systems developed by the authors. The effectiveness of this new field calculation method in optimizing optical parameters of electrostatic lens systems is compared with FEM and SOEM and the results are presented. It should be noted that the formulation is derived for general axis symmetrical electrostatic electron lens systems, however the examples shown in this paper are with cylindrical electrodes due to the simplicity of the implementation in the software.
Analysis of flavonoid metabolism of compounds in succulent fruits and leaves of three different colors of Rosaceae
Authors: Yang Chen , Sun Nan , Qin Xin , Liu Yangbo , Sui Mengyi , Zhang Yawen , Hu Yanli , Mao Yunfei , Shen Xiang
Published: February 2024

Red flesh apple (Malus pumila var. medzwetzkyana Dieck), purple leaf plum (Prunus cerasifera Ehrhar f), and purple leaf peach (Prunus persica ‘Atropurpurea’) are significant ornamental plants within the Rosaceae family. The coloration of their fruits and leaves is crucial in their appearance and nutritional quality. However, qualitative and quantitative studies on flavonoids in the succulent fruits and leaves of multicolored Rosaceae plants are lacking. To unveil the diversity and variety-specificity of flavonoids in these three varieties, we conducted a comparative analysis of flavonoid metabolic components using ultra-high-performance liquid phase mass spectrometry (UPLC-MS/MS). The results revealed the detection of 311 metabolites, including 47 flavonoids, 105 flavonols, 16 chalcones, 37 dihydroflavonoids, 8 dihydroflavonols, 30 anthocyanins, 14 flavonoid carbon glycosides, 23 flavanols, 8 isoflavones, 11 tannins, and 12 proanthocyanidins. Notably, although the purple plum and peach leaves exhibited distinct anthocyanin compounds, paeoniflorin and corythrin glycosides were common but displayed varying glycosylation levels. While the green purple leaf peach fruit (PEF) and red flesh apple leaf (AL) possessed the lowest anthocyanin content, they exhibited the highest total flavonoid content. Conversely, the red flesh apple fruit (AF) displayed the highest anthocyanin content and a diverse range of anthocyanin glycosylation modifications, indicating that anthocyanins predominantly influenced the fruit's color. Purple PLF, PLL, and PEL showcased varying concentrations of anthocyanins, suggesting that their colors result from the co-color interaction between specific types of anthocyanins and secondary metabolites, such as flavonols, flavonoids, and dihydroflavonoids. This study provides novel insights into the variations in tissue metabolites among Rosaceae plants with distinct fruit and leaf colors.
Predicting nodal influence via local iterative metrics
Authors: Zhang Shilun , Hanjalic Alan , Wang Huijuan
Published: February 2024

Nodal spreading influence is the capability of a node to activate the rest of the network when it is the seed of spreading. Combining nodal properties (centrality metrics) derived from local and global topological information respectively has been shown to better predict nodal influence than using a single metric. In this work, we investigate to what extent local and global topological information around a node contributes to the prediction of nodal influence and whether relatively local information is sufficient for the prediction. We show that by leveraging the iterative process used to derive a classical nodal centrality such as eigenvector centrality, we can define an iterative metric set that progressively incorporates more global information around the node. We propose to predict nodal influence using an iterative metric set that consists of an iterative metric from order 1 to K produced in an iterative process, encoding gradually more global information as K increases. Three iterative metrics are considered, which converge to three classical node centrality metrics, respectively. In various real-world networks and synthetic networks with community structures, we find that the prediction quality of each iterative based model converges to its optimal when the metric of relatively low orders ($$K\sim 4$$

K
∼
4

) are included and increases only marginally when further increasing K. This fast convergence of prediction quality with K is further explained by analyzing the correlation between the iterative metric and nodal influence, the convergence rate of each iterative process and network properties. The prediction quality of the best performing iterative metric set with $$K=4$$

K
=
4

is comparable with the benchmark method that combines seven centrality metrics: their prediction quality ratio is within the range $$[91\%,106\%]$$

[
91
%
,
106
%
]

across all three quality measures and networks. In two spatially embedded networks with an extremely large diameter, however, iterative metric of higher orders, thus a large K, is needed to achieve comparable prediction quality with the benchmark.
Comparison of different suture techniques for laparoscopic vaginal cuff closure
Authors: Förster Christiane E. , Calabretti Iliana , Gubser Laura , Schötzau Andreas , Fellmann-Fischer Bernhard , Heinzelmann-Schwarz Viola , Zwimpfer Tibor A.
Published: February 2024

