bluuebunny/crossref_metadata_2025_split huggingface dataset:
Production and properties of adhesin-free gingipain proteinase RgpA
Authors: Mahmud Abu Sayeed M. , Seers Christine A. , Huq N. Laila , Zhang Lianyi , Butler Catherine A. , Moore Caroline , Cross Keith J. , Reynolds Eric C. 
Published: July 2023

AbstractThe Arg-specific gingipains of Porphyromonas gingivalis RgpA and RgpB have 97% identical sequences in their catalytic domains yet their propeptides are only 76% identical. RgpA isolates as a proteinase–adhesin complex (HRgpA) which hinders direct kinetic comparison of RgpAcat as a monomer with monomeric RgpB. We tested modifications of rgpA identifying a variant that enabled us to isolate histidine-tagged monomeric RgpA (rRgpAH). Kinetic comparisons between rRgpAH and RgpB used benzoyl-l-Arg-4-nitroanilide with and without cysteine and glycylglycine acceptor molecules. With no glycylglycine, values of Km, Vmax, kcat and kcat/Km for each enzyme were similar, but with glycylglycine Km decreased, Vmax increased and kcat increased ~ twofold for RgpB but ~ sixfold for rRgpAH. The kcat/Km for rRgpAH was unchanged whereas that of RgpB more than halved. Recombinant RgpA propeptide inhibited rRgpAH and RgpB with Ki 13 nM and 15 nM Ki respectively slightly more effectively than RgpB propeptide which inhibited rRgpAH and RgpB with Ki 22 nM and 29 nM respectively (p < 0.0001); a result that may be attributable to the divergent propeptide sequences. Overall, the data for rRgpAH reflected observations previously made by others using HRgpA, indicating rRgpAH fidelity and confirming the first production and isolation of functional affinity tagged RgpA.
Unravelling the hidden power of esterases for biomanufacturing of short-chain esters
Authors: Sarnaik Aditya P. , Shinde Somnath , Mhatre Apurv , Jansen Abigail , Jha Amit Kumar , McKeown Haley , Davis Ryan , Varman Arul M. 
Published: July 2023

AbstractMicrobial production of esters has recently garnered wide attention, but the current production metrics are low. Evidently, the ester precursors (organic acids and alcohols) can be accumulated at higher titers by microbes like Escherichia coli. Hence, we hypothesized that their ‘direct esterification’ using esterases will be efficient. We engineered esterases from various microorganisms into E. coli, along with overexpression of ethanol and lactate pathway genes. High cell density fermentation exhibited the strains possessing esterase-A (SSL76) and carbohydrate esterase (SSL74) as the potent candidates. Fed-batch fermentation at pH 7 resulted in 80 mg/L of ethyl acetate and 10 mg/L of ethyl lactate accumulation by SSL76. At pH 6, the total ester titer improved by 2.5-fold, with SSL76 producing 225 mg/L of ethyl acetate, and 18.2 mg/L of ethyl lactate, the highest reported titer in E. coli. To our knowledge, this is the first successful demonstration of short-chain ester production by engineering ‘esterases’ in E. coli.
The longitudinal study of subjective wellbeing and absenteeism of healthcare workers considering post-COVID condition and the COVID-19 pandemic toll
Authors: Nehme Mayssam , Vieux Laure , Kaiser Laurent , Chappuis François , Chenaud Catherine ,   HealthCo Study Team, Braillard Olivia , Courvoisier Delphine S. , Reny Jean-Luc , Assal Frederic , Bondolfi Guido , Graf Christophe , Zekry Dina , Stringhini Silvia , Spechbach Hervé , Jacquerioz Frederique , Salamun Julien , Lador Frederic , Guerreiro Ivan , Coen Matteo , Agoritsas Thomas , Benzakour Lamyae , Genevay Stéphane , Lauper Kim , Meyer Philippe , Poku Nana Kwabena , Landis Basile N. , Grira Marwène , Allali Gilles , Vetter Pauline , Guessous Idris 
Published: July 2023

