bluuebunny/crossref_metadata_2025 huggingface dataset:
Ultrasonographic, endoscopic and radiographic examinations of the dromedary mammary glands and teats
Authors: Annika Müller , Wernery Ulrich , Kinne Jörg , Nagy Peter , Juhasz Judit , De Bont Matthew , Booth Claire , Azmanis Panagiotis , Wittek Thomas
Published: May 2024

The aim of the present study was to examine the mammary gland of dromedary camels using ultrasonography, endoscopy and radiography. These techniques are easy to perform in the field and feasible to diagnose pathological conditions of the mammary gland. Udders of 49 slaughtered and 26 adult dromedary camels submitted for necropsy were used for the examinations. Additionally, 11 lactating female dromedary camels were selected for the ultrasonographic udder examination. The transition from the milk ducts into the udder cistern, the teat cistern and the teat canals were examined in individual udders. Teat cistern length, teat end width, teat wall thickness, teat cistern width and middle cistern wall thickness were measured using ultrasonography. The measurements resulted in mean values of the teat cistern length of 37.3 mm, the teat end width of 2.0 mm, the teat wall thickness of 4.4 mm, the teat cistern width of 8.2 mm and the cistern wall thickness of 3.5 mm. The teat wall was differentiated into three layers, a hyperechoic outer layer, a hypoechoic middle layer and a hyperechoic inner layer. The mid cistern wall was hyperechoic. Endoscopic examination is an easy to perform and practicable method for examining the inner structures of the teats of dead animals; however, the feasibility has not been shown in lactating animals yet. Ring-like folds were present in the teat cistern, which protruded horizontally into the lumen. It was also possible to visualize the branchlike transition of the teat cistern into the larger milk ducts. Radiographic examination using barium sulfate contrast medium showed that the teat cistern ends in a network of initially wide but branching and narrowing milk ducts. The two teat canals and cisterns are completely independent of each other and there is no communication between the glandular tissue of the two canals and cisterns.
(A)voiding misdiagnosis: prediction of detrusor underactivity vs. bladder outlet obstruction using pre-urodynamic nomogram in male patients with LUTS
Authors: Garbas Karolina , Zapała Łukasz , Ślusarczyk Aleksander , Piecha Tomasz , Gwara Piotr , Żuk-Łapan Aleksandra , Piekarczyk Hanna , Zapała Piotr , Radziszewski Piotr
Published: May 2024

Purpose

Our study aimed to develop a noninvasive model using a combination of the set of clinical data and uroflowmetry (UFL) to differentiate between detrusor underactivity (DU) and bladder outlet obstruction (BOO) in non-neurogenic male patients with lower urinary tract symptoms (LUTS).

Methods

Data from 229 men with LUTS, diagnosed with DU or BOO on a pressure-flow study (PFS), were retrospectively analyzed, including medical history, Core Lower Urinary Tract Symptoms score (CLSS) questionnaire, UFL and PFS. Uni- and multivariate logistic regression were utilized for the prediction analyses.

Results

Of the cohort, 128 (55.9%) patients were diagnosed with DU. A multivariate logistic regression analysis identified less prevalent nocturia (OR 0.27, p < 0.002), more prevalent intermittency (OR 2.33, p = 0.03), less prevalent weak stream (OR 0.14, p = 0.0004), lower straining points in CLSS (OR 0.67, p = 0.02), higher slow stream points in CLSS (OR 1.81, p = 0.002), higher incomplete emptying points in CLSS (OR 1.31, p < 0.02), lower PVR ratio (OR 0.20, p = 0.03), and present features of fluctuating (OR 2.00, p = 0.05), fluctuating-intermittent (OR 3.09, p < 0.006), and intermittent (OR 8.11, p = 0.076) UFL curve shapes as independent predictors of DU. The above prediction model demonstrated satisfactory accuracy (c-index of 0.783).

Conclusion

Our 10-factor model provides a noninvasive approach to differentiate DU from BOO in male patients with non-neurogenic LUTS, offering a valuable alternative to invasive PFS.
Delirium care in hospitals in Ireland on World Delirium Awareness Day 2023
Authors: Azizi Zahra , O’Regan Niamh , Dukelow Tim , Bohane Teresa , Harkin Eithne , Donnellan Christina , Carroll Ida , Costello Maria , O’Reilly Susan , Noonan Claire , Walsh Erica , Timmons Suzanne
Published: May 2024

Background

Acute, transient, but sometimes persistent, delirium is characterized by a sharp disruption in attention, consciousness, and cognitive function, and can be caused by many medications and disorders. Delirium occurrence and negative consequences, such as falls and functional decline, can be decreased with multifactorial prevention and timely detection.

Aims

To describe current clinical practice in relation to the prevention, assessment, and management of delirium in Irish hospitals; awareness-raising and educational activities; and barriers to good practice.

Methods

On World Delirium Awareness Day (15th March 2023), a global survey was conducted of delirium prevalence and care. A senior clinical staff member on each participating ward reported on delirium prevalence at 8AM and 8PM, and on usual ward practice; this data was entered into an online survey by a data collector (typically a clinician from the site, visiting several wards to record data). This study reports data from Irish hospitals.

Results

In total, 132 wards from 15 hospitals across Ireland participated. Almost 60% of wards used ‘personal judgment’ for delirium assessment. Having at least one delirium training session in the preceding year was associated with greater use of a formal assessment tool (60.3% versus 18.8%; p < 0.001). Wards reported staff training/education as the main priority to improve care, but 72.7% of wards identified insufficient time to train staff as a key barrier.

