bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Interlocked and Non‐Interlocked Deca(para‐phenylene) Derivatives by Ni‐mediated Biaryl Coupling
Authors: Ohta Misuzu , Okuda Ayano , Hosoya Shoichi , Yoshigoe Yusuke , Saito Shinichi
Published: January 2024

Oligo(para‐phenylene) (PPn) is a compound composed of directly connected 1,4‐phenylene moieties. The synthesis of PPn composed of six or more phenylene moieties with no substituent at the internal phenylene moiety has been challenging because of its low solubility. Herein we synthesized oligo(para‐phenylene)[2]rotaxanes, including a deca(para‐phenylene)[2]rotaxane, with a defined number of phenylene moieties. Biaryl coupling of iodoarenes mediated by macrocyclic dibenzodihydrophenanthroline‐Ni complex was utilized for the first time to synthesize the [2]rotaxanes. Compared to the non‐interlocked deca(para‐phenylene), the deca(para‐phenylene)[2]rotaxane showed higher solubility. The properties of the oligo(para‐phenylene)[2]rotaxanes and non‐interlocked oligo(para‐phenylene)s were analyzed by spectroscopic methods.
Synthesis, Theoretical and Experimental Investigation of Electronic Properties of New Fluoranthenyl‐Based Compounds for OLEDs Applications
Authors: Bennacer PHD. Younes , Guergouri Mounia , Bensegueni Rafik , Boutebdja Mehdi , Kherrouba Abdelmadjid
Published: January 2024

Three novel conjugated molecules have been synthesized: 2‐(fluoranthen‐3‐yliminomethyl)‐3,4‐ethylenedioxythio‐phene (EIF), 2‐(fluoranthen‐3‐yliminomethyl) thiophene (TIF), and 2‐(fluoranthen‐3‐yliminomethyl) fluorene (FIF). Optical properties were obtained from electronic absorption and emission spectra in DMSO solution. The solvatochromic properties of the molecules have been studied in different solvents. Electrochemical properties were studied by cyclic voltammetry in a Bu4NBF4 (0.1 M)/MeCN organic solution. As part of investigations to explain the nature of electronic transition process, we have performed geometry optimization of both the ground and the vertical excitation states, using the DFT B3LYP/6‐311G (d, p) and TD‐DFT (CPCM)/B3LYP/6‐311G (d, p) approaches, respectively. Theoretical calculations closely match the experimental findings. Results show that EIF, TIF and FIF are potential candidates to be used as electron transport layer in Organic Light‐Emitting Diodes (OLEDs).
Ultrasound‐Assisted Preparation and Performance Regulation of Electrocatalytic Materials
Authors: Deng Qibo , Chen Shuang , Wu Wenliu , Zhang Shiyu , An Cuihua , Hu Ning , Han Xiaopeng
Published: January 2024

With the advancement of scientific research, the introduction of external physical methods not only adds extra freedom to the design of electro‐catalytical processes for green technologies but also effectively improves the reactivity of materials. Physical methods can adjust the intrinsic activity of materials and modulate the local environment at the solid‐liquid interface. In particular, this approach holds great promise in the field of electrocatalysis. Among them, the ultrasonic waves have shown reasonable control over the preparation of materials and the electrocatalytic process. However, the research on coupling ultrasonic waves and electrocatalysis is still early. The understanding of their mechanisms needs to be more comprehensive and deep enough. Firstly, this article extensively discusses the adhibition of the ultrasonic‐assisted preparation of metal‐based catalysts and their catalytic performance as electrocatalysts. The obtained metal‐based catalysts exhibit improved electrocatalytic performances due to their high surface area and more exposed active sites. Additionally, this article also points out some urgent unresolved issues in the synthesis of materials using ultrasonic waves and the regulation of electrocatalytic performance. Lastly, the challenges and opportunities in this field are discussed, providing new insights for improving the catalytic performance of transition metal‐based electrocatalysts.
Putting eDNA to the test: A field comparison of eDNA metabarcoding to established protocols for assessing biodiversity in Missouri's Ozark Highland streams
Authors: Lee Veronica M. , Berkman Leah K. , Geheber Aaron D. , Landwer Brett , Ludwig Eric J. , Duvernell David D.
Published: January 2024

Aquatic biodiversity monitoring to inform conservation and management efforts in‐stream systems has increasingly begun to incorporate environmental DNA (eDNA)‐based sampling methods. We conducted a comparison of eDNA metabarcoding to a traditional protocol of combined seining and electrofishing methods to assess fish biodiversity of wadeable stream sites in six separate drainages in the Ozark Highlands of Missouri (USA). The study further focused on the headwaters of the Meramec River, which included 11 sites and seasonal sampling (summer and winter). We compared estimates of diversity across sampling methods, assessed the influences of water flow (depth, velocity, and discharge) and season, and tested the effects of sampling method and site locality on fish assemblage composition. eDNA sampling detected approximately double the number of species compared to traditional methods, providing higher diversity estimates while maintaining the relative ranking of sites. eDNA detection probabilities were positively associated with stream depth and velocity and were generally higher in summer than in winter but not for all species. Estimated species richness was positively associated with discharge for both methods but the relationship was stronger with eDNA sampling. Assemblage differences between tributary and mainstem sites were attributable to a small number of species that were found predominantly in one stream size category or the other, indicating that eDNA was sensitive to within‐drainage assemblage structure relationships. We highlight improved species detection, a more comprehensive understanding of assemblage structural dynamics, and the potential ability to integrate data across sampling methods as important benefits that encourage the use of eDNA metabarcoding as a primary collection method in future stream biodiversity assessment and monitoring programs.
A Computational Fluid Dynamics–Discrete Element Method Model for Physics‐Based Simulation of Structure Formation during Battery Electrode Drying
Authors: Wolf Silas , Lippke Mark , Schoo Alexander , Kwade Arno , Schilde Carsten
Published: January 2024