Laparoscopic hysterectomy is a commonly performed procedure. However, one high-risk complication is vaginal cuff dehiscence. Currently, there is no standardization regarding thread material or suturing technique for vaginal cuff closure. Therefore, this study aimed to compare extracorporeal and intracorporeal suturing techniques for vaginal cuff closure using a pelvic trainer model. Eighteen experts in laparoscopic surgery performed vaginal cuff closures with interrupted sutures using intracorporeal knotting, extracorporeal knotting and continuous, unidirectional barbed sutures. While using an artificial tissue suturing pad in a pelvic trainer, experts performed vaginal cuff closure using each technique according to block randomization. Task completion time, tension resistance, and the number of errors were recorded. After completing the exercises, participants answered a questionnaire concerning the suturing techniques and their performance. Experts completed suturing more quickly (p < 0.001, p < 0.001, respectively) and with improved tension resistance (p < 0.001, p < 0.001) when using barbed suturing compared to intracorporeal and extracorporeal knotting. Furthermore, the intracorporeal knotting technique was performed faster (p = 0.04) and achieved greater tension resistance (p = 0.023) compared to extracorporeal knotting. The number of laparoscopic surgeries performed per year was positively correlated with vaginal cuff closure duration (p = 0.007). Barbed suturing was a time-saving technique with improved tension resistance for vaginal cuff closure.
Paraspinal muscle oxygenation and mechanical efficiency are reduced in individuals with chronic low back pain
Authors: Anthierens Agathe , Thevenon André , Olivier Nicolas , Mucci Patrick
Published: February 2024

This study aimed to compare the systemic and local metabolic responses during a 5-min trunk extension exercise in individuals with chronic low back pain (CLBP) and in healthy individuals. Thirteen active participants with CLBP paired with 13 healthy participants performed a standardised 5-min trunk extension exercise on an isokinetic dynamometer set in continuous passive motion mode. During exercise, we used near-infrared spectroscopy to measure tissue oxygenation (TOI) and total haemoglobin-myoglobin (THb). We used a gas exchange analyser to measure breath-by-breath oxygen consumption (V̇O2) and carbon dioxide produced (V̇CO2). We also calculated mechanical efficiency. We assessed the intensity of low back pain sensation before and after exercise by using a visual analogue scale. In participants with CLBP, low back pain increased following exercise (+ 1.5 units; p < 0.001) and THb decreased during exercise (− 4.0 units; p = 0.043). Paraspinal muscle oxygenation (65.0 and 71.0%, respectively; p = 0.009) and mechanical efficiency (4.7 and 5.3%, respectively; p = 0.034) were both lower in participants with CLBP compared with healthy participants. The increase in pain sensation was related to the decrease in tissue oxygenation (R2 = − 0.420; p = 0.036). Decreases in total haemoglobin-myoglobin and mechanical efficiency could involve fatigability in exercise-soliciting paraspinal muscles and, therefore, exacerbate inabilities in daily life. Given the positive correlation between tissue oxygenation and exercise-induced pain exacerbation, muscle oxygenation may be related to persisting and crippling low back pain.
Advanced removal of phosphorus from urban sewage using chemical precipitation by Fe-Al composite coagulants
Authors: Xu Hongbin , Wei Songyu , Li Guoqiang , Guo Baolei
Published: February 2024

Phosphorus (P) removal is a significant issue in wastewater treatment. This study applies Fe-Al composite coagulant to the advanced treatment of different P forms in biological effluent. For 90% total P removal, the dosage of FeCl3-AlCl3 composite coagulant reduces by 27.19% and 43.28% than FeCl3 and AlCl3 only, respectively. Changes in effluent P forms could explain the phenomenon of composite coagulant dosage reduction. The suspended P in the effluent of composite coagulant is easier removed by precipitation than single coagulant. In this study, the hydrolysis speciations of Fe3+, Fe2+, and Al3+ at a pH range are calculated by Visual MINTEQ. Changes in the morphology of metal hydroxides correlate with P removal at pH 4–9. Besides, analyses of scanning electron microscope (SEM), Fourier transformed infrared (FTIR), and X-ray photoelectron spectroscopy (XPS) are performed on the coagulation precipitations. Fe2+ reacts directly with P to form flocs of Fe3(PO4)2, and Al2(SO4)3 assists in the sedimentation of the small-volume flocs. Al13 is a significant hydrolysis product of Al3+, and Fe and P would substitute for the peripheral AlVI of the Al13 structure to form stable Fe–O–Al covalent bonds.
Linking structural and functional changes during aging using multilayer brain network analysis
Authors: Jauny Gwendolyn , Mijalkov Mite , Canal-Garcia Anna , Volpe Giovanni , Pereira Joana , Eustache Francis , Hinault Thomas
Published: February 2024