Conclusions

Clinical practice related to delirium care requires improvement. Awareness raising and staff training require more focus and time in busy clinical settings.
Discharged from the emergency department following hospital-presented self-harm: referral patterns and risk of repeated self-harm
Authors: Cully Grace , Russell Vincent , Joyce Mary , Corcoran Paul , Daly Caroline , Griffin Eve
Published: May 2024

Background

Presentation to the emergency department (ED) with self-harm provides an important opportunity for intervention.

Aims

To investigate characteristics and self-harm repetition risk of those discharged from the ED without a referral for mental health–related aftercare.

Method

Data on consecutive self-harm presentations to EDs for the years 2013–2019 (n = 55,770) were obtained from the National Self-Harm Registry Ireland. Multilevel Poisson and Cox regression models were estimated.

Results

Half of the self-harm presenters were discharged from the ED (49.8%) and almost half of them did not receive a mental health–related referral (46.8%). Receipt of a psychosocial assessment was associated with a 50% reduced risk of non-referral (IRR 0.54; 95% CI 0.51–0.57). Non-referral was also less likely for young people (< 18 years), presentations involving attempted hanging, persons with previous self-harm presentations, and in the latter half of the study period (2017–2019 vs. 2013–2016), but was more likely for those brought by ambulance, presenting outside 9 am–5 pm and admitted to an ED medical assessment unit. Of those not referred, 19.3% had a repeat presentation within 12 months, compared to 22.4% of those referred. No difference in repetition risk between these two groups was evident in adjusted analyses. Self-harm history had the strongest association with repetition, with highest risk among individuals with four or more previous presentations (HR 9.30, 95% CI 8.14–10.62).

Conclusions

The findings underline the importance of assessing all individuals who present with self-harm and highlight the need for comprehensively resourced 24hr services providing mental health care in the ED.
Herausforderungen der Mobilitätsförderung in Pflegeeinrichtungen
Authors: Otto Ann-Kathrin , Saß Eileen , Vogel Oliver , Wollesen Bettina
Published: May 2024

Hintergrund

Die Mobilitätsförderung von Personen mit Pflegebedarf nimmt aufgrund der präventiven und kurativen Effekte in Pflegeeinrichtungen einen hohen Stellenwert ein. Ziel dieser Studie ist es, den Umfang der Förderung von Mobilität in deutschen Pflegeeinrichtungen und die Auswirkungen der COVID-19-Pandemie aufzuzeigen. Darüber hinaus wird der Einfluss der Anzahl der Pflegeplätze (AP) sowie die Höhe des monatlichen Eigenanteils (EA) in die Untersuchung integriert.

Methodik

In der zweistufigen explorativen Studie wurden Einrichtungs- und Pflegedienstleitungen (N = 16) via Telefoninterviews zur Mobilität der Bewohnenden zur Zeit der COVID-19-Pandemie befragt. Es erfolgte eine qualitative Inhaltsanalyse sowie eine Quantifizierung der Aussagen mit anschließender Pearson-Korrelationsanalyse.

Ergebnisse

Die Förderung von Mobilität erfolgte in den Einrichtungen am häufigsten durch das Pflegepersonal oder externe Gesundheitsdienstleister in Form von Bewegungsangeboten. Die Mobilitätsförderung steigt mit der AP (r = 0,502; p = 0,057) sowie dem EA (r = 0,788; p < 0,001). Die Mobilitätsförderung aller befragten Einrichtungen reduzierte sich während der COVID-19-Pandemie durch z. B. Isolation und Angst. Die qualitative Analyse zeigte, dass die Förderung von Mobilität in den Einrichtungen am häufigsten durch das Pflegepersonal oder externe Physiotherapeut*innen in Form von Bewegungsangeboten erfolgte.

Diskussion

Der Fachkräftemangel, fehlende Finanzierungsmöglichkeiten sowie eine andere Prioritätensetzung könnten in Einrichtungen mit geringer AP oder EA Hindernisse zur Mobilitätsförderung darstellen. Einflüsse der COVID-19-Pandemie führten z. B. zur Isolation und verhinderten bei allen Einrichtungen die Durchführung von Mobilitätsmaßnahmen. Digitale Angebote, Leitlinien zur Gestaltung mobilitätsfördernder Maßnahmen zu Pandemiezeiten sowie politische Maßnahmen zur Reduktion des Fachkräftemangels könnten zentrale Lösungsansätze sein.
Investigation of the pathogen-specific antibody response in periprosthetic joint infection
Authors: Janz Viktor , Rakow Anastasia , Schröder Leonie , Hofer André , Wiebe Sergej , Schoon Janosch , Weiss Stefan , Bröker Barbara M. , Wassilew Georgi I. , Raafat Dina
Published: May 2024

Purpose

Periprosthetic joint infections (PJIs) are a very demanding complication of arthroplasty. Diagnosis of PJI and pathogen identification pose considerable challenges in clinical practice. We hypothesized that the pathogen-specific immune response to PJI reflects the infection process, provides clinically relevant information on disease course, and has the potential to further optimize antimicrobial therapy.