AbstractExperts have warned against the pandemic burden on healthcare workers early on, however little is known about the evolution of this burden with time, in addition to the long-term effects of post-COVID symptoms in healthcare workers. Staff at the Geneva University Hospitals in Switzerland had an online follow-up in July and December 2021, on their physical and mental health, quality of life and functional capacity using validated scales. Descriptive analyses compared the prevalence of symptoms, functional impairment and quality of life in SARS-CoV-2 positive and negative individuals at baseline and at follow-up. Out of the initial n = 3,083 participants that answered at baseline in July 2021, n = 900 (mean age of 46.4 years, 70.1% women) completed the follow-up in December 2021. With time, more individuals reported fatigue (+ 9.4%), headache (+ 9.0%), insomnia (+ 2.3%), cognitive impairment (+ 1.4%), stress/burnout (+ 8.8%), pain (+ 8.3%), digestive symptoms (+ 3.6%), dyspnea (+ 1.0%), and cough (+ 7.7%) compared to baseline, with a differentially larger increase in symptoms in the SARS-CoV-2 negative group. Individuals had more functional impairment (12.7% at baseline and 23.9% at follow-up), with more absenteeism and worsening quality of life. Healthcare workers are potentially suffering from long term consequences of the pandemic burden, calling for urgent action and solutions.
Green fabrication of chitosan nanoparticles using Lavendula angustifolia, optimization, characterization and in‑vitro antibiofilm activity
Authors: El-Naggar Noura El-Ahmady , Eltarahony Marwa , Hafez Elsayed E. , Bashir Shimaa I. 
Published: July 2023

AbstractChitosan nanoparticles (CNPs) are promising polymeric nanoparticles with exceptional physicochemical, antimicrobial and biological characteristics. The CNPs are preferred for a wide range of applications in the food industry, cosmetics, agriculture, medical, and pharmaceutical fields due to their biocompatibility, biodegradability, eco-friendliness, and non-toxicity. In the current study, a biologically based approach was used to biofabricate CNPs using an aqueous extract of Lavendula angustifolia leaves as a reducing agent. The TEM images show that the CNPs were spherical in shape and ranged in size from 7.24 to 9.77 nm. FTIR analysis revealed the presence of several functional groups, including C–H, C−O, CONH2, NH2, C–OH and C–O–C. The crystalline nature of CNPs is demonstrated by X-ray diffraction. The thermogravimetric analysis revealed that CNPs are thermally stable. The CNPs' surface is positively charged and has a Zeta potential of 10 mV. For optimising CNPs biofabrication, a face-centered central composite design (FCCCD) with 50 experiments was used. The artificial intelligence-based approach was used to analyse, validate, and predict CNPs biofabrication. The optimal conditions for maximum CNPs biofabrication were theoretically determined using the desirability function and experimentally verified. The optimal conditions that maximize CNPs biofabrication (10.11 mg/mL) were determined to be chitosan concentration 0.5%, leaves extract 75%, and initial pH 4.24. The antibiofilm activity of CNPs was evaluated in‑vitro. The results show that 1500 μg/mL of CNPs suppressed P. aeruginosa, S. aureus and C. albicans biofilm formation by 91.83 ± 1.71%, 55.47 ± 2.12% and 66.4 ± 1.76%; respectively. The promising results of the current study in biofilm inhibition by necrotizing biofilm architecture, reducing its significant constituents and inhibiting microbial cell proliferation encourage their use as natural biosafe and biocompatible anti-adherent coating in antibiofouling membranes, medical bandage/tissues and food packaging materials.
Development of a prognostic nomogram for patients with malignant mesothelioma with bone metastasis
Authors: Yang Awen , Tang Bin , Liu Xuan , He Jingxuan , Yan Qun , Liang Xianghui , Liu Wenen 
Published: July 2023

AbstractMalignant mesothelioma (MM) is a rare aggressive tumor, and bone metastasis often occurs in later stages of this disease. This study aimed to establish a nomogram to predict the prognosis of bone metastasis of patients with MM. Data from the Surveillance, Epidemiology, and End Results database were screened and retrieved. This study included 311 patients with MM with bone metastases. Prognostic factors were analyzed using the Kaplan–Meier method and Cox proportional hazards model. A nomogram for overall survival (OS) was established and evaluated using statistically significant prognostic factors, and cancer-specific survival (CSS) analysis was performed to investigate its prognostic factors. In addition, the metastasis patterns of patients with MM were investigated, and the effects of different sites of metastasis on survival were compared using the Kaplan–Meier method. Age, sex, histological type, and chemotherapy were identified as the independent risk factors for OS. The 1-, 2-, and 3-year areas under the curve of the nomogram were 0.792, 0.774, and 0.928, and 0.742, 0.733, and 0.733 in the training and validation sets, respectively. Compared to OS, histological type, radiotherapy, and chemotherapy were independent risk factors for CSS. Different metastatic sites in MM have significantly different effects on prognosis.
Contactless quasi-steady-state photoconductance (QSSPC) characterization of metal halide perovskite thin films
Authors: Grimm Benjamin , Wolter Sascha J. , Schmidt Jan 
Published: July 2023

