bluuebunny/crossref_metadata_2025 huggingface dataset:
Factores epidemiológico-obstétricos de riesgo para óbito fetal en gestantes atendidas en el Hospital San José del Callao. 2015-2019
Authors:   , Burga Ambulódigue Milagros del Pilar
Published: January 2023

Introducción: La ocurrencia de óbito fetal en salud pública es uno de los inconvenientes más importantes de la sociedad contemporánea, el cual incrementa con ciertas características propias de la gestante o por circunstancias ocurridas durante el periodo gestacional. Objetivo: Determinar los factores epidemiológico-obstétricos de riesgo para óbito fetal en gestantes atendidas en el Hospital San José del Callao. 2015-2019. Materiales y métodos: Observacional, retrospectivo de casos y controles, cuya muestra consistió de 278 gestantes, las cuales 93 tuvieron óbito fetal (casos) y 185 gestantes parto normal (controles). Los análisis incluyeron la prueba Chi cuadrado y un análisis de regresión logístico para estimación de Odds Ratio (OR), crudos y ajustados. Resultados: Los principales hallazgos muestran que el lugar de nacimiento de la gestante en Lima (OR=2.26, IC95%=1.20–4.43, p=0.017), el estar con pareja (OR=2.97, IC95%=1.11–7.98, p=0.031), la edad gestacional menor a 28 semanas (OR=67.2, IC95%=8.12–555.55, p<0.001) y las atenciones prenatales menores a 6 (OR=4.21, IC95%=2.11–8.40, p<0.001) fueron factores asociados a óbito fetal. Conclusiones: El óbito fetal en mujeres gestantes peruanas se encontró asociado a factores epidemiológicos y obstétricos.
Estabilidad dimensional de siliconas con tecnología hidrofílica. Una revisión sistemática
Authors:   , Cabrera Tasayco Fiorella Del Pilar
Published: January 2023

Objetivo: La silicona por adición es hoy en día el material más utilizado para realizar tratamientos de rehabilitación oral, debido a su alta fidelidad de copia, resistencia al desgarrro y fácil manipulación; sin embargo, una de sus limitaciones es su naturaleza hidrofóbica. En los últimos años, los fabricantes han agregado sustancias tensioactivas que tienen afinidad con el agua y mejoran las propiedades de la silicona por adición. El objetivo de este estudio fue determinar el grado de cambio dimensional de la silicona de adición con tecnología hidrofílica en impresiones a través de una revisión sistemática. Método: Se realizó la búsqueda en bases de datos como Pubmed, Ebsco, Science Direct y Hinari en los últimos 20 años. Todos los estudios que fueron experimentales in vitro, relacionados con la estabilidad dimensional y la silicona de adición con tecnología hidrofílica fueron considerados. La calidad metodológica de los estudios se evaluó con la lista de verificación para estudios experimentales de la JBI (Joanna Briggs Institute), el cual fue adaptado para englobar la metodología acorde a la pregunta de investigación y el criterio PICOS. Resultados: 5 estudios cumplieron con los criterios de inclusión, obteniendo un bajo riesgo de sesgo. Se determinó que la estabilidad dimensional con la silicona de adición con tecnología hidrofílica sufre un cambio dimensional, sin embargo, no es significativo según los estándares de la norma n°19 de la ADA para materiales elastoméricos. Conclusiones: Hay muy pocas investigaciones respecto a este tópico investigado, se necesita más evidencia para obtener resultados más acertados. No obstante, en los estudios revisados, no se demostró un cambio significativo de cambio dimensional para las siliconas de tecnología hidrofílica
Topological Reorganization of Functional Hubs in Parkinson’s Disease Patients With Freezing of Gait.
Authors: Sreeniva Karthik , Bayram Ece , Zhuang Xiaowei , Longhurst Jason , Yang Zhengshi , Cordes Dietmar , Ritter Aaron , Caldwell Jessica , Cummings Jeffrey , Mari Zoltan , Litvan Irene , Bluett Brent , Mishra Virendra
Published: January 2023

Background and Purpose: Resting-state functional MRI (rs-fMRI) studies in Parkinson’s disease (PD) patients with freezing of gait (FOG) have implicated dysfunctional connectivity over multiple resting-state networks. While these findings provided network-specific insights and information related to the aberrant or altered regional functional connectivity, whether these alterations have any effect on topological reorganization in PD-FOG patients is incompletely understood. Understanding higher-order functional organization, which could be derived from the ‘hub’ and the ‘rich-club’ organization of the functional networks could be crucial to identifying the distinct and unique pattern of the network connectivity associated with PD-FOG.
Methods: In this study, we use rs-fMRI data and graph theoretical approaches to explore the reorganization of resting-state network topology in PD-FOG when compared to those without FOG (PD-nFOG). We also compared the higher-order functional organization derived using the hub and rich-club measures in the functional connectivity networks of these PD-FOG patients to understand whether there is a topological reorganization of these hubs in PD-FOG.
Results: We found that the PD-FOG patients showed a noticeable reorganization of hub regions. Regions that are part of the prefrontal cortex, primary somatosensory, motor, and visuomotor coordination areas showed were some of the regions exhibiting altered hub measures in PD-FOG patients. We also found significantly altered feeder and local connectivity in PD-FOG.
Conclusions: Overall our findings demonstrate a widespread topological reorganization and disrupted higher-order functional network topology in PD-FOG which may further assist in improving our understanding of functional network disturbances associated with PD-FOG.
Improved RNA stability estimation indicatess that transcriptional interference is frequent in diverse bacteria
Authors: Georg Jens , Wanney Walja , Youssar Loubna , Kostova Gergana
Published: January 2023