Drying is a critical process step during battery electrode production due to its microstructure defining nature. Distribution and interconnectivity of active material particles, pores, and the overall porosity significantly influence the later cell performance. Knowledge about structure formation as well as electrode property prediction are crucial for optimization and targeted electrode design. However, the exact microprocesses during electrode drying are not yet understood well and very difficult to access experimentally. Therefore, in this study, a combination of computational fluid dynamics (CFD) and discrete element method (DEM) simulation models for investigating structure formation considering particle–particle as well as fluid‐particle interactions and vice versa is presented. , The volume of fluid method is used for taking into account the fluid‐fluid interface, evaporation and capillary interactions. The simulations reveal the formation of a top–down consolidation front which interacts with the fluid leading to a backflow of liquid. The results show good agreement with experimental measurements for NMC622 cathodes. Furthermore, the influence of production parameters such as mass loading and solids content is examined. The findings demonstrate the modeling tool's suitability for process engineers to anticipate and enhance electrode characteristics and facilitate scientists to understand complex structure formation relationships.
Effect of operating parameters of desiccant wheel on the performance of solar desiccant dehumidifier
Authors: Kushwaha Pravesh Kumar , Kumar Amit , Choudhary Rajesh
Published: January 2024

To produce dry air, desiccant wheel is a very common choice now a day. However, it's crucial to utilize the desiccant wheel effectively. Therefore, in the present investigation, a numerical model is developed to identify the best operating conditions for a solar desiccant dehumidifier based on desiccant wheel and it is observed that the dehumidification capacity can be increased by simultaneously increasing the process air velocity and RPH of the desiccant wheel. A higher temperature of hot air for regeneration allows for a higher process‐to‐regeneration sector facial area ratio, which results in higher amount of dry air. After the mathematical investigation, the desiccant wheel is attached with solar air heater for experimental investigation. The solar air heater is based on both ends open evacuated tube collector, which is able to produce hot air at about 150°C at a mass flow rate of 143 kg/h. At this temperature the desiccant wheel shows remarkable dehumidification effectiveness of 0.61 with an average moisture removal of 0.0098 kgwp/kgda. The average thermal effectiveness and DCOP of the solar desiccant dehumidifier are observed to be 0.24 and 0.23, respectively.
Dynamic cyclic loading tests for investigating the influence of loading rate and axial force on the lateral response of RC columns
Authors: Park Jamin , Park Minseok , Chae Yunbyeong , Kim Chul‐Young
Published: January 2024

The material properties of steel and concrete vary depending on the loading rate to which they are subjected. To realistically evaluate the seismic performance of reinforced concrete (RC) columns, it is necessary to simulate the loading rate that structures will experience during seismic events as accurately as possible. Real‐time dynamic testing is preferred over quasi‐static testing for this purpose. On the other hand, the seismic performance of RC columns also depends on the axial force applied to the column. However, due to the large axial stiffness of RC columns, accurately controlling the axial force during the test, particularly in real‐time testing, is challenging. Consequently, only a few component‐level dynamic tests have been conducted for RC columns. This study aims to explore the influence of axial force and loading rate on the seismic performance of RC columns. To this end, both slow and fast cyclic loading tests were conducted on square cross‐section RC columns subjected to four different axial forces. By utilizing a robust actuator control method along with a specially designed load transfer element, the axial force was successfully controlled, while the lateral displacements were imposed on the columns in real‐time. The results include lateral strengths, postyield responses, damage patterns, rebar strains, and their rates, all of which constitute unique experimental data that can contribute to a deeper understanding of the actual seismic response of RC columns.
On the prevalence of ‘food addiction’ in persons with bulimia nervosa
Authors: Meule Adrian
Published: January 2024

A meta‐analysis by Praxedes and colleagues published in this journal reports that the prevalence of ‘food addiction’ as measured with the Yale Food Addiction Scale is lower than 50% in persons with bulimia nervosa and higher in persons with binge eating disorder. However, closely examining the supplementary material of that article reveals that these numbers cannot possibly be correct. Instead, most studies indicate that the prevalence of ‘food addiction’ is higher than 80% in persons with bulimia nervosa and, thus, higher than in persons with other eating disorders.
Reconstruction of palaeo‐oil reservoirs in the ultra‐deep and over‐mature Sinian Dengying Formation of the Central Sichuan Basin: Insights from basin and petroleum system modelling
Authors: Li Yishu , Liu Guangdi , Song Zezhang , Wen Long , Sun Mingliang , Tian Xingwang , Yang Dailing , Zhu Lianqiang
Published: January 2024