Methods

We conducted a prospective matched cohort pilot study with 13 patients undergoing two-stage septic revision arthroplasty (PJI patients) between 06/2020 and 06/2021, as well as 11 control patients undergoing one-stage aseptic revision arthroplasty (Non-PJI patients). Pre-, intra- and postoperative serum samples were collected at standardized time points. We developed a custom Luminex®-based quantitative bead-based suspension array (Infection Array; IA), and used it for simultaneous measurement of antibody specificities against 32 pathogens commonly associated with PJI in 267 serum samples.

Results

The IA was able to trace the dynamics of the pathogen-specific humoral immune response in all patients against PJI-related pathogens, prominently coagulase-negative staphylococci and streptococci. Pathogen-specific serum antibody titers declined in 62% of PJI patients over the course of treatment, while no changes in antibody titers were observed in 82% of Non-PJI patients during this study. Our serological data strongly suggested that antibody signatures reflect an immune response to microbial invasion.

Conclusion

Our results provide insights into the pathophysiology of PJI and information on the individual disease courses. The IA is therefore a promising and novel serological tool of high resolution for monitoring the immunoproteomic footprints of infectious pathogens in the course of PJI.
Kerala, 1956 to the Present
Authors: Roy Tirthankar , Raman K. Ravi
Published: May 2024

'Kerala is different, but not in the way we think.' Economic change in this southern state has fascinated economists. Most studies focused on the state's unusual human development, asked how a poor and economically stagnant state could achieve high levels of education and healthcare and pointed to politics and government policy to answer the question. Little of that scholarship took history seriously. History, this book says, shows that the foundations of human development were laid before the formation of the state and were owed to many factors besides politics. The striking thing about the state is its unusual income growth, which has been faster than most states since the 1990s. The question the authors ask is, 'How could an income-poor state break out of stagnation so dramatically?' The answers consider past globalisation, labour mobility, a legacy of welfare spending, and the positive ways these features interacted since India's economic reforms.
Efficient enhancement of turbulent entrainment by small-scale shear instability
Authors: Watanabe Tomoaki
Published: May 2024

Turbulent entrainment is a process by which a locally turbulent region draws in an outer irrotational fluid. A large number of small-scale vortices and shear layers exist near the turbulent/non-turbulent interface; these features influence the local entrainment process. Direct numerical simulations of a turbulent front evolving into a quiescent flow without mean shear show that the entrainment rate is amplified by triggering the instability of small-scale shear layers via weak perturbations with a wavelength matching that of the unstable mode of the shear layers. Imposing artificial perturbations with a length scale approximately 30 times the Kolmogorov scale leads to the rapid collapse of small-scale shear layers due to instability, generating vortices near the turbulent/non-turbulent interface. Amplification of the entrainment rate is linked to the enlarged area and increased propagation velocity of the interface. The impact of perturbations on the entrainment rate becomes most pronounced when the flow evolves over approximately 7 times the Kolmogorov time scale, after which their influence diminishes over time. Additionally, the increase in entrainment rate is dictated by the ratio of the perturbation amplitude to the Kolmogorov velocity scale. The entrainment enhancement process is governed by Kolmogorov scales, suggesting that even weak perturbations can amplify the entrainment rate in high Reynolds number flows.
A Light in Dark Places: Later Prehistoric Mortuary Activity in Caves in Scotland and Northern England
Authors: HUME BEN , ARMIT IAN
Published: May 2024

Humans have utilised caves for funerary activities for millennia and their unique preservational conditions provide a wealth of evidence for treatments of the dead. This paper examines the evidence for funerary practices in the caves of Scotland and northern England from the Bronze Age to the Roman Iron Age (c. 2200 bc–ad 400) in the context of later prehistoric funerary ritual. Results suggest significant levels of perimortem trauma on human skeletal remains from caves relative to those from non-cave sites. We also observe a recurrent pattern of deposition involving inhumation of neonates in contrast to excarnation of older individuals.
APPLICATIONS OF FUNCTIONAL DEPENDENCE TO SPATIAL ECONOMETRICS
Authors: Wu Zeqi , Jiang Wen , Xu Xingbai
Published: May 2024

In this paper, we generalize the concept of functional dependence (FD) from time series (see Wu [2005, Proceedings of the National Academy of Sciences 102, 14150–14154]) and stationary random fields (see El Machkouri, Volný, and Wu [2013, Stochastic Processes and Their Applications 123, 1–14]) to nonstationary spatial processes. Within conventional settings in spatial econometrics, we define the concept of spatial FD measure and establish a moment inequality, an exponential inequality, a Nagaev-type inequality, a law of large numbers, and a central limit theorem. We show that the dependent variables generated by some common spatial econometric models, including spatial autoregressive (SAR) models, threshold SAR models, and spatial panel data models, are functionally dependent under regular conditions. Furthermore, we investigate the properties of FD measures under various transformations, which are useful in applications. Moreover, we compare spatial FD with the spatial mixing and spatial near-epoch dependence proposed in Jenish and Prucha ([2009, Journal of Econometrics 150, 86–98], [2012, Journal of Econometrics 170, 178–190]), and we illustrate its advantages.
The influences of Thai divination on Cambodian fortune-telling practice
Authors: Jiaviriyaboonya Poonnatree
Published: May 2024