Bacterial gene expression is regulated and tuned via multiple means. This includes differential operon expression via transcriptional interference, which so far could not be globally investigated in vivo. Using stochastic simulations and experimental data from four different bacteria, we show evidence that a consequent rethinking of the classic rifampicin time-series can allow global monitoring and quantifying of in vivo termination by the collision mechanism of transcriptional interference and by trans-acting sRNAs. We provide evidence that transcriptional interference via the collision of sense and antisense transcription is a frequent and hitherto underestimated mechanism for bacterial gene regulation. Furthermore, we show that differential RNA decay, partial termination and internal transcriptional start sites often do not correlate with given gene annotations. This leads to the existence of transcript segments with different half-lifes within one and the same annotated gene which previously led to error prone half-life estimates. A dynamic-programming based segmentation, together with a case dependent fitting-model selection, significantly improves RNA stability estimation.
OWSum – Algorithmic Odor Prediction and Insight into Structure-Odor-Relationship
Authors: Schicker Doris , Singh Satnam , Freiherr Jessica , Grasskamp Andreas
Published: January 2023

We derived and implemented a linear classification algorithm for the prediction of a molecule’s odor, called Olfactory Weighted Sum (OWSum). Our approach relies solely on structural patterns of the molecules as features for algorithmic treatment. In addition to the prediction of molecular odor, OWSum provides insights into properties of the dataset and allows to understand how algorithmic classifications are reached. OWSum achieved an accuracy of 67.7% on our database containing molecules of six different odors and assigned quantitatively structural patterns to odors. This provides chemists with an intuitive understanding of underlying interactions. To deal with ambiguities of the natural language used to describe odor, we introduced descriptor overlap as a metric for the quantification of semantic overlap between descriptors. Thus, grouping of descriptors and derivation of higher-level descriptors becomes possible. Our approach poses a large leap in our capabilities to understand and predict molecular features.
A study of the RLC, RC, and RL electric circuits associated with incomplete I-functions
Authors: Jangid Kamlesh , Nishant M , Samei Mohammad Esmael , Bhatter Sanjay , Purohit Sunil Dutt
Published: January 2023

The goal of this article is to figure out the electric circuit responses under an impressed voltage E0 f(w) associated with incomplete I-functions and incomplete ī-functions. The analytical solutions for the RLC, RC and RL circuit are derived using the Laplace transform approach.
(2010) Mathematics Subject Classifications: 33B20; 33E20; 26A33.
Using Machine Learning to Develop a Clinical Prediction Model for SSRI-associated bleeding: a feasibility study
Authors: Goyal Jatin , Ng Ding Quan , Zhang Kevin , Chan Alexandre , Lee Joyce , Zheng Kai , Hurley-Kim Keri , Nguyen Lee , He Lu , Nguyen Megan , McBane Sarah , Li Wei , Cadiz Christine Luu
Published: January 2023

Introduction: Adverse drug events (ADEs) are associated with poor outcomes and increased costs but may be prevented with prediction tools. With the National Institute of Health All of Us (AoU) database, we employed machine learning (ML) to predict selective serotonin reuptake inhibitor (SSRI)-associated bleeding.
Methods: The AoU program, beginning in 05/2018, continues to recruit ≥18 years old individuals across the United States. Participants completed surveys and consented to contribute electronic health record (EHR) for research. Using the EHR, we determined participants who were exposed to SSRIs (citalopram, escitalopram, fluoxetine, fluvoxamine, paroxetine, sertraline, vortioxetine). Features (n=88) were selected with clinicians’ input and comprised sociodemographic, lifestyle, comorbidities, and medication use information. We identified bleeding events with validated EHR algorithms and applied logistic regression, decision tree, random forest, and extreme gradient boost to predict bleeding during SSRI exposure. We assessed model performance with area under the receiver operating characteristic curve statistic (AUC) and defined clinically significant features as resulting in >0.01 decline in AUC after removal from the model, in three of four ML models.
Results: There were 10,362 participants exposed to SSRIs, with 9.6% experiencing a bleeding event during SSRI exposure. For each SSRI, performance across all four ML models was relatively consistent. AUCs from the best models ranged 0.632–0.698. Clinically significant features included health literacy for escitalopram, and bleeding history and socioeconomic status for all SSRIs.
Conclusions: We demonstrated feasibility of predicting ADEs using ML. Incorporating genomic features and drug interactions with deep learning models may improve ADEprediction.
Reducing hospital readmissions amongst people experiencing homelessness: a mixed-methods evaluation of a multi-disciplinary hospital in-reach programme
Authors: Malden Stephen , Doi Larry , Ng Lauren , Cuthill Fiona
Published: January 2023