Ultra‐deep Sinian carbonate rocks are rich in natural gas, and the Deng‐4 Member of the Central Sichuan Basin has been shown to have an extremely high degree of thermal evolution. They are characterized by dry gas produced due to the thermal cracking of palaeo‐oil reservoirs (PORs). The distribution of PORs as materials for the formation of cracked gas reservoirs remains unclear. The complex multistage evolution process and limited drilling data make it challenging to precisely and systematically recover a range of PORs. Based on basin and petroleum system modelling (BPSM), the bottom‐up migration and accumulation method was used to investigate the distribution of PORs. Research shows that the PORs in the Sinian Deng‐4 Member were mainly formed in the Early–Middle Triassic under the mixed contribution of Cambrian and Sinian source rocks, and the coupling of palaeostructural and trap settings controlled its accumulation. Generally, the distribution of PORs can be divided into two categories: one is located at the core of the uplift zone and is controlled by structural‐stratigraphic composite traps, whereas the other is controlled by a series of lithologic traps formed in the slope area. Sensitivity analysis showed that the distribution patterns of the PORs were mostly related to the facies conditions (physical characteristics) of the reservoirs. The widely distributed PORs provide necessary and sufficient material conditions for the formation of cracked Sinian gas reservoirs in the Central Sichuan Basin, and the North Slope area has great potential for natural gas exploration in the future.
KDS2010, a reversible MAO‐B inhibitor, extends the lifetime of neural probes by preventing glial scar formation
Authors: Chae Uikyu , Chun Heejung , Lim Jiwoon , Shin Hyogeun , Smith Wesley Charles , Choi Ji Won , Park Ki Duk , Lee C. Justin , Cho Il‐Joo
Published: January 2024

Implantable neural probes have been extensively utilized in the fields of neurocircuitry, systems neuroscience, and brain‐computer interface. However, the long‐term functionality of these devices is hampered by the formation of glial scar and astrogliosis at the surface of electrodes. In this study, we administered KDS2010, a recently developed reversible MAO‐B inhibitor, to mice through ad libitum drinking in order to prevent glial scar formation and astrogliosis. The administration of KDS2010 allowed long‐term recordings of neural signals with implantable devices, which remained stable over a period of 6 months and even restored diminished neural signals after probe implantation. KDS2010 effectively prevented the formation of glial scar, which consists of reactive astrocytes and activated microglia around the implant. Furthermore, it restored neural activity by disinhibiting astrocytic MAO‐B dependent tonic GABA inhibition induced by astrogliosis. We suggest that the use of KDS2010 is a promising approach to prevent glial scar formation around the implant, thereby enabling long‐term functionality of neural devices.
The feasibility, acceptability and potential efficacy of a parental text message and social media program on children's vegetable consumption and movement behaviours: A pilot randomised controlled trial
Authors: Norman Jennifer , Furber Susan , Bauman Adrian , Okely Anthony D.
Published: January 2024

Issue Addressed

Australian children fall short of meeting the dietary, physical activity and sedentary behaviour guidelines. This study aimed to test the feasibility, acceptability and potential efficacy of a parental text message and social media program on, primarily, their school‐aged children's vegetable consumption and movement behaviours, and, secondarily, their own.

Methods

Between August and November 2022, we conducted a two‐armed randomised controlled trial with 242 parents/caregivers of primary school‐aged children in New South Wales. The ‘Adventure & Veg’ intervention ran for 8 weeks, promoting vegetable eating behaviours, local outdoor physical activity opportunities and ideas for reducing screen time. Feasibility and acceptability were assessed via recruitment and retention data, intervention metrics and self‐reported participant data. Vegetable intake and movement behaviour data were collected via online‐surveys and effect sizes were examined.

Results

Most participants reported that they enjoyed receiving the text messages (88%) and the delivery frequency was acceptable (94%). Limitations to Facebook as a delivery platform were reported. The majority of participants used the text messages to influence the vegetable eating (65%) and movement (77%) behaviours of their child. Significant effects were observed among intervention child participants compared with control for mean daily vegetable consumption (0.45 serves, CI: .19; .71, p = .001, d = .5); weekly vegetable variety (1.85, CI: .25; 3.45, p < .001, d = .6); and weekly physical activity variety (.64 CI: .09; 1.19, p = .022, d = .3). Parents in the intervention group increased their daily vegetable intake by .44 serves (CI: .11; .78, p = .01, d = .4).

Conclusions

A parental text message and social media program has potential to support children's vegetable intake and movement behaviours. Further research is required to explore different online delivery methods to promote local outdoor activity options.

So What?

The Adventure & Veg program holds promise as a stand‐alone health promotion intervention or as a useful adjunct to current family or school‐based healthy lifestyle programs.
Hyperglycemia and elevated C‐reactive protein are independent predictors of hospital mortality in hospitalized COVID‐19 patients in South‐Kivu, eastern Democratic Republic of the Congo: A cross‐sectional study
Authors: Tshongo Christian , Baguma Marius , Mateso Guy‐Quesney , Makali Samuel Lwamushi , Bedha Aline , Mwene‐Batu Pacifique , Mihigo Martine , Nzabara Fabrice , Balola Cordule , Kabuya Pierre , Bapolisi Achille , Masimango Mannix I. , Bahizire Esto , Maheshe‐Balemba Ghislain , Shindano Tony A. , Cirhuza Cikomola
Published: January 2024

Background and Aim

The coronavirus disease 2019 (COVID‐19) pandemic was a priority public health problem because of its high mortality rate. This study mainly aimed to determine factors associated with a poor outcome in COVID‐19 hospitalized patients in South‐Kivu, an eastern province of the Democratic Republic of the Congo (DRC).