The Khmer Rouge period had a hugely negative impact on the knowledge and practices of Khmer divination. At present, Khmer divination and astrology has been revitalized with many forms of it being embedded in people’s everyday lives in both rural and urban settings, such as in the capital Phnom Penh. With the re-emergence of numerological fortune-telling, Khmer practitioners are now turning to Thai numerological books, such as ‘Patithin Neung Roi Pee (100-year calendar)’, ‘Tamra Phromachati’, and ‘Tamra Plu Luang’ to supplement the diminished body of traditional Khmer knowledge that survived the war. This paper aims to explore how Cambodia divinatory and astrologicalauthority have been revitalized and reinvented through that of their Thai counterparts within the flows of globalization and modernity.
Effectiveness of couple education and counseling on uptake of cervical cancer screening among women in Southern Ethiopia: a cluster randomized trial
Authors: Ayanto Samuel Yohannes , Belachew Tefera , Wordofa Muluemebet Abera
Published: May 2024

Cervical cancer is a major public health problem worldwide. Women die of the disease due to low early screening practices and its detection at advanced stages particularly in developing countries. Therefore, this study aimed to determine the effectiveness of couple education and counseling on the uptake of cervical screening among women. The study employed random allocation of 16 clusters into two study arms. A total of 288 women participated in the study. Structured home-based education and counseling were provided to the intervention group, while the control group received standard of care. Surveys were completed at baseline and end line. This study demonstrated that the proportion of women who had been aware of cervical cancer and screening grew from 22.9 to 100%, participants’ mean knowledge scores showed improvement from 3.18 to 11.99, and cervical screening uptake increased from 2.1% to 72.5% in the intervention group (p < 0.001). Also, the difference in differences of screening uptake between the study groups was statistically significant (p = 0.021).The study shows the effectiveness of the intervention package in improving the uptake of cervical screening in the study setting. Therefore, we recommend that creating awareness, increasing knowledge, and improving women’s perceptions through structured home-based couple education and counseling is important to improve cervical screening uptake among the target women.
Proteomic analysis of pleomorphic dermal sarcoma reveals a fibroblastic cell of origin and distinct immune evasion mechanisms
Authors: Klein Sebastian , Tolkach Yuri , Reinhardt Hans Christian , Buettner Reinhard , Quaas Alexander , Helbig Doris
Published: May 2024

Pleomorphic dermal sarcomas are infrequent neoplastic skin tumors, manifesting in regions of the skin exposed to ultraviolet radiation. Diagnosing the entity can be challenging and therapeutic options are limited. We analyzed 20 samples of normal healthy skin tissue (SNT), 27 malignant melanomas (MM), 20 cutaneous squamous cell carcinomas (cSCC), and 24 pleomorphic dermal sarcomas (PDS) using mass spectrometry. We explored a potential cell of origin in PDS and validated our findings using publicly available single-cell sequencing data. By correlating tumor purity (TP), inferred by both RNA- and DNA-sequencing, to protein abundance, we found that fibroblasts shared most of the proteins correlating to TP. This observation could also be made using publicly available SNT single cell sequencing data. Moreover, we studied relevant pathways of receptor/ligand (R/L) interactions. Analysis of R/L interactions revealed distinct pathways in cSCC, MM and PDS, with a prominent role of PDGFRB-PDGFD R/L interactions and upregulation of PI3K/AKT signaling pathway. By studying differentially expressed proteins between cSCC and PDS, markers such as MAP1B could differentiate between these two entities. To this end, we studied proteins associated with immunosuppression in PDS, uncovering that immunologically cold PDS cases shared a “negative regulation of interferon-gamma signaling” according to overrepresentation analysis.
Unveiling the dynamic and thermodynamic interactions of hydrocortisone with β-cyclodextrin and its methylated derivatives through insights from molecular dynamics simulations
Authors: Gholami Roya , Azizi Khaled , Ganjali Koli Mokhtar
Published: May 2024

Cyclodextrins (CDs) can enhance the stability and bioavailability of pharmaceutical compounds by encapsulating them within their cavities. This study utilized molecular dynamics simulations to investigate the interaction mechanisms between hydrocortisone (HC) and various methylated CD derivatives. The results reveal that the loading of HC into CD cavities follows different mechanisms depending on the degree and position of methylation. Loading into βCD and 6-MeβCD was more complete, with the hydroxyl groups of HC facing the primary hydroxyl rim (PHR) and the ketone side facing the secondary hydroxyl rim (SHR). In contrast, 2,3-D-MeβCD and 2,6-D-MeβCD showed a different loading mechanism, with the ketone side facing the PHR and the hydroxyl groups facing the SHR. The root mean square fluctuation (RMSF) analysis demonstrated that methylation increases the flexibility of CD heavy atoms, with 3-MeβCD and 2,3-D-MeβCD exhibiting the highest flexibility. However, upon inclusion of HC, 3-MeβCD, 2,3-D-MeβCD, 2-MeβCD, and 6-MeβCD showed a significant reduction in flexibility, suggesting a more rigid structure that effectively retains HC within their cavities. The radial distribution function revealed a significant reduction in the number of water molecules within the innermost layer of the methylated CD cavities, particularly in TMeβCD, indicating a decrease in polarity. The presence of HC led to the release of high-energy water molecules, creating more favorable conditions for HC loading. Conformational analysis showed that methylation caused a partial decrease in the area of the PHR, a significant decrease in the area of the middle rim, and a notable decrease in the area of the SHR. The loading of HC increased the area of the PHR in most derivatives, with the most pronounced increase observed in 2,6-D-MeβCD and 6-MeβCD. The analysis of interaction energies and binding free energies demonstrated that the binding of HC to methylated CD derivatives is thermodynamically more favorable than to βCD, with the strongest association observed for 6-MeβCD, 2-MeβCD, and 2,3-D-MeβCD.
An interpretable online prediction method for remaining useful life of lithium-ion batteries
Authors: Li Zuxin , Shen Shengyu , Ye Yifu , Cai Zhiduan , Zhen Aigang
Published: May 2024