Brain structure and function are intimately linked, however this association remains poorly understood and the complexity of this relationship has remained understudied. Healthy aging is characterised by heterogenous levels of structural integrity changes that influence functional network dynamics. Here, we use the multilayer brain network analysis on structural (diffusion weighted imaging) and functional (magnetoencephalography) data from the Cam-CAN database. We found that the level of similarity of connectivity patterns between brain structure and function in the parietal and temporal regions (alpha frequency band) is associated with cognitive performance in healthy older individuals. These results highlight the impact of structural connectivity changes on the reorganisation of functional connectivity associated with the preservation of cognitive function, and provide a mechanistic understanding of the concepts of brain maintenance and compensation with aging. Investigation of the link between structure and function could thus represent a new marker of individual variability, and of pathological changes.
A unified view on enzyme catalysis by cryo-EM study of a DNA topoisomerase
Authors: Chang Chiung-Wen Mary , Wang Shun-Chang , Wang Chun-Hsiung , Pang Allan H. , Yang Cheng-Han , Chang Yao-Kai , Wu Wen-Jin , Tsai Ming-Daw
Published: February 2024

The theories for substrate recognition in enzyme catalysis have evolved from lock-key to induced fit, then conformational selection, and conformational selection followed by induced fit. However, the prevalence and consensus of these theories require further examination. Here we use cryogenic electron microscopy and African swine fever virus type 2 topoisomerase (AsfvTop2) to demonstrate substrate binding theories in a joint and ordered manner: catalytic selection by the enzyme, conformational selection by the substrates, then induced fit. The apo-AsfvTop2 pre-exists in six conformers that comply with the two-gate mechanism directing DNA passage and release in the Top2 catalytic cycle. The structures of AsfvTop2-DNA-inhibitor complexes show that substantial induced-fit changes occur locally from the closed apo-conformer that however is too far-fetched for the open apo-conformer. Furthermore, the ATPase domain of AsfvTop2 in the MgAMP-PNP-bound crystal structures coexist in reduced and oxidized forms involving a disulfide bond, which can regulate the AsfvTop2 function.
Effective engineering of a ketoreductase for the biocatalytic synthesis of an ipatasertib precursor
Authors: Honda Malca Sumire , Duss Nadine , Meierhofer Jasmin , Patsch David , Niklaus Michael , Reiter Stefanie , Hanlon Steven Paul , Wetzl Dennis , Kuhn Bernd , Iding Hans , Buller Rebecca
Published: February 2024

Semi-rational enzyme engineering is a powerful method to develop industrial biocatalysts. Profiting from advances in molecular biology and bioinformatics, semi-rational approaches can effectively accelerate enzyme engineering campaigns. Here, we present the optimization of a ketoreductase from Sporidiobolus salmonicolor for the chemo-enzymatic synthesis of ipatasertib, a potent protein kinase B inhibitor. Harnessing the power of mutational scanning and structure-guided rational design, we created a 10-amino acid substituted variant exhibiting a 64-fold higher apparent kcat and improved robustness under process conditions compared to the wild-type enzyme. In addition, the benefit of algorithm-aided enzyme engineering was studied to derive correlations in protein sequence-function data, and it was found that the applied Gaussian processes allowed us to reduce enzyme library size. The final scalable and high performing biocatalytic process yielded the alcohol intermediate with ≥ 98% conversion and a diastereomeric excess of 99.7% (R,R-trans) from 100 g L−1 ketone after 30 h. Modelling and kinetic studies shed light on the mechanistic factors governing the improved reaction outcome, with mutations T134V, A238K, M242W and Q245S exerting the most beneficial effect on reduction activity towards the target ketone.
Phonon-mediated temperature dependence of Er3+ optical transitions in Er2O3
Authors: Dodson Adam , Wu Hongrui , Rai Anuruddh , Apte Sohm , O’Hara Andrew , Lawrie Benjamin , Wang Yongqiang , Ueda Akira , Krzyżanowska Halina , Titze Michael , Davidson Jimmy , Hmelo Anthony , Posadas Agham B. , Demkov Alexander A. , Pantelides Sokrates T. , Feldman Leonard C. , Tolk Norman H.
Published: February 2024