Methods

This observational study retrospectively evaluated medical records of patients consecutively admitted for probable or confirmed COVID‐19 between May 01 and July 31, 2020 at the Hôpital Provincial Général de Référence de Bukavu (HPGRB), a tertiary hospital located in South‐Kivu. A binary logistic regression model was performed to determine the predictors of mortality.

Results

A total of 157 hospitalized COVID‐19 patients aged 57.7 (13.2) years were included in this study. Male gender (69.4%), older age (52.9%), medical history of diabetes (38.2%), and arterial hypertension (35.1%) were the most frequent risk factors. Most patients presented with fever (73.3%), cough (72.6%), and dyspnea (66.2%). Overall, 45.1% of patients died. Intrahospital mortality was significantly associated with advanced age [odds ratio, OR (95% confidence interval, CI) = 2.34 (1.06–5.38)], hypoxemia [OR (95% CI) = 4.67 (2.02–10.77)], hyperglycemia [OR (95% CI) = 2.14 (1.06–4.31)], kidney failure [OR (95% CI) = 2.82 (1.4–5.68)], hyperleukocytosis [OR (95% CI) = 3.33 (1.67–6.66)], and higher C‐reactive protein (CRP) levels [OR (95% CI) = 3.93 (1.93–8.01)]. After adjustment for various covariates, only higher CRP levels [OR (95% CI) = 3.23 (1.23–8.5)] and hyperglycemia [OR (95% CI) = 2.5 (1.02–6.11)] at admission were independently associated with mortality.

Conclusion

Hyperglycemia and marked inflammatory syndrome were the major predictors of poor outcomes in patients hospitalized for COVID‐19 in South‐Kivu. These two factors should be quantified at hospital admission to establish the patient's prognosis.
Uterine peristalsis in women affected by adenomyosis: A step towards functional assessment
Authors: Arena Alessandro , Zanello Margherita , Orsini Benedetta , Degli Esposti Eugenia , Iodice Raffaella , Altieri Michele , Borgia Alessandra , Moro Elisa , Seracchioli Renato , Casadio Paolo
Published: January 2024

Objective

The non‐pregnant uterus shows an intrinsic contractility pattern, actively involved in early reproductive processes. Uterine contractility is characterized by endometrial waves that originate from the junctional zone and varies throughout the menstrual cycle due to fluctuations in the concentrations of hormones. The aim of this study was to compare the uterine contractility patterns in the periovulatory phase in a group of patients with isolated adenomyosis and a group of healthy women using transvaginal ultrasound (TVUS).

Methods

From March 2019 to March 2021, we enrolled consecutive nulliparous patients in the periovulatory phase of the menstrual cycle, divided in patients with isolated adenomyosis (group A, n = 18) and healthy patients in the control group (group B, n = 18). Patients who met the inclusion criteria underwent TVUS for the study of uterine contractility: the uterus was scanned on sagittal plane for 3 min and all the movies were recorded. Then, static images and video were evaluated offline and the uterine contractility patterns were defined.

Results

The patients belonging to the study group had a higher incidence of painful symptoms (dysmenorrhea, 6.11 ± 2.81 vs 1.39 ± 2.17; chronic pelvic pain, 2.56 ± 3.01 vs 0.39 ± 1.04) and a larger uterine volume (137.48 ± 117.69 vs 74.50 ± 27.58 cm3; P = 0.04). Regarding the uterine contractility, a statistically significant difference was observed about the retrograde patterns (group A, 27.8% vs group B, 72.2%, P < 0.01) and opposing (group A, 38.9% vs, group B, 5.6%, P = 0.02).

Conclusion

The study confirms the presence of altered uterine peristalsis in the periovulatory phase in patients with adenomyosis. The abnormal uterine peristalsis could lead to both structural and functional changes, which are the basis of the clinical manifestations of adenomyosis and the perpetuation of the anatomical damage.
Factors affecting the reproductive outcome in reciprocal translocation carriers undergoing preimplantation genetic testing for structural rearrangements (PGTSR)
Authors: Jia Miaomiao , Shi Juanzi , Shi Wenhao , Xue Xia
Published: January 2024

Objective

To investigate the reproductive outcomes of balanced reciprocal translocation carriers and evaluate the association between the number of metaphase‐II oocytes retrieved and cumulative live birth rates (LBRs).

Methods

This retrospective analysis included 344 preimplantation genetic testing (PGT) for structural rearrangement cycles of 281 couples with balanced reciprocal translocations between January 2018 and January 2021. All patients included in the analysis had either delivered a baby or had used all their embryos after one stimulation cycle. All women were followed up for at least 2 years.

Results

After ovarian stimulation and oocyte fertilization, 44.2% of PGT for structural rearrangements cycles achieved a live birth. Carrier's sex and female age did not affect the cumulative LBR of reciprocal translocation carriers. Cumulative LBRs steadily increased with the number of oocytes, reaching 64% when >20 oocytes were retrieved. The cutoff values for achieving at least one live birth were 9.5 metaphase‐II (MII) oocytes and 3.5 biopsied embryos.