Accurate prediction of the remaining useful life (RUL) of lithium-ion batteries is advantageous for maintaining the stability of electrical systems. In this paper, an interpretable online method which can reflect capacity regeneration is proposed to accurately estimate the RUL. Firstly, four health indicators (HIs) are extracted from the charging and discharging process for online prediction. Then, the HIs model is trained using support vector regression to obtain future features. And the capacity model of Gaussian process regression (GPR) is trained and analyzed by Shapley additive explanation (SHAP). Meanwhile, the state space for capacity prediction is constructed with the addition of Gaussian non-white noise to simulate the capacity regeneration. And the modified predicted HIs and noise are obtained by unscented Kalman filter. Finally, according to SHAP explainer, the predicted HIs acting as the baseline and the modified HIs containing information on capacity regeneration are chosen to predict RUL. In addition, the bounds of confidence intervals (CIs) are calculated separately to reflect the regenerated capacity. The experimental results demonstrate that the proposed online method can achieve high accuracy and effectively capture the capacity regeneration. The absolute error of failure RUL is below 5 and the minimum confidence interval is only 2.
Association between voriconazole-induced visual hallucination and dopamine in an analysis of the food and drug administration (FDA) adverse event reporting system database
Authors: Kato Hideo , Shiraishi Chihiro , Hagihara Mao , Mikamo Hiroshige , Iwamoto Takuya
Published: May 2024

Voriconazole is a second-generation azole used to treat serious fungal infections. Visual hallucinations constitute a representative adverse event caused by voriconazole. However, its mechanism of action remains unclear. In patients with schizophrenia or Parkinson’s disease, the frequency of visual hallucinations is associated with brain dopamine levels. This study investigated the frequency of visual hallucinations in patients treated with voriconazole alone or in combination with dopaminergic medicines or dopamine antagonists, using data collected from the Food and Drug Administration Adverse event Reporting System (FAERS). The frequency of visual hallucinations with voriconazole alone and in combination with a dopaminergic medicine (levodopa) or dopamine antagonists (risperidone and chlorpromazine) was compared using data from the FAERS between 2004 and 2023, using the reporting odds ratio (ROR) with relevant 95% confidence intervals (CI). The reference group comprised patients who had been administered voriconazole without dopaminergic medication or dopamine antagonists. Of the patients, 22,839, 90,810, 109,757, 6,435, 20, 83, and 26, respectively were treated with voriconazole, levodopa, risperidone, chlorpromazine, voriconazole plus levodopa, voriconazole plus risperidone, and voriconazole plus chlorpromazine. The occurrence of visual hallucinations increased when used in combination with levodopa (ROR = 12.302, 95% CI = 3.587–42.183). No increase in incidence was associated with the concomitant use of dopamine antagonists (risperidone, ROR = 1.721, 95% CI = 0.421–7.030; chlorpromazine, ROR = none, 95% CI = none). Dopaminergic medicine may increase the risk of visual hallucinations in patients treated with voriconazole. Whether voriconazole positively modulates dopamine production warrants further investigation using a translational research approach.
Role of CSF1R 550th-tryptophan in kusunokinin and CSF1R inhibitor binding and ligand-induced structural effect
Authors: Chompunud Na Ayudhya Chompunud , Graidist Potchanapond , Tipmanee Varomyalin
Published: May 2024

Binding affinity is an important factor in drug design to improve drug-target selectivity and specificity. In this study, in silico techniques based on molecular docking followed by molecular dynamics (MD) simulations were utilized to identify the key residue(s) for CSF1R binding affinity among 14 pan-tyrosine kinase inhibitors and 15 CSF1R-specific inhibitors. We found tryptophan at position 550 (W550) on the CSF1R binding site interacted with the inhibitors' aromatic ring in a π–π way that made the ligands better at binding. Upon W550-Alanine substitution (W550A), the binding affinity of trans-(−)-kusunokinin and imatinib to CSF1R was significantly decreased. However, in terms of structural features, W550 did not significantly affect overall CSF1R structure, but provided destabilizing effect upon mutation. The W550A also did not either cause ligand to change its binding site or conformational changes due to ligand binding. As a result of our findings, the π–π interaction with W550's aromatic ring could be still the choice for increasing binding affinity to CSF1R. Nevertheless, our study showed that the increasing binding to W550 of the design ligand may not ensure CSF1R specificity and inhibition since W550-ligand bound state did not induce significantly conformational change into inactive state.
Safe and sustainable chemicals and materials: a review of sustainability assessment frameworks
Authors: Caldeira Carla , Abbate Elisabetta , Moretti Christian , Mancini Lucia , Sala Serenella
Published: May 2024

Indicators and methods for safe and sustainable by design chemicals and materials.
Out-of-focus spatial map imaging of magnetically deflected sodium ammonia clusters
Authors: Borgeaud dit Avocat D. P. , Yang H. , Nitsche A. , Wenger J. , Yoder B. L. , Signorell R.
Published: May 2024

This paper introduces out-of-focus spatial map imaging (SMI) as a detection method for magnetic deflection of molecular/cluster beams, using Nam(NH3)n to illustrate its capabilities.
Emergence of exotic electronic and magnetic phases upon electron filling in Na2BO3 (B = Ta, Ir, Pt, and Tl): a first-principles study
Authors: Yadav Priyanka , Sarkar Sumit , Phase Deodatta Moreshwar , Raghunathan Rajamani
Published: May 2024