Introduction: Homeless people are at increased risk of experiencing ill-health. They are often readmitted to hospital even after discharge, usually for the same or similar reasons for initial hospitalisation. One way of addressing this issue is through hospital in-reach initiatives, which have been established to enhance the treatment and discharge pathways that patients identified as homeless receive after hospital admission. Since 2020, the Hospital In-reach programme has been piloted in two large National Health Service (NHS) hospitals in Edinburgh, United Kingdom (UK). This study describes an evaluation of the programme.
Methods: This evaluation used a mixed method, pre-post design. To assess the effect of the programme on hospital readmission rates from baseline (12 month pre-intervention) and follow-up (12 months post-intervention), aggregate data describing the proportions of homeless individuals admitted to hospital during the evaluation period were analysed using Wilcoxon signed rank test, with level of significance set at p=0.05. Qualitative interviews were conducted with fifteen programme and hospital staff (nurses, general practitioners, homeless link workers) to assess the processes of the programme.
Results: A total of 768 referrals, including readmissions, were made to the in-reach programme during the study period, of which eighty–eight individuals were followed up as part of the study. In comparison to admissions in the previous 12 months, readmissions were significantly reduced at 12 months follow-up by 68.7% (P=0.001) for those who received an in-reach intervention of any kind. Qualitative findings showed that the programme was valued by hospital staff and homeless community workers. Housing services and clinical staff attributed improvements in services to their ability to collaborate more effectively in secondary care settings. This ensured treatment regimens were completed and housing was retained during hospital admission, which facilitated earlier planning for discharge.
Conclusions: A multidisciplinary approach to reducing readmissions in people experiencing homelessness was effective at reducing readmissions over a 12 month period. The programme appears to have enhanced the ability for multiple agencies to work more closely and ensure the right care is provided for those at risk of readmission to hospital among people affected by homelessness.
A Most Peculiar Interferometer
Authors: Korula Aswan
Published: January 2023

In this paper we conduct a simple experiment wherein we create a wave within a circular container and analyse the interference patterns generated by the reflections from the boundary. In doing so we observe constructive interference in positions in space where our current wave theory predicts noise. This result demonstrates that in the particular situation presented here, the velocities of a wave before and after reflection from a solid boundary, are unequal. Analysing these peculiar events, we explore theoretical and observational equivalencies between our water wave experiment and the Michelson-Morley experiment of 1887.
Dissolution Profile Evaluation of Seven Brands of Amoxicillin-Clavulanate Potassium 625 mg Tablets Retailed in Hawassa Town, Sidama Regional State, Ethiopia
Authors: Endashaw Eyob , Tatiparthi Ramanjireddy , Mohammed Tesfaye , Tefera Yesuneh , Teshome Henok , Duguma Markos
Published: January 2023

Back-ground: Poor quality Amoxicillin-clavulanate potassium tablets have been recently discovered in generic drugs related to Augmentin-like medicines containing amoxicillin and clavulanic acid, as well as its derivatives containing falsified active ingredients. One of the most important dosage form characteristics is a detailed API dissolution profile obtained through dissolution testing. The dissolution test is used in the development of both brand-name and generic drugs. Prior to beginning bioequivalence studies, it is critical to compare the dissolution profiles of various pharmaceutical products. As a result, dissolution is a critical quality control parameter for drugs because it has a direct impact on absorption. Objective: Dissolution Profile Evaluation of Seven Brands of Amoxicillin-Clavulanate Potassium Tablets Retailed in Hawassa Town, Sidama Regional State, Ethiopia. Methods: The seven brands of amoxicillin-clavulanate potassium tablets were collected from Hawassa town, Sidama Regional State, Ethiopia. The dissolution study was conducted as per USP40-NF35, and the dissolution profile was compared by One-way ANOVA Dunnett’s test, model independent, and model dependent method. Results: All of the included brand tablets complied with a single-point dissolution study specification. All brand tablets had similar dissolution profiles (p > 0.05), difference factor (f1) < 15%, and dissolution efficiency (\((\le 10\%\)). However, the f2 (similarity factor) value justify that all brand tablets were not within USFDA specification (\(\ge\)50%). The evaluated brands followed the Korsmeyer peppas- followed by Weibull curve approaches. Conclusions: All brand tablets passed the single point USP dissolution specification, and the USFDA therapeutic interchangeability guidelines. The similarity factor (f2), on the other hand, confirmed that none of the tested brand tablets were interchangeable with the innovator product. Therefore, researchers, national medicine regulatory bodies, and the manufacturer should conduct a properly designed dissolution test as proof of an in vitro bioequivalence study supported by in vivo bioavailability data.
Comparison of cataract surgery outcomes between a secondary and a tertiary eye hospital in Tamil Nadu, India
Authors: Subburaman Ganesh-Babu , Gunasekaran Anitha , Chandrashekharan Shivkumar , G van Merode G , Balakrishnan Logesh , Ravilla Thulasiraj , Gupta Sachin
Published: January 2023