Conclusion

Couples with reciprocal translocations have lower transferable embryo rates and cumulative LBRs. The MII oocytes retrieved may be a crucial factor for cumulative LBRs. A high ovarian response may further increase cumulative LBRs, but avoidance of ovarian hyperstimulation syndrome or other iatrogenic complications should be considered.
Reliability and validity of the Chinese version of the COMPI Fertility Problem Stress Scale—Short Form for infertile women
Authors: Hu Shuang , Su Chengying , Zhou Linlin , Dai Ling
Published: January 2024

Objective

To translate and culturally adapt the COMPI Fertility Problem Stress Scale–Short form (COMPI‐FPSS‐SF) and to test its reliability and validity in China.

Methods

The cross‐sectional study adopted Brislin's translation model to translate, synthesize, back‐translate, and cross‐culturally adapt the COMPI‐FPSS‐SF for the Chinese setting. A total of 279 infertile women were invited to participate in the study to test the reliability and validity of the scale between March and June 2021.

Results

It was verified that the Chinese version of the COMPI‐FPSS‐SF has three domains with nine items. The Cronbach's α coefficient of the total scale was 0.907, and the coefficient for each dimension ranged from 0.760 to 0.855. The test–retest validity was 0.891. The exploratory factor analysis extracted three common factors with eigenvalues of 4.499, 1.124, and 1.011 and a cumulative variance contribution of 73.706. The validity factor analysis showed good results for the three‐factor structure fit. The criterion‐related validity with the Fertility Inventory Short‐Form Scale was 0.649. The above analysis revealed statistically significant differences (P < 0.001).

Conclusions

The Chinese version of the COMPI‐FPSS‐SF can be used for the assessment of fertility‐related stress in infertility patients in China with good reliability and validity.
Application of microscopy and spectroscopy in investigating anti‐cancer potential of Achyranthes aspera L. leaves
Authors: Bashir Huma , Sadia Sehrish , Saddiqe Zeb , Munir Mubashrah , Bai Xiaohang , Jia Meiyu , Ahmad Khawaja Shafique
Published: January 2024

The genus Achyranthes belong to the family Amaranthaceae which constitutes an important group of herbs and shrubs with immense medicinal value. The present research work was conducted to investigate the anticancer potential of Achyranthes aspera L. leaves by focusing on the antioxidant, aniproliferative and antimitotic activities of leaf extracts. Plant extraction was carried out by soxhelt method with different solvents. Phytochemical characterization of the plants extracts using chemical methods identified the presence of cardiac glycosides, saponins, coumarins, proteins, tannins, flavonoids and triterpenes. Alkaloid was present in methanolic and ethanolic extract. High performance liquid chromatography showed presence of different concentration of myricetin, quercetin and kaempferol in different extracts with the highest concentration of myricetin (84.53 μg/mL) in n‐butanolic extract. The extracts were then tested for antioxidant activity using 2,2‐diphenylpicrylhydrazyl (DPPH) radical scavenging assay by spectrophotometric method. In DPPH radical scavenging assay, antioxidant activity of A. aspera ranged between 79.78 ± 0.034% and 58.63 ± 0.069%. Highest antioxidant activity was observed for methanolic extract and lowest for acetone. Antimitotic activity was determined by using Allium cepa assay in which microscopic investigation was carried out to observe normal and abnormal phases of mitosis. In this assay, n‐butanolic extract had highest antimitotic activity with minimum mitotic index at 2 mg/mL (57 ± 0.0351%). The plant extracts also caused chromosomal and mitotic aberrations which were clearly observed under 40× and 100× magnification of compound microscope. Antiproliferative activity was determined by using yeast cell model in which light microscope with hemocytometer was used for cell counting. In case of Antiproliferative activity, the ethyl acetate extract of A. aspera had highest antiproliferative activity with lowest cell viability (22.14 ± 0.076%) at highest extract concentration (2 mg/mL) while methanol extract of A. aspera had highest antiproliferative activity with lower cell viability (24.24 ± 0.057%) at lowest extract concentration (0.25 mg/mL). The results of the study indicated that the leaves extract of A. aspera have strong potential to be used as a source of anti‐cancer agent.

Research Highlights

Achyranthes aspera L. leaves have various phytochemicals which contribute to its medicinal properties

Various extracts of the leaves of A. aspera L. possess antioxidant, antimitotic and antiproliferative potential

The results of the study indicated that the leaves extract of A. aspera have strong potential to be used as a source of anti‐cancer agent.
Comparative anatomy of the spinneret musculature in cribellate and ecribellate spiders (Araneae)
Authors: Kreuz Josefine , Michalik Peter , Wolff Jonas O.
Published: January 2024

Silk production is a prominent characteristic of spiders. The silk is extruded through spigots located on the spinnerets, which are single‐ to multimembered paired appendages at the end of the abdomen. Most extant spiders have three pairs of spinnerets, and in between either a cribellum (spinning plate) or a colulus (defunct vestigial organ), dividing these spiders into cribellate and ecribellate species. Previous research has shown that cribellate and ecribellate spiders differ not only in the composition of their spinning apparatus but also in the movements of their spinnerets during silk spinning. The objective of this study was to determine whether the differences in spinneret movements are solely due to variations in spinneret shape or whether they are based on differences in muscular anatomy. This was accomplished by analyzing microcomputed tomography scans of the posterior abdomen of each three cribellate and ecribellate species. It was found that the number of muscles did not generally differ between cribellate and ecribellate species, but varied considerably between the species within each of these two groups. Muscle thickness, particularly of the posterior median spinneret, varied slightly between groups, with cribellate spiders exhibiting more robust muscles, possibly to aid in the combing process during cribellar thread production. Interestingly, the vestigial colulus still possesses muscles, that can be homologized with those of the cribellum. This exploration into spinneret anatomy using microcomputed tomography data reveals that despite being small appendages, the spider spinnerets are equipped with a complex musculature that enables them to perform fine‐scaled maneuvers to construct different fiber‐based materials.
MRI‐Based Kinetic Heterogeneity Evaluation in the Accurate Access of Axillary Lymph Node Status in Breast Cancer Using a Hybrid CNN‐RNN Model
Authors: Guo Yi‐Jun , Yin Rui , Zhang Qian , Han Jun‐Qi , Dou Zhao‐Xiang , Wang Peng‐Bo , Lu Hong , Liu Pei‐Fang , Chen Jing‐Jing , Ma Wen‐Juan
Published: January 2024