Competition between spin–orbit interaction and electron correlation can stabilize a variety of non-trivial electronic and magnetic ground states.
The aromatic nature of auracycles and diauracycles based on calculated ring-current strengths
Authors: Blasco Daniel , Sundholm Dage
Published: May 2024

Gold metallacycles can sustain strong magnetically induced ring currents and thus exhibit aromaticity or antiaromaticity depending on the number of π electrons in the cycle.
Green synthesis of nitrogen and sulphur-doped carbon quantum dots for dual sensing of brilliant green dye and Cu2+ ions in environmental samples
Authors: Rishabh  , Rani Manviri , Shanker Uma
Published: May 2024

Nitrogen and sulfur-doped carbon quantum dots (N,S-CQDs) were successfully synthesized utilizing Aegle Marmelos as an environmentally friendly precursor via an innovative method.
Hot off the Press
Authors: Hill Robert A. , Sutherland Andrew
Published: May 2024

A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products, such as penihemeroterpenoid A from Penicillium herquei.
Interactions between Crop and Microalgae in Nutrient Utilization in Crop-microalgae Co-culture
Authors: Xiao Pengfei
Published: May 2024

In order to conserve agricultural land and make the best use of environmental resources, scientists have developed hydroponic systems for growing crops and vegetables. At the same time, it has been found that microalgae and crops can interact on the basis of hydroponic systems. However, research on the nutrient utilization aspect of it is still very limited. In this paper, we investigate the nutrient utilization of crops and algae in a co-culture system, thereby contributing to the improvement of crop yields. Nutrient utilization in co-culture systems includes nutrient competition between crops and microalgae, the effect of CO2 produced by crop roots on microalgae, the promotion of nutrient uptake by microalgae in crops and the stimulation of root growth, and the change in system pH induced by nutrient uptake in crops and microalgae. By analyzing these aspects, it plays a key role for both algae and crops to achieve higher yields and good growth conditions in the co-culture system.
Improved Immunohistochemistry Active Cell Counting Method for YOLOv5s
Authors: Chen Xingyue , Jia Ziyan , Li Qing , Zhang Dachuan , Pan Lingjiao , Shen Dawei
Published: May 2024

This article proposes an improved YOLOv5s counting method to address the problems of long-term manual counting of positive cells in immunohistochemical images and low consistency. First, by introducing the Triplet attention module, the model focuses on the positive cell area, reducing background interference and improving the network's ability to extract positive cell features; then, a small target detection layer is added to better utilize the semantic information of the network to improve positive cells. recognition accuracy; then, the lightweight up-sampling operator CARAFE is used to improve the quality and accuracy of up-sampling; finally, the WIoU loss function is used to replace the original GIoU of YOLOv5 to enhance model detection performance. Experimental results show that the improved model has an average accuracy of 88.4%, which is 3.1% higher than the original YOLOv5 network model. It can count positive cells quickly and accurately, reducing the workload of doctors.
Optimized Staining Methods of Intracellular Calcium for RAW264.7 Cells
Authors: Zhang Jingzhi , Yang Ailing , Gao Yan , Huo Bo
Published: May 2024

Monitoring intracellular calcium ion levels accurately and efficiently is crucial for gaining a profound understanding of cellular functionality. Inappropriate staining conditions may result in deviations in fluorescent signals, which affects the accuracy and repeatability of experimental outcomes. To measure the concentrations change of Ca2+ accurately, immunofluorescent staining of intracellular calcium is an essential process. In order to solve the previous dyeing problem of our research group, we designed and performed an experimental scheme. The results indicated that a staining duration of 30 minutes with a dye concentration at a 1/1000 dilution ratio consistently yielded the most reliable and stable staining outcomes. The results of this study have established the foundation of the future experiments and may be further helpful to provide a valuable foundation for the development of therapeutic strategies targeting bone diseases.
In Silico Dock of TKIs with CYP3A4 and CYP2C8 and Pharmacophore Generation
Authors: Ma Zhenya
Published: May 2024

Tyrosine kinase inhibitors (TKIs) serve as targeted anticancer drugs that inhibit the abnormal activity of tyrosine kinase (TK) in cancer treatment. However, when used with other medications, they often result in side effects, such as renal impairment, hepatic injury, and even mortality. This adverse clinical effect is known as drug-drug interactions (DDIs). As two major drug-related metabolic enzymes, CYP3A4 and CYP2C8 play pivotal roles in the metabolism of TKIs. To mitigate the DDIs associated with TKIs and to further develop from a clinical perspective, the interactions between TKIs and CYPs have been investigated. In this study, through docking simulations, 19 distinct TKIs were found to interact with CYP3A4, and three types of TKIs were also docked with CYP2C8. The results revealed that hydrophobic interaction and hydrogen bonds played a pivotal role in binding interaction when TKI molecules engaged with their target CYPs. Among all interacting amino acids, GLU374 and ARG105 emerged as the most critical residues for forming both hydrophobic interactions and hydrogen bonds. Afatinib, brigatinib, and nilotinib, the three TKIs docked with CYP3A4 and CYP2C8, exhibited more muscular interaction energy with CYP2C8 than with CYP3A4. The generation of common feature pharmacophores represents the unique characteristics present in each TKI. This study's findings could potentially aid medical chemists in designing and developing the next generation of TKIs while mitigating potential side effects and drug-drug interactions.
Spontaneous pneumothorax risk factor mapping: A Mendelian randomization study
Authors: Wang Dian , Li Yongxin , Jiang Man
Published: May 2024