Purpose: To examine the difference in post-operative visual outcomes of cataract surgeries between a tertiary and secondary centre at Aravind Eye Hospitals in Tamil Nadu, India.
Methods: Our retrospective cross-sectional study analysed cataract surgeries at a secondary centre and its associated tertiary centre in 2021. Our main outcome measures were postoperative best corrected visual acuity (BCVA), spherical equivalent, and intraoperative and postoperative complications. Two-sample proportion tests, regression analyses, and logistic probability analyses were performed.
Results: The analysis of 32,302 cataract surgeries in 2021 of which 4,357 were performed at the secondary centre and 27,945 were performed at the tertiary centre showed that the tertiary centre operated on more advanced cataract condition (p<0.001) and had higher incidence of patients with ocular comorbidity (p<0.001). Intraoperative (p<0.001) and post-operative complication rates (p<0.001) were higher in the tertiary centre. The odds of effective outcomes (BCVA >=6/12) controlling for all covariates are poorer (p<0.0001) in the tertiary centre for both phacoemulsification (phaco) and manual small incision cataract surgeries (MSICS).
Conclusion: World Health Organization recommendations for the effective outcome of cataract surgery are met by both the tertiary and secondary centres, but the odds of effective outcomes in MSICS in the tertiary centre was lower after adjusting for all known factors. Further investigations of the causes of poor vision in MSICS in the tertiary centre are needed to improve the situation.
Comparing GDF9 in mature follicles and clinical outcome in different PCOS Phenotypes
Authors: Cai Jingjing , Luo Xiangmin , Wang Zhengyao , Chen Zixuan , Huang Donghong , Cao Hui , Chen Jing , Wu Jinxiang
Published: January 2023

Backgroud:

Polycystic ovary syndrome (PCOS) is the leading cause of anovulatory infertility. Growth differentiation factor 9 (GDF9) is aprime candidate as potential biomarker for the assessment of oocyte competence. Herein, we aimed to screen GDF9 of mature follicles in women with different PCOS phenotypes undergoing controlled ovarian hyperstimulation (COS) and analyse the correlation between GDF9 expression levels and the oocyte developmental ability.

Methods

In this study, follicular fluid (FF) and cumulus cells(CCs) of mature follicles were collected from different PCOS phenotypes, Enzyme linked immunosorbent assay (ELISA) was used to examine the level of GDF9 in FF; Immunohistochemical method was performed to detect GDF9 protein expression in CCs. The indenpendent effect of GDF9 on blastocyst formation and clinical pregnancy was determined by Binary Logistic Regression analysis. Results: The GDF9 levels in FF for phenotype A and B were significantly increased, compared to the phenotype D, (P = 0.019, P = 0.0015, respectively). Increased GDF9 expression in CCs of phenotype A and B was accompanied by the changes of FF. The analysis of the multivariable logistic regression showed that GDF9 was a significant independent prognosticator of blastocyst formation(P＜0.001). The phenotype A had a higher percent of blastocyst formation than the phenotype B and D (P＜0.001).

Conclusions

Taken together, GDF9 expression varied in different PCOS phenotypes. The phenotype A had a higher GDF9 level and even more ability of blastocyst formation.
Prevalence and characteristics of oblique astigmatism
Authors: Hayashi Ken , Uno Koichi , Manabe Shin-ichi , Hirata Akira
Published: January 2023

OBJECTIVE: To examine the incidence and characteristics of eyes with oblique astigmatism stratified by meridian, age, sex, and eye side (left to right).
METHODS: One thousand eyes of 1000 patients with oblique corneal astigmatism underwent videokeratographic examination, and was classified into 4 meridian categories: 1) 31°-45°, 2) 46°-59°, 3) 121°-135°, and 4) 136°-149°. Amounts of regular and irregular astigmatism, and the vertical/horizontal (Rx) and oblique astigmatism components (Ry) decomposed using vector analysis were compared among the 4 categories and age groups, and between sexes and eye sides.
RESULTS: Incidences of the 4 meridian categories were similar, and did not differ significantly among age groups or between sexes. The incidence was significantly greater in eyes in meridian categories 1 and 2 in the left eye and categories 3 and 4 in the right eye, and significantly greater in men in their 40s and 50s and in women in their 70s and 80s (P < 0.001). The mean regular astigmatism, asymmetry and higher-order irregularity components, and Rx and absolute Ry significantly increased with age (P ≤ 0.037). The mean regular and irregular astigmatism, and absolute Rx and Ry did not differ significantly among the 4 categories, or between sexes or left and right eyes.
CONCLUSIONS: The incidence of oblique astigmatism was significantly greater in the temporal side meridians, and the incidence in women increased with age. The degree of oblique astigmatism increased with age, with an increase in irregular astigmatism.
Micronutrient availability in ferruginous, silica-rich Precambrian oceans
Authors: Tostevin Rosalie , Ahmed Imad
Published: January 2023

Early microbial life preferentially selected Fe, Mn, and Mo to form metalloproteins, whereas the majority of Zn-, Cu- and V- binding proteins emerged much later. These preferences are commonly interpreted in the context of evolving seawater chemistry, with free sulfide proposed as a key influence. While sulfidic waters scavenge Zn and Cu, they also remove Mo, and don’t scavenge V. What’s more, current geochemical data reflect an early ocean featuring anoxic, Fe2+ and SiO2(aq) rich waters. Consistent with this, recent sedimentological work has uncovered abundant iron-silicate minerals in Archean and Palaeoproterozoic rocks (4.0–1.6 billion years ago). In this article we quantify metal partitioning during the nucleation and diagenesis of greenalite, an Fe(II)-silicate mineral, from seawater as well as hot hydrothermal fluids. Our data show that greenalite could have precipitated rapidly from Archean hydrothermal plumes, severely attenuating the delivery of key nutrients, in particular Cu, Zn and V. These results provide a mechanistic explanation for metal availability in Archaean oceans that is consistent with temporal patterns of metal utilisation predicted from protein structures and comparative genomics. Further, our data suggest natural greenalite may provide a novel window into ancient ocean chemistry that can be used to track metal availability in deep time.
Microcapsules loaded with date seed extract and its inhibitory potential to modulate the toxic effects of mycotoxins in mice received mold-contaminated diet
Authors: Sanei Sogand , Kasgari Mohammadamin Bozorgi , Abedinzadeh Fatemeh , Sasan Atena Poor , Hassani Saeid , Karimi Ehsan , Oskoueian Ehsan , Jahromi Mohammad Faseleh
Published: January 2023