Background

Accurate evaluation of the axillary lymph node (ALN) status is needed for determining the treatment protocol for breast cancer (BC). The value of magnetic resonance imaging (MRI)‐based tumor heterogeneity in assessing ALN metastasis in BC is unclear.

Purpose

To assess the value of deep learning (DL)‐derived kinetic heterogeneity parameters based on BC dynamic contrast‐enhanced (DCE)‐MRI to infer the ALN status.

Study Type

Retrospective.

Subjects

1256/539/153/115 patients in the training cohort, internal validation cohort, and external validation cohorts I and II, respectively.

Field Strength/Sequence

1.5 T/3.0 T, non‐contrast T1‐weighted spin‐echo sequence imaging (T1WI), DCE‐T1WI, and diffusion‐weighted imaging.

Assessment

Clinical pathological and MRI semantic features were obtained by reviewing histopathology and MRI reports. The segmentation of the tumor lesion on the first phase of T1WI DCE‐MRI images was applied to other phases after registration. A DL architecture termed convolutional recurrent neural network (ConvRNN) was developed to generate the KHimage (kinetic heterogeneity of DCE‐MRI image) score that indicated the ALN status in patients with BC. The model was trained and optimized on training and internal validation cohorts, tested on two external validation cohorts. We compared ConvRNN model with other 10 models and the subgroup analyses of tumor size, magnetic field strength, and molecular subtype were also evaluated.

Statistical Tests

Chi‐squared, Fisher's exact, Student's t, Mann–Whitney U tests, and receiver operating characteristics (ROC) analysis were performed. P < 0.05 was considered significant.

Results

The ConvRNN model achieved area under the curve (AUC) of 0.802 in the internal validation cohort and 0.785–0.806 in the external validation cohorts. The ConvRNN model could well evaluate the ALN status of the four molecular subtypes (AUC = 0.685–0.868). The patients with larger tumor sizes (>5 cm) were more susceptible to ALN metastasis with KHimage scores of 0.527–0.827.

Data Conclusion

A ConvRNN model outperformed traditional models for determining the ALN status in patients with BC.

Level of Evidence

3

Technical Efficacy

Stage 2
Incorporating DC bias voltage in poly‐harmonic distortion modeling for RF power GaN transistors
Authors: Cheng Shuhao , Tang Xiaoqiang , Marinković Zlatica , Crupi Giovanni , Cai Jialin
Published: January 2024

This paper presents a novel poly‐harmonic distortion (PHD) model that incorporates the DC input and output bias voltages using Gaussian process regression (GPR). Simulation tests were conducted using a 10‐W gallium nitride (GaN) HEMT transistor from Wolfspeed, and the model implementation test was performed in the Keysight Advanced Design System environment. The results showed that the GPR‐based PHD model exhibited good performance in predicting both fundamental and harmonic behaviors over a wide range of bias variations with significant advantages over basic linear regression methods. Additionally, the model accurately predicted load‐pull simulations. The measurement test was conducted using a 6‐W GaN device, and the results showed a mean error of 2.22% and 4.54% for the fundamental and second harmonic of the reflected wave, respectively.
Characterization of carfentanil and thiofentanil using surface‐enhanced Raman spectroscopy and density functional theory
Authors: Öberg Rasmus , Landström Lars , Gracia‐Espino Eduardo , Larsson Andreas , Andersson Magnus , Andersson Per Ola
Published: January 2024

Fentanyls are synthetic opioids up to 10,000 times more potent than morphine. Although initially developed for medical applications, fentanyl and its analogues have recently grown synonymous with the ongoing opioid epidemic. To combat the continued spread of these substances, there is a need for rapid and sensitive techniques for chemical detection. Surface‐enhanced Raman spectroscopy (SERS) has the potential for trace detection of harmful chemical substances. However, vibrational spectra obtained by SERS often differ between SERS substrates, as well as compared with spectra from normal Raman (NR) spectroscopy. Herein, SERS and NR responses from two fentanyl analogues, carfentanil (CF) and thiofentanil (TF), were measured and analysed with support from density functional theory (DFT) modelling. Using commercially available silver nanopillar SERS substrates, the SERS signatures of samples diluted in acetonitrile between 0.01 and 1000 µg/mL were studied. Relative SERS peak intensities measured in the range of 220–1800 cm−1 vary with concentration, while SERS and NR spectra largely agree for CF at higher concentrations (
100 µg/mL). For TF, three distinct NR peaks at 262, 366 and 667 cm−1 are absent or strongly suppressed in the SERS spectrum, attributed to the lone‐pair electrons of the thiophene's sulphur atom binding to the Ag surface. The concentration dependence of the Raman peak at
1000 cm−1, assigned to trigonal bending of the phenyl ring, approximately follows a Langmuir adsorption isotherm. This work elucidates similarities and differences between SERS and NR in fentanyl detection and discusses the chemical rationale behind these differences.
High‐pressure behavior and stability of synthetic buetschliite K2Ca(CO3)2 up to 19 GPa and 300°C
Authors: Likhacheva Anna Yu , Miloš Sofija , Romanenko Alexandr V. , Goryainov Sergey V. , Semerikova Anna I. , Rashchenko Sergey V. , Miletich Ronald , Shatsky Anton
Published: January 2024