Objective: To investigate the causal relationship between risk factors and spontaneous pneumothorax using Mendelian randomization. Methods: Risk factors for spontaneous pneumothorax were identified through searches of English and Chinese databases. Single nucleotide polymorphism information was extracted from the GWAS database, with risk factor as exposure and spontaneous pneumothorax as outcome, and five methods, namely, inverse variance weighting, MR-Egger, weighted median, simple model and weighted model, were used to evaluate the causality between risk factors and spontaneous pneumothorax. Heterogeneity and leave-one-out tests were used for sensitivity analysis to evaluate the robustness of the causal relationship. Results: The search yielded 117 risk factors, and 50 risk factors for which genetic data were available were included. Height, COVID, lymphocytes, standing tall, snoring, exertion lung volume, squamous lung cancer, first second expiratory volume with exertion, and asthma were positively associated with SP, and hip circumference and exertion lung volume were negatively associated with SP. Chronic obstructive pulmonary disease and diaphragmatic hernia may be associated with SP. Conclusion: This study identified significant causal relationship between lymphocyte count, standing tall, asthma and spontaneous pneumothorax from genetic point of view, and provided basis for its prevention and treatment.
The mechanism of Grifola polysaccharide inhibiting hepatocellular carcinoma cells
Authors: Zhang Jiayi , Feng Jing , Huang Yumin , Xu Bing
Published: May 2024

Objective: To observe the effects of Grifola frondosa polysaccharides (GFP) on proliferation, apoptosis, cell cycle, expression of cyclin and apoptotic proteins of human hepatocellular carcinoma HepG2 cells, and to explore the mechanism of its inhibition on proliferation of HepG2 cells. Methods: The experiment was divided into control group and PGF group. Different concentrations of PGF solution were used to interfere with human hepatocellular carcinoma cells HepG2 in vitro. MTT assay was used to detect the effects of different concentrations of PGF on the survival of HepG2 cells. The apoptosis rate and cell cycle distribution of HepG2 cells induced by PGF were detected by flow cytometry. The expressions of Bcl-2, Bax and Caspase3, Cyclin-A1 and Cyclin-B1 were detected by immunohistochemistry. Results: Compared with the control group, PGF could effectively inhibit the proliferation of human hepatoma HepG2 in a concentration-dependent manner. Cell cycle detection showed that the proportion of S phase in each group was 24.71%, 28.78%, 36.26 and 42.39%, respectively, indicating that cells were blocked in S phase. The immunocytochemical results showed that the expression of Cyclin A1 protein decreased significantly, and the expression of cyclin-B1 was not significantly different before and after treatment. Flow cytometry showed that the apoptosis rates in control group and PGF group were 0, 18.0%, 30.5% and 49.5%, respectively. The difference between PGF group and control group was significant. Immunocytochemical results showed that PGF could significantly inhibit the expression of mitochondrial apoptosis inhibitor Bcl-2, increase the expression of pro-apoptotic factor Bax in a concentration-dependent manner, and up-regulate the percentage of Bcl-2/Bax to induce apoptosis of hepatocellular carcinoma cells. Conclusion: PGF can inhibit the proliferation of human hepatoma HepG2 cells by inducing apoptosis, inhibiting cell cycle arrest and expression of related cyclin and apoptotic proteins.
Brain Tumor Image Segmentation Method Based on Multi-scale and Attention
Authors: Wang Bowen
Published: May 2024

Brain tumor, as a high-risk disease of the brain, has been a threat to human life and health. In order to help doctors diagnose some parts of brain tumor accurately in hospitals, multi-scale fusion brain tumor image segmentation network has shown strong feature extraction ability and image segmentation accuracy improvement. In the original Unet network, only the feature information of the current layer is used in the jump connection layer, and the relevant feature information of the shallow network is ignored, so the segmentation accuracy will be affected accordingly. We use an improved segmentation network to solve this problem. Firstly, the multi-scale feature fusion module MFF is added to the encoder to fuse the features of different scales to improve the segmentation ability of the network. Secondly, the attention module ResCBAM is added to the jump connection layer of the encoder and decoder to guide the encoder to adaptively learn the important feature information in the jump connection. The BraTS2020 dataset in MICCAI competition was used for ablation experiments and contrast experiments, and Dice coefficient and HD95 were used as evaluation indicators. Through the experimental results, it can be seen that the improved network can extract more features in the whole tumor, tumor core and enhanced tumor region, and the segmentation effect of brain tumors is good. At the same time, the model parameters and the number of iterations are reduced.
D’où vient mon cancer ?
Authors: Jordan Bertrand
Published: May 2024

Two interesting papers explore the beliefs of individuals (general population, or cancer survivors) on the causes of cancer. They reveal a huge discrepancy between scientifically proven factors and spontaneous opinions, that consider “stress” as the major cause of cancer. This is understandable in terms of psychological needs, and must be taken into account in cancer information campaigns.
Breakdown characteristics analysis of kV-class vertical GaN PIN rectifiers by wafer-level sub-bandgap photoluminescence mapping
Authors: Xu Zhiyu , Daeumer Matthias A. , Cho Minkyu , Yoo Jae-Hyuck , Detchprohm Theeradetch , Bakhtiary-Noodeh Marzieh , Shao Qinghui , Laurence Ted A. , Key Daryl , Letts Edward , Hashimoto Tadao , Dupuis Russell D. , Shen Shyh-Chiang
Published: May 2024