Mycotoxins are the secondary fungal metabolites generally produced by wide range of fungi including aflatoxins (AF), ochratoxin A (OTA), fumonisins (FB), zearalenone (ZEN), and deoxynivalenol (DON). Nowadays, they are main concern to food and agricultural commodities due to undesirable health and socio-economic effect. This investigation was designed to synthesized microcapsules loaded the bioactive compounds of date seed and evaluated its inhibitory activities in mice received mold-contaminated diet. The finding revealed that the developed microcapsule is homogenous and mostly spherical with size of 2.58 µm with acceptable PDI of 0.21. The main phytochemical has been confirmed by HPLC analysis were xylose, fructose, mannose, glucose and galactose with the respective values of 41.95, 2.24, 5.27 and 0.169 percent. The invivo analyses manifested that the mice received date seed microcapsules significantly (p < 0.05) improved the average daily weight gain, feed intake, liver enzymes (ALT, ALP and AST) and lipid peroxidation values compare to mice group received mycotoxin-contaminated diet. Furthermore, encapsulation date seed bioactive compounds notably up-regulated the expression of GPx, SOD, IFN-γ and IL-2 genes while down-regulated the iNOS gene. Consequently, the novel microcapsules loaded date seed is suggested to considered as a promising mycotoxin inhibitor.
Assessment of Binding Interaction to Salmon Sperm DNA of Two Antiviral Agents and Ecofriendly Nanoparticles: Comprehensive Spectroscopic Study
Authors: Hakiem Ahmed Faried Abdel , Kamal Ahmed Mohsen , Draz Mohammed E. , Mohamed Niveen A. , Aboraia Ahmed Safwat
Published: January 2023

The direct binding of antiviral agents; Daclatasvir and valacyclovir and green synthesized nanoparticles to salmon sperm DNA have been assessed in a comparative study. The nanoparticles were synthesized by the hydrothermal autoclave method and have been fully characterized. The interactive behavior and competitive binding of the analytes to DNA in addition to the thermodynamic properties were deeply investigated by the UV-visible spectroscopy. The binding constants were monitored in the physiological pH conditions to be 1.65 × 106, 4.92 × 105 and 3.12 × 105 for daclatasvir ,valacyclovir and quantum dots, respectively. The significant changes in the spectral features of all analytes have proven intercalative binding. The competitive study has confirmed that, daclatasvir, valacyclovir, and the quantum dots have exhibited groove binding. All analytes have shown good entropy and enthalpy values indicating stable interactions. The electrostatic and non-electrostatic kinetic parameters have been determined through studying the binding interactions at different concentrations of KCl solutions. A molecular modelling study has been applied to demonstrate the binding interactions and their mechanisms. The obtained results were complementary and afforded new eras for the therapeutic applications.
Predicting extreme floods and droughts in East Africa with deep learning
Authors: Patil Kalpesh , Doi Takeshi , Behera Swadhin
Published: January 2023

The lives of millions of people in the East African region are highly affected by severe floods and persistent droughts. Early warnings at least a couple of seasons ahead would help the mitigation measures. However, most prediction systems using dynamical models are seen to perform poorly at long lead times. In this study, we propose a statistical deep-learning based approach using convolutional neural network (CNN) to predict extreme floods and droughts during the short rains season (October-December). The proposed CNN accurately captures the extreme floods and droughts two to three seasons ahead. Diagnosing the model’s skills using heatmaps, the extreme floods and droughts are found to linked with Indian Ocean Dipole at shorter leads and with western and southern Indian Ocean sea surface temperature anomalies, at longer leads. Though a few exceptions poorly predicted, the superior skills of the CNN-based predictions on longer leads are advantageous in organizing mitigation measures.
The simultaneous degradation of prochloraz and tebuconazole in water with identification and degradation of their main degradation products using liquid chromatography-tandem mass spectrometry.
Authors: Awwad Mahmoud M , taha sherif M , Khalil Mostafa M.H. , Salem Abdelnaby Mohamed , chovelon jean-marc
Published: January 2023