AbstractWe apply the contactless quasi-steady-state photoconductance (QSSPC) method to co-evaporated methyl ammonium lead iodide (MAPbI3) perovskite thin-films. Using an adapted calibration for ultralow photoconductances, we extract the injection-dependent carrier lifetime of the MAPbI3 layer. The lifetime is found to be limited by radiative recombination at the high injection densities applied during the QSSPC measurement, enabling the extraction of the electron and hole mobility sum in the MAPbI3 using the known coefficient of radiative recombination of MAPbI3. Combining the QSSPC measurement with transient photoluminescence measurements, performed at much lower injection densities, we obtain the injection-dependent lifetime curve over several orders of magnitude. From the resulting lifetime curve, we determine the achievable open-circuit voltage of the examined MAPbI3 layer.
Using microsatellite data to estimate the persistence of field-level yield gaps and their drivers in smallholder systems
Authors: Paliwal Ambica , Balwinder-Singh  , Poonia Shishpal , Jain Meha 
Published: July 2023

AbstractOne way to meet growing food demand is to increase yields in regions that have large yield gaps, including smallholder systems. To do this, it is important to quantify yield gaps, their persistence, and their drivers at large spatio-temporal scales. Here we use microsatellite data to map field-level yields from 2014 to 2018 in Bihar, India and use these data to assess the magnitude, persistence, and drivers of yield gaps at the landscape scale. We find that overall yield gaps are large (33% of mean yields), but only 17% of yields are persistent across time. We find that sowing date, plot area, and weather are the factors that most explain variation in yield gaps across our study region, with earlier sowing associated with significantly higher yield values. Simulations suggest that if all farmers were able to adopt ideal management strategies, including earlier sowing and more irrigation use, yield gaps could be closed by up to 42%. These results highlight the ability of micro-satellite data to understand yield gaps and their drivers, and can be used to help identify ways to increase production in smallholder systems across the globe.
Functionalized maghemite superparamagnetic iron oxide nanoparticles (γ-Fe2O3-SPIONs)-amylase enzyme hybrid in biofuel production
Authors: Abouelkheir Samia S. , Ibrahim Hassan A. H. , Beltagy Ehab A. 
Published: July 2023

AbstractThe current study describes a straightforward, biologically and environmentally friendly method for creating magnetic iron oxide (γ-Fe2O3) nanoparticles. We report here that theBacillus subtilisSE05 strain, isolated from offshore formation water near Zaafarana, the Red Sea, Hurghada, Egypt, can produce highly magnetic iron oxide nanoparticles of the maghemite type (γ-Fe2O3). To the best of our knowledge, the ability of this bacterium to reduce Fe2O3has yet to be demonstrated. As a result, this study reports on the fabrication of enzyme-NPs and the biological immobilization of α-amylase on a solid support. The identified strain was deposited in GenBank with accession number MT422787. The bacterial cells used for the synthesis of magnetic nanoparticles produced about 15.2 g of dry weight, which is considered a high quantity compared to the previous studies. The XRD pattern revealed the crystalline cubic spinel structure of γ-Fe2O3. TEM micrographs showed the spherically shaped IONPs had an average size of 7.68 nm. Further, the importance of protein-SPION interaction and the successful synthesis of stabilized SPIONs in the amylase enzyme hybrid system are also mentioned. The system showed the applicability of these nanomaterials in biofuel production, which demonstrated significant production (54%) compared to the free amylase enzyme (22%). Thus, it is predicted that these nanoparticles can be used in energy fields.
A novel method of rapid detection for heavy metal copper ion via a specific copper chelator bathocuproinedisulfonic acid disodium salt
Authors: Wang Yali , Ma Tinglin , Brake Joseph , Sun Zhaoyue , Huang Jiayu , Li Jing , Wu Xiaobin 
Published: July 2023