The occurrence of buetschliite, K2Ca(CO3)2, as inclusions in mantle minerals, is considered as one of the keys to understanding phase relationships of dense carbonates and outlines the potential role of potassium carbonates in the Earth's deep carbon cycle. Within this scope, the high‐pressure behavior of synthetic buetschliite is characterized by in situ Raman spectroscopy up to 19 GPa and 300°C. Up to 6 GPa, the compression is regular, then the splitting of some of the lattice and internal modes defines the transition to a low‐symmetry phase, in analogy to that observed previously in K2Mg(CO3)2. The temperature rise to 300°C shifts the transition pressure from ~6 to ~8 GPa, but on the whole, it does not change the high‐pressure behavior of K2Ca(CO3)2. The observed pressure‐induced spectral changes are fully reversible at room and elevated temperature. The findings show the expansion of buetschliite baric stability with temperature, which confirms its importance as a constituent of carbonate inclusions in deep minerals.
Effect of rt‐PA on Shear Wave Mechanical Assessment and Quantitative Ultrasound Properties of Blood Clot Kinetics In Vitro
Authors: Bosio Guillaume , Destrempes François , Roy Cardinal Marie‐Hélène , Cloutier Guy
Published: January 2024

Objective

The consequences associated with blood clots are numerous and are responsible for many deaths worldwide. The assessment of treatment efficacy is necessary for patient follow‐up and to detect treatment‐resistant patients. The aim of this study was to characterize the effect of treatment on blood clots in vitro using quantitative ultrasound parameters.

Methods

Blood from 10 pigs was collected to form three clots per pig in gelatin phantoms. Clots were subjected to 1) no treatment, 2) rt‐PA (recombinant tissue plasminogen activator) treatment after 20 minutes of clotting, and 3) rt‐PA treatment after 60 minutes of clotting. Clots were weighted before and after the experiment to assess the treatment effect by the mass loss. The clot kinetics was studied over 100 minutes using elastography (Young's modulus, shear wave dispersion, and shear wave attenuation). Homodyne K‐distribution (HKD) parameters derived from speckle statistics were also studied during clot formation and dissolving (diffuse‐to‐total signal power ratio and intensity parameters).

Results

Treated clots loosed significantly more mass than non‐treated ones (P < .005). A significant increase in Young's modulus was observed over time (P < .001), and significant reductions were seen for treated clots at 20 or 60 minutes compared with untreated ones (P < .001). The shear wave dispersion differed for treated clots at 60 minutes versus no treatments (P < .001). The shear wave attenuation decreased over time (P < .001), and was different for clots treated at 20 minutes versus no treatments (P < .031). The HKD intensity parameter varied over time (P < .032), and was lower for clots treated at 20 and 60 minutes than those untreated (P < .001 and P < .02).

Conclusion

The effect of rt‐PA treatment could be confirmed by a decrease in Young's modulus and HKD intensity parameter. The shear wave dispersion and shear wave attenuation were sensitive to late and early treatments, respectively. The Young's modulus, shear wave attenuation, and HKD intensity parameter varied over time despite treatment.
Outwelling of reduced porewater drives the biogeochemistry of dissolved organic matter and trace metals in a major mangrove‐fringed estuary in Amazonia
Authors: Knoke Melina , Dittmar Thorsten , Zielinski Oliver , Kida Morimaru , Asp Nils E. , de Rezende Carlos Eduardo , Schnetger Bernhard , Seidel Michael
Published: January 2024

Mangrove‐fringed estuaries are intertidal ecosystems discharging significant amounts of dissolved organic matter (DOM) into coastal oceans. DOM in these ecosystems is derived from autochthonous production, fluvial input, and mangrove porewater outwelling; however, differentiating between these sources remains challenging. Our incomplete understanding of the biogeochemical factors controlling DOM dynamics and its relationship with nutrient and trace metal cycling still hinders the formulation of elemental budgets in coastal environments. Here, we relate the DOM composition in a mangrove‐fringed estuary in North Brazil (Amazonia) to the redox conditions at the formation sites. We combined molecular DOM analyses via ultrahigh‐resolution mass spectrometry (FT‐ICR‐MS) with parallel factor analysis of excitation–emission fluorescence matrices (EEM‐PARAFAC), nutrient and redox‐sensitive trace metal analyses. During low tide, the influx of oxygen‐depleted porewater carried terrigenous DOM, inorganic nutrients, and trace metals into the mangrove‐fringed creeks. Precipitation of metal(hydr)oxides and microbial turnover controlled nutrient and trace metal dynamics in the estuary. The highest inorganic nitrogen concentrations within the upper mangrove‐fringed estuary indicated outwelling from mangrove sediments as an essential source. Phosphate concentrations were highest within the lower mangrove‐fringed estuary, where available phosphate likely exceeded precipitation with iron(hydr)oxides. We tracked the DOM transport to the coastal ocean using a novel molecular index derived from sulfidic porewater (ISuP). Outwelling of recalcitrant DOM from mangrove habitats is relevant in the context of blue carbon storage. Therefore, applying our molecular proxy (ISuP), together with trace‐metal and optical DOM analyses, is a powerful approach for differentiating contributions of diverse DOM sources in highly complex coastal ecosystems.
Seasonal and daily patterns in known dissolved metabolites in the northwestern Sargasso Sea
Authors: Longnecker Krista , Kido Soule Melissa C. , Swarr Gretchen J. , Parsons Rachel J. , Liu Shuting , Johnson Winifred M. , Widner Brittany , Curry Ruth , Carlson Craig A. , Kujawinski Elizabeth B.
Published: January 2024