Prochloraz and tebuconazole are well-known fungicides for broad-spectrum applications, including; medical, industrial, and agricultural. They are frequently used simultaneously for the protection of various agricultural products. The presence of these fungicides in water doesn't only affect the health of direct consumers but also limits their reuse. In this study, complete degradation of these fungicides and their degradation products were accomplished using thermal-activated persulfate. It takes only 30 min to degrade 97% and 98% of PCZ and TBZ, respectively, in their single presence in water using 1.4 mM persulfate and a temperature of 50 ºC. However, it takes one hour to degrade a mixture of PCZ and TBZ at percentages of 99% and 94%, respectively, at the same degradation conditions. The persulfate degradation of prochloraz was conducted by the cleavage of the imidazole ring and the subsequent formation of a trichlorophenol. While, persulfate degradation of tebuconazole was mainly accomplished by the formation of a hydroxyl structure, cleavage of the tert-butyl chain, and the subsequent formation of a di-ketone degradation product. The identification of PCZ and TBZ degradation products was determined using the liquid chromatography-tandem mass spectrometry technique (LC-MS/MS) at both positive and negative modes. The suggested structures of these degradation products and their dissipation were confirmed and monitored, using developed LC-MS/MS multiple reaction monitoring methods.
Heterogeneity in the M. tuberculosis β-Lactamase Inhibition by Sulbactam
Authors: Schmidt Marius , Malla Tek Narsingh , Zielinski Kara , Aldama Luis , Bajt Sasa , Feliz Denisse , Hayes Brandon , Hunter Mark , Kupitz Christopher , Lisova Stella , Knoska Juraj , Martin-Garcia Jose , Mariani Valerio , Pandey Suraj , Poudyal Ishwor , Sierra Raymond , Tolstikova Alexandra , Yefanov Oleksandr , Yoon Ching Hong , Ourmazd Abbas , Fromme Petra , Schwander Peter , Barty Anton , Chapman Henry , Stojković Emina , Batyuk Alexander , Boutet Sébastien , Phillips George , Pollack Lois
Published: January 2023

For decades, researchers have been determined to elucidate essential enzymatic functions on the atomic lengths scale by tracing atomic positions in real time. Our work builds on new possibilities unleashed by mix-and-inject serial crystallography (MISC) 1–5 at X-ray free electron laser facilities. In this approach, enzymatic reactions are triggered by mixing substrate or ligand solutions with enzyme microcrystals 6. Here, we report in atomic detail and with millisecond time-resolution how the Mycobacterium tuberculosis enzyme BlaC is inhibited by sulbactam (SUB). Our results reveal ligand binding heterogeneity, ligand gating 7–9, cooperativity, induced fit 10,11 and conformational selection 11–13 all from the same set of MISC data, detailing how SUB approaches the catalytic clefts and binds to the enzyme non-covalently before reacting to a trans-enamine. This was made possible in part by the application of the singular value decomposition 14 to the MISC data using a newly developed program that remains functional even if unit cell parameters change during the reaction.
The assessment and forecasting of carbon emission for Gansu-Qinghai-Shaanxi of China
Authors: Zhu Suling , Zhang Di , Zhang Le , Luo Lijiao , Li Min
Published: January 2023

The assessment of regional low carbon development level can fully reflect the current situation of low carbon development, and the carbon emission forecasting can reveal the future trend of carbon emission and pressure of emission reduction. Therefore, it is of great significance to carry out the assessment of low carbon development level and carbon emission forecasting in Gansu, Qinghai and Shaanxi provinces for regional green economy development. Therefore, this research constructs an index system to objectively reflect the low carbon development level of Gansu, Qinghai and Shaanxi provinces, and proposes IE-TOPSIS comprehensive assessment method to assess the regional low carbon development level from 2010 to 2020. It is showed that low carbon development level of the three provinces over the past decade has an increasing trend. Furthermore, this research establishes a GRA-DPC-MAPE combined forecasting model for carbon emission forecasting of Gansu, Qinghai and Shaanxi. GRA-DPC-MAPE model has higher forecast accuracy than individual model SVR, PSO-SVR, ELM and Elman. It is showed that carbon emission of Gansu and Shaanxi provinces will continue to increase from 2021 to 2025 under the current development.
Evaluation of a neem (Azadirachta indica) herbal formulation for management of sarcoptic mange in dromedary camels
Authors: Atal Tej Prakash , Narnaware Shirish Dadarao , Choudhary Sunita , Sawal Rajesh Kumar , Ranjan Rakesh
Published: January 2023

In dromedary camels sarcoptic mange is a highly contagious zoonotic mite infection. In the present study, a neem herbal formulation was prepared using fresh neem leaves, mustard oil, turmeric powder, camphor oil and distilled water for treatment of sarcoptic mange in adult dromedary camels. Total seven applications of this formulation was applied in six mange affected camels at every alternate day. The efficacy of this formulation was compared with six camels receiving two doses of ivermectin injection (dose rate 0.2mg/Kg body weight) at 7 days interval. To evaluate the therapeutic efficacy of the formulation, improvement in skin lesions of mange were recorded, and skin scraping and skin biopsy examination was performed before and after treatment. Macroscopically all the mange affected camels showed grey colored dry skin lesions over different body parts with intense pruritus, alopecia, thickening and corrugation. At the end of treatment trial, the neem formulation treated camels showed complete recovery without any remnants of scar or keratinization at affected sites, further the skin became smooth, shiny and glossy with appearance of new hair growth. In ivermectin treated camels although recovery from mange lesions was observed after 14th day, however the grey areas of the skin with some remnants of scar or keratinization and patches of alopecia were not completely cured in 50% of the treated camels. The result indicated that neem based herbal formulation have better efficacy than ivermectin against treatment of sarcoptic mange in dromedary camels and can provide a cheap, safe and eco-friendly alternative.
RTS,S/AS02A malaria vaccine-induced IgG responses equally recognize native-like fucosylated and non-fucosylated Plasmodium falciparum circumsporozoite proteins
Authors: Dobaño Carlota , Jairoce Chenjerai , Macià Dídac , Torres-Yaguana Jorge , Mayer Leonie , Vidal Marta , Santano Rebeca , Hurtado-Guerrero Ramón , Reiter Karine , Narum David , Lopez-Gutierrez Borja , Hamerly Timothy , Sacarlal Jahit , Aguilar Ruth , Dinglasan Rhoel , Moncunill Gemma , Izquierdo Luis
Published: January 2023