This work reports analysis of the reverse-bias breakdown characteristics of homojunction gallium nitride (GaN) p–i–n (PIN) rectifiers fabricated on bulk GaN substrates. Sub-bandgap photoluminescence mapping at room temperature as a contactless, non-destructive wafer inspection method was performed to analyze the impact of material properties on grown GaN PIN diodes and to study the correlation between defect types and breakdown characteristics of vertical GaN PIN rectifiers. Under the sub-bandgap excitation, yellow luminescence is dominant. The premature breakdown characteristics of the fabricated kV-class vertical GaN PIN rectifiers with nitrogen-implanted floating guard rings are found to be associated with material defects and deep level complexes. Photoluminescence mapping has demonstrated its effectiveness in quantitative analysis of dislocations and other types of defects.
γδ T cells: The first line of defense for neonates
Authors: Gray Joshua I. , Farber Donna L.
Published: May 2024

A distinct CD83-expressing subset of γδ T cells are enriched in preterm infants with sepsis, providing insights into their functional maturation dynamics in settings of homeostasis and disease (León-Lara et al. https://doi.org/10.1084/jem.20231987).
Photon Induced Scintillation Amplifier — The PISA concept
Authors: Monteiro C.M.B. , Mano R.D.P. , Roque R.J.C. , Neves J.P.G.
Published: May 2024

Photoelectron signal amplification in gas photomultipliers (GPMs) is achieved through
charge avalanche development in the holes of a cascade of hole-type microperforated foils. When a
voltage difference is applied between the metal film electrodes that are deposited on both
surfaces of those foils, an electric field with a high intensity is established inside the
holes. As a consequence, each electron entering those holes produces an electron avalanche that
emerges from the other side of the holes. A cascade of few foils is necessary for a single primary
electron to produce a final avalanche intense enough to be read out, in the anode electrode, above
the electronic noise. We propose the Photon Induced Scintillation Amplifier (PISA), where the
photoelectron signal amplification is obtained by reading out the photon scintillation produced in
the charge avalanches of solely one Micro-Hole-and-Strip-Plate-type microstructure with SiPMs. The
optical readout has the advantage of having the extra gain from the photosensor and is less
sensitive to electronic noise. A large photosensor gain produces large output signals that can
travel over long distances without significant degradation. This allows for the readout
electronics to be placed away from the photosensor and, thus, from the detector sensitive
volume. The scintillation readout plane can be made of a 2D-array of SiPMs, with size and pitch in
accordance with the needed scintillation level and position resolution. A first basic prototype
was assembled to present a proof-of-principle of the PISA concept.
Evaluating the contribution of methanotrophy kinetics to uncertainty in the soil methane sink
Authors: Dion-Kirschner Hannah , Nguyen Newton H , Frankenberg Christian , Fischer Woodward W
Published: May 2024

The oxidation of atmospheric methane by soil microbes is an important natural sink for a potent greenhouse gas. However, estimates of the current and future soil methane sink are highly uncertain. Here we assessed the extent to which methanotrophy enzyme kinetics contribute to uncertainty in projections of the soil methane sink. We generated a comprehensive compilation of methanotrophy kinetic data from modern environments and assessed the patterns in kinetic parameters present in natural samples. Our compiled data enabled us to quantify the global soil methane sink through two idealized calculations comparing first-order and Michaelis–Menten models of kinetics. We show that these two kinetic models diverge only under high atmospheric CH4 scenarios, where first-order rate constants slightly overestimate the soil methane sink size, but produce similar predictions at modern atmospheric concentrations. Our compilation also shows that the kinetics of methanotrophy in natural soil samples is highly variable—both the V
max (oxidation rate at saturation) and KM
(half-saturation constant) in natural samples span over six orders of magnitude. However, accounting for the correlation we observe between V
max and KM
reduces the range of calculated uptake rates by as much as 96%. Additionally, our results indicate that variation in enzyme kinetics introduces a similar magnitude of variation in the calculated soil methane sink as temperature sensitivity. Systematic sampling of methanotroph kinetic parameters at multiple spatial scales should therefore be a key objective for closing the budget on the global soil methane sink.
Biochar as a carbon dioxide removal strategy in integrated long-run mitigation scenarios
Authors: Bergero Candelaria , Wise Marshall , Lamers Patrick , Wang Yong , Weber Maridee
Published: May 2024

Limiting global warming to under 2 °C would require stringent mitigation and likely additional carbon dioxide removal (CDR) to compensate for otherwise unabated emissions. Because of its technology readiness, relatively low cost, and potential co-benefits, the application of biochar to soils could be an effective CDR strategy. We use the Global Change Analysis Model, a global multisector model, to analyze biochar deployment in the context of energy system uses of biomass with CDR under different carbon price trajectories. We find that biochar can create an annual sink of up to 2.8 GtCO2 per year, reducing global mean temperature increases by an additional 0.5%–1.8% across scenarios by 2100 for a given carbon price path. In our scenarios, biochar’s deployment is dependent on potential crop yield gains and application rates, and the competition for resources with other CDR measures. We find that biochar can serve as a competitive CDR strategy, especially at lower carbon prices when bioenergy with carbon capture and storage is not yet economical.