Organic carbon in seawater plays a significant role in the global carbon cycle. The concentration and composition of dissolved organic carbon reflect the activity of the biological community and chemical reactions that occur in seawater. From 2016 to 2019, we repeatedly sampled the oligotrophic northwest Sargasso Sea in the vicinity of the Bermuda Atlantic Time‐series Study site (BATS) to quantitatively follow known compounds within the pool of dissolved organic matter in the upper 1000 m of the water column. Most metabolites showed surface enrichment, and 83% of the metabolites had significantly lower concentrations with increasing depth. Dissolved metabolite concentrations most notably revealed temporal variability. Fourteen metabolites displayed seasonality that was repeated in each of the 4 yr sampled. Concentrations of vitamins, including pantothenic acid (vitamin B5) and riboflavin (vitamin B2), increased annually during winter periods when mixed layer depths were deepest. During diel sampling, light‐sensitive riboflavin decreased significantly during daylight hours. The temporal variability in metabolites at BATS was less than the spatial variability in metabolites from a previous sample set collected over a broad latitudinal range in the western Atlantic Ocean. The metabolites examined in this study are all components of central carbon metabolism. By examining these metabolites at finer resolution and in a time‐series, we begin to provide insights into the chemical compounds that may be exchanged by microorganisms in marine systems, data which are fundamental to understanding the chemical response of marine systems to future changes in climate.
Embedding Thiols into Choline Phosphate Polymer Zwitterions
Authors: Snyder Deborah , Emrick Todd
Published: January 2024

The compositional scope of polymer zwitterions has grown significantly in recent years and now offers designer synthetic materials that are broadly applicable across numerous areas, including supracolloidal structures, electronic materials interfaces, and macromolecular therapeutics. Among recent developments in polymer zwitterion syntheses are those that allow insertion of reactive functionality directly into the zwitterionic moiety, yielding new monomer and polymer structures that hold potential for maximizing the impact of zwitterions on the macromolecular materials chemistry field. This manuscript describes the preparation of zwitterionic choline phosphate (CP) methacrylates containing either aromatic or aliphatic thiols embedded directly into the zwitterionic moiety. The polymerization of these functional CP methacrylates by reversible addition‐fragmentation chain‐transfer methodology yields polymeric zwitterionic thiols containing protected thiol functionality in the zwitterionic units. After polymerization, the protected thiols are liberated to yield thiol‐rich polymer zwitterions which serve as precursors to subsequent reactions that produce polymer networks as well as polymer‐protein bioconjugates.
First in‐human evaluation of [1‐13C]pyruvate in D2O for hyperpolarized MRI of the brain: A safety and feasibility study
Authors: Deh Kofi , Zhang Guannan , Park Angela Hijin , Cunningham Charles H. , Bragagnolo Nadia D. , Lyashchenko Serge , Ahmmed Shake , Leftin Avigdor , Coffee Elizabeth , Hricak Hedvig , Miloushev Vesselin , Mayerhoefer Marius , Keshari Kayvan R.
Published: January 2024

Purpose

To investigate the safety and value of hyperpolarized (HP) MRI of [1‐13C]pyruvate in healthy volunteers using deuterium oxide (D2O) as a solvent.

Methods

Healthy volunteers (n = 5), were injected with HP [1‐13C]pyruvate dissolved in D2O and imaged with a metabolite‐specific 3D dual‐echo dynamic EPI sequence at 3T at one site (Site 1). Volunteers were monitored following the procedure to assess safety. Image characteristics, including SNR, were compared to data acquired in a separate cohort using water as a solvent (n = 5) at another site (Site 2). The apparent spin–lattice relaxation time (T1) of [1‐13C]pyruvate was determined both in vitro and in vivo from a mono‐exponential fit to the image intensity at each time point of our dynamic data.

Results

All volunteers completed the study safely and reported no adverse effects. The use of D2O increased the T1 of [1‐13C]pyruvate from 66.5 ± 1.6 s to 92.1 ± 5.1 s in vitro, which resulted in an increase in signal by a factor of 1.46 ± 0.03 at the time of injection (90 s after dissolution). The use of D2O also increased the apparent relaxation time of [1‐13C]pyruvate by a factor of 1.4 ± 0.2 in vivo. After adjusting for inter‐site SNR differences, the use of D2O was shown to increase image SNR by a factor of 2.6 ± 0.2 in humans.

Conclusions

HP [1‐13C]pyruvate in D2O is safe for human imaging and provides an increase in T1 and SNR that may improve image quality.