The RTS,S/AS02A malaria vaccine is based on thePlasmodium falciparumcircumsporozoite protein (PfCSP), which is O-fucosylated on the sporozoite surface. We determined whether RTS,S/AS02A-induced IgGs recognise vaccine-like non-fucosylated PfCSP better than native-like fucosylated PfCSP. Similar to previous vaccine trials, RTS,S/AS02A vaccination induced high anti-CSP IgG levels associated with malaria protection. IgG recognition of non-fucosylated and fucosylated PfCSP was equivalent, suggesting that PfCSP fucosylation does not affect antibody recognition.
Multiple pathways to widespread fears: Disentangling idiosyncratic fear generalization mechanisms using computational modeling
Authors: Yu Kenny , Tuerlinckx Francis , Vanpaemel Wolf , Zaman Jonas
Published: January 2023

Human generalization research aims to understand the processes underlying the transfer of prior experiences to new contexts. Generalization research predominantly relies on descriptive statistics, assumes a single generalization mechanism, interprets generalization from mono-source data, and disregards individual differences. Unfortunately, such an approach fails to disentangle various mechanisms underlying generalization behavior and can readily result in biased conclusions regarding generalization tendencies. Therefore, we combined a computational model with multi-source data to mechanistically investigate human generalization. By simultaneously modeling learning, perceptual and generalization data at the individual level, we revealed meaningful variations in how different mechanisms contribute to generalization behavior. The current research suggests the need for revising the theoretical and analytic foundations in the field to shift the attention away from forecasting group-level generalization behavior and toward understanding how such phenomena emerge at the individual level. This opens the possibility of having a mechanism-specific differential diagnosis in generalization-related psychiatric disorders.
Why do we need Norm Sensitive Design? A WEIRD critique of value sensitive approaches to design
Authors: Martin Diana Adela , Clancy Rockwell F. , Zhu Qin , Bombaerts Gunter
Published: January 2023

The article argues that mainstream value-sensitive approaches to design have been based on narrow understandings of personhood and social dynamics, which are biased towards Western Educated Industrialized Rich and Democratic cultures and contradicted by empirical evidence. To respond to this weakness, the article suggests that design may benefit from focusing on user behaviours from the joint perspective of values and norms, especially across cultural contexts. As such, it proposes Norm Sensitive Design as a complement to value-sensitive approaches when designing and implementing new technologies. Versus values, norms serve as more accurate predictors or descriptors of behaviours and can thus support value-sensitive approaches to realize the aspiration of informing user behaviour via design. The article makes two key contributions. On the theoretical side, it promotes the consideration of norms in design. On the practical side, it offers designers and instructors prompts for reflecting on design ethics from the perspective of norms.
Midgut transcriptomic responses to dengue and chikungunya viruses in the vectors Aedes albopictus and Aedes malayensis
Authors: Modahl Cassandra M. , Chowdhury Avisha , Low Dolyce H. W. , Manuel Menchie C. , Missé Dorothée , Kini R. Manjunatha , Mendenhall Ian H. , Pompon Julien
Published: January 2023

Dengue (DENV) and chikungunya (CHIKV) viruses are among the most preponderant arboviruses. Although primarily transmitted through the bite of Aedes aegypti mosquitoes, Aedes albopictus and Aedes malayensis are competent vectors and have an impact on arbovirus epidemiology. Here, to fill the gap in our understanding of the molecular interactions between secondary vectors and arboviruses, we used transcriptomics to profile the whole-genome responses of A. albopictus to CHIKV and of A. malayensis to CHIKV and DENV at 1 and 4 days post-infection (dpi) in midguts. In A. albopictus, 1,793 and 339 genes were significantly regulated by CHIKV at 1 and 4 dpi, respectively. In A. malayensis, 943 and 222 genes upon CHIKV infection, and 74 and 69 genes upon DENV infection were significantly regulated at 1 and 4 dpi, respectively. We reported 81 genes that were consistently differentially regulated in all the CHIKV-infected conditions, identifying a CHIKV-induced signature. We identified expressed immune genes in both mosquito species, using a de novo assembled midgut transcriptome for A. malayensis, and described their immune architectures. We found the JNK pathway activated in all conditions, generalizing its antiviral function to Aedines. Our comprehensive study provides insight into arbovirus transmission by multiple Aedes vectors.
Exploring different stakeholder’s perspectives on ward rounds in paediatric oncology: A qualitative study
Authors: Berndt Lea P. , Sellin Julia , Mücke Urs , Mücke Martin , Conrad Rupert , Grigull Lorenz
Published: January 2023

objectives

The ward round is a core routine for interprofessional communication and clinical care planning. It allows health care professionals and patients to meet regularly and encourages patients to take an active role. Despite its high value for patient-centred care, there exists no universal definition of ward round. Little is known about the different attitudes and expectations of participants towards a ‘good’ ward round (WR). This study aims to capture the experiences and expectations of different stakeholders to better understand their ward round needs

Method

Semi-structured interviews were conducted with patients, parents, nurses and medical doctors of a paediatric oncology ward until theoretical saturation (13 interviews). A standardised qualitative analysis using the phenomenological framework defined by Colaizzi was used to identify important aspects in the interviews.