AbstractThe extensive usage and production of copper may lead to toxic effects in organisms due to its accumulation in the environment. Traditional methods for copper detection are time consuming and infeasible for field usage. It is necessary to discover a real-time, rapid and economical method for detecting copper to ensure human health and environmental safety. Here we developed a colorimetric paper strip method and optimized spectrum method for rapid detection of copper ion based on the specific copper chelator bathocuproinedisulfonic acid disodium salt (BCS). Both biological assays and chemical methods verified the specificity of BCS for copper. The optimized reaction conditions were 50 mM Tris–HCl pH 7.4, 200 µM BCS, 1 mM ascorbate and less than 50 µM copper. The detection limit of the copper paper strip test was 0.5 mg/L by direct visual observation and the detection time was less than 1 min. The detection results of grape, peach, apple, spinach and cabbage by the optimized spectrum method were 0.91 μg/g, 0.87 μg/g, 0.19 μg/g, 1.37 μg/g and 0.39 μg/g, respectively. The paper strip assays showed that the copper contents of grape, peach, apple, spinach and cabbage were 0.8 mg/L, 0.9 mg/L, 0.2 mg/L, 1.3 mg/L and 0.5 mg/L, respectively. These results correlated well with those determined by inductively coupled plasma-mass spectrometry (ICP-MS). The visual detection limit of the paper strip based on Cu-BCS-AgNPs was 0.06 mg/L. Our study demonstrates the potential for on-site, rapid and cost-effective copper monitoring of foods and the environment.
Cratonic basins as effective sediment barriers in continent-scale sediment routing systems of Paleozoic North America
Authors: Stevens Goddard Andrea L. , Thurston Olivia G. , Malone David H. , McLaughlin Patrick I. , Stewart Jack 
Published: July 2023

AbstractProvenance studies demonstrate the important control of plate boundary mountain building on continental sediment routing systems. Less well understood is if subsidence and uplift in cratons also has the potential to affect the organization of sediment routing systems on continental scales. New detrital zircon provenance data from the Michigan Basin in the Midcontinent of North America preserve evidence of intrabasin provenance heterogeneity in Cambrian, Ordovician, and middle Devonian strata. These results suggest that cratonic basins serve as effective sediment barriers that prevent mixing within and across basins from 10 to 100 s of millions of years. Internal sediment mixing, sorting, and dispersal may be achieved by a combination of sedimentary processes and inherited low relief topography. These observations are consistent with provenance data sets from eastern Laurentian Midcontinent basins that show locally and regionally variable provenance signatures during the early Paleozoic. By the late Devonian, provenance signatures throughout the basins homogenized, consistent with the emergence of transcontinental sediment transport systems associated with Appalachian orogenesis at the plate margin. These results demonstrate the importance of cratonic basins on local and regional sediment routing systems suggesting that these features may impede the integration of continental-scale sediment routings systems, particularly during periods of plate margin quiescence.
Evaluation of medication regimen complexity as a predictor for mortality
Authors: Sikora Andrea , Devlin John W. , Yu Mengyun , Zhang Tianyi , Chen Xianyan , Smith Susan E. , Murray Brian , Buckley Mitchell S. , Rowe Sandra , Murphy David J. 
Published: July 2023

AbstractWhile medication regimen complexity, as measured by a novel medication regimen complexity-intensive care unit (MRC-ICU) score, correlates with baseline severity of illness and mortality, whether the MRC-ICU improves hospital mortality prediction is not known. After characterizing the association between MRC-ICU, severity of illness and hospital mortality we sought to evaluate the incremental benefit of adding MRC-ICU to illness severity-based hospital mortality prediction models. This was a single-center, observational cohort study of adult intensive care units (ICUs). A random sample of 991 adults admitted ≥ 24 h to the ICU from 10/2015 to 10/2020 were included. The logistic regression models for the primary outcome of mortality were assessed via area under the receiver operating characteristic (AUROC). Medication regimen complexity was evaluated daily using the MRC-ICU. This previously validated index is a weighted summation of medications prescribed in the first 24 h of ICU stay [e.g., a patient prescribed insulin (1 point) and vancomycin (3 