Characterization of the atomic level processes that determine optical transitions in emerging materials is critical to the development of new platforms for classical and quantum networking. Such understanding often emerges from studies of the temperature dependence of the transitions. We report measurements of the temperature dependent Er3+ photoluminescence in single crystal Er2O3 thin films epitaxially grown on Si(111) focused on transitions that involve the closely spaced Stark-split levels. Radiative intensities are compared to a model that includes relevant Stark-split states, single phonon-assisted excitations, and the well-established level population redistribution due to thermalization. This approach, applied to the individual Stark-split states and employing Er2O3 specific single-phonon-assisted excitations, gives good agreement with experiment. This model allows us to demonstrate the difference in the electron-phonon coupling of the 4S3/2 and 2H11/2 states of Er3+ in E2O3 and suggests that the temperature dependence of Er3+ emission intensity may vary significantly with small shifts in the wavelength (~0.1 nm) of the excitation source.
Advances in 3D silicon-based lithium-ion microbatteries
Authors: Refino Andam Deatama , Eldona Calvin , Hernandha Rahmandhika Firdauzha Hary , Adhitama Egy , Sumboja Afriyanti , Peiner Erwin , Wasisto Hutomo Suryo
Published: February 2024

Miniaturization of modern microelectronics to accommodate the development of portable and smart devices requires independent energy storage that is compact, lightweight, reliable, and integrable on-chip. Three-dimensional lithium-ion microbatteries are considered as promising candidates to fill the role, owing to their high energy and power density. Combined with silicon as a high-capacity anode material, the performance of the microbatteries can be further enhanced. In this review, the latest developments in three-dimensional silicon-based lithium-ion microbatteries are discussed in terms of material compatibility, cell designs, fabrication methods, and performance in various applications. We highlight the relation between device architecture and performance as well as comparison between different fabrication technologies. Finally, we suggest possible future studies based on the current development status to provide a research direction towards further improved three-dimensional silicon-based lithium-ion microbatteries.
Small extracellular vesicles in follicular fluids for predicting reproductive outcomes in assisted reproductive technology
Authors: Muraoka Ayako , Yokoi Akira , Yoshida Kosuke , Kitagawa Masami , Asano-Inami Eri , Murakami Mayuko , Bayasula  , Miyake Natsuki , Nakanishi Natsuki , Nakamura Tomoko , Osuka Satoko , Iwase Akira , Kajiyama Hiroaki
Published: February 2024

Background

Assisted reproductive technology accounts for an increasing proportion of infertility treatments, and assessments to predict clinical pregnancy outcomes are desired. Extracellular vesicles exist in follicular fluid, and small non coding RNAs in extracellular vesicles underline the possibility of reflecting pregnancy potential.

Methods

Follicular fluid samples are collected from 20 ovarian follicles of 15 infertile patients undergoing assisted reproductive technology. Extracellular vesicles are isolated by serial centrifugation and small RNA sequencing is performed to investigate the profiles of microRNAs and P-element-induced wimpy testis-interacting RNAs.

Results

Small extracellular vesicles with a size range of approximately 100 nm are successfully isolated, and the small non coding RNA profiles of pregnant samples (n = 8) are different from those of non-pregnant samples (n = 12). Fourteen dysregulated small non coding RNAs are selected to identify the independent candidates [mean read count >100, area under the curve >0.8]. Among them, we find that a specific combination of small non coding RNAs (miR-16-2-3p, miR-378a-3p, and miR-483-5p) can predict the pregnant samples more precisely using a receiver operating characteristics curves analysis (area under the curve: 0.96). Furthermore, even in the same patients, the three microRNAs are differentially expressed between pregnant and non-pregnant samples.

Conclusions

Our results demonstrate that small non coding RNAs derived from small extracellular vesicles in follicular fluid can be potential non-invasive biomarkers for predicting pregnancy, leading to their probable application in assisted reproductive technology. Further large-scale studies are required to validate the clinical usefulness of these small non coding RNAs.
Engineering sulfated polysaccharides and silk fibroin based injectable IPN hydrogels with stiffening and growth factor presentation abilities for cartilage tissue engineering
Authors: Dixit Akansha , Mahajan Aman , Saxena Rakshita , Chakraborty Saptomee , Katti Dhirendra S.
Published: February 2024

In this study, we combined the β-sheet mediated self-stiffening ability of silk with growth factor presenting ability of sulphated carboxymethyl cellulose in an injectable interpenetrating network hydrogel for repair of articular cartilage defects.