Results

Three major themes were identified in the interviews: (1) Structure and Organisation; (2) Communication; (3) Education. Further analysis revealed 23 categories and elucidated a number of opportunities and unmet needs stakeholders recognised within WR: The WR functions in comforting families in stressful situations, and relationship building. Interviewees expressed their concerns about missing structures. Families pleaded for smaller WR teams and more layperson language. Health care professionals underscored the lack of formal education on conducting ward rounds. Paediatric patients stated that WR scared them without proper explanation. All interviewees emphasized the need for professionalization of the WR.

Conclusion

This study gives important insights into practical WR functions and challenges in paediatric oncology. Although performed universally, WR are poorly explored or evaluated. This structured analysis synthesizes important expectations of different WR stakeholders, stressing the need for guidelines, training, and preparation.
Ethics committee approval No. 7700, 05.03.2018 (Hannover Medical School).
EvoBind: peptide binder design with inverse folding and protein structure prediction
Authors: Bryant Patrick , Elofsson Arne
Published: January 2023

Protein design requires structural scaffolds generated with human guidance and the performance across known binding domains is not known. Here, we design peptide binders by combining known structural information searched with Foldseek, the protein design method ESM-IF1 and the protein structure prediction method AlphaFold2 (AF) in a joint framework. Foldseek is used to automatically generate backbone seeds for a modified version of ESM-IF1 adapted to protein complexes. We find that the authors’ adaptation of ESM-IF1 results in a strong Methionine bias in position 1 resulting in faulty binders. This can be resolved by simply changing the chain order. The resulting sequences are evaluated with AF using an MSA representation for the receptor structure and a single sequence for the binder. We perform an extensive analysis across 2843 heterodimeric protein interfaces, 1172 homodimeric interfaces, peptide binders and designed protein binders. We show that AF can accurately evaluate protein binders and that our bind score can select these (ROC AUC=0.96 for the heterodimeric case). We find that designs created from seeds with a higher number of contacts per residue are more successful and these tend to be short. There is a relationship between the sequence recovery in interface positions and the plDDT of the designs, where designs with ≥80% recovery have an average plDDT of 84 compared to 55 at 0%. We show the specificity of the designs by analysing off-target effects and find that designed sequences have 60% higher median plDDT values towards intended receptors compared to non-intended receptors. Our framework, EvoBind, creates successful binders (interface RMSD≤2 Å) towards 185 (6.5%) heteromeric and 42 (3.6%) homomeric protein interfaces compared with 18 (1.5%) using ProteinMPNN from 100 samples. EvoBind is freely available at: https://colab.research.google.com/github/patrickbryant1/binder_design/blob/main/EvoBind.ipynb
Asymmetric gating of a human hetero-pentameric glycine receptor
Authors: Liu Xiaofen , Wang Weiwei
Published: January 2023

Hetero-pentameric Cys-loop receptors constitute a major type of neurotransmitter receptors that enable signal transmission and processing in the nervous system. Despite intense investigations in their working mechanism and pharmaceutical potentials, how neurotransmitters activate these receptors remain unclear due to the lack of high-resolution structural information in the activated open state. Here we report near-atomic resolution structures in all principle functional states of the human α1β GlyR, which is a major Cys-loop receptor that mediates inhibitory neurotransmission in the central nervous system of adults. Glycine binding induced cooperative and symmetric structural rearrangements in the neurotransmitter-binding extracellular domain, but asymmetrical pore dilation in the transmembrane domain. Symmetric response in the extracellular domain is consistent with electrophysiological data showing similar contribution to activation from all the α1 and β subunits. A set of functionally essential but differentially charged amino-acid residues in the transmembrane domain of the α1 and β subunits explains asymmetric activation. These findings point to a gating mechanism that is distinct from homomeric receptors but more compatible with heteromeric GlyRs being clustered at synapses through β subunit–scaffolding protein interactions. Such mechanism provides foundation for understanding how gating of the Cys-loop receptor members diverge to accommodate specific physiological environment.
Impact of digital stress on negative emotions and physical complaints in the home office
Authors: Wrede Sammy J.S. , Claassen Kevin , Anjos Dominique Rodil dos , Kettschau Jan P. , Broding Horst C.
Published: January 2023

Due to the COVID-19 pandemic many employees perform under increasingly digital conditions. Enabling home office became mandatory for companies wherever possible in consideration of the ongoing pandemic. Simultaneously, studies report on digital stress. The current literature lacks investigations of digital stress on psychosomatic outcomes, emotions and disease. How has digital stress developed over the course of the pandemic? Does digital stress predict differences in negative emotions and physical complaints in the home office setting? To answer the research question we conducted an online survey among 441 employees in 2020 and 398 employees in 2022 from three municipal administrations in Germany, who were working from home at least occasionally. We used a cluster analysis to detect the cluster of digitally stressed employees. Regressions were performed on digital stress, negative emotions, and physical complaints. The analysis revealed an increase from 9 to 20 percent in digital stress, while negative emotions and physical complaints did not show evident differences. In the multivariate model we observe a change in the proportion of digitally stressed between 4 and 17 percent, while the control variables explain around 9 percent. Digital stress might be slightly predictive for negative emotions, but not for physical complaints. The study emphasizes rising digital stress, which contradicts an adaption to the digital working conditions within the observed period. The psychosomatic relations are low or lagged. Further research investigating on digital stress and countermeasures especially for working from home to prevent harmful long-term effects resulting from distress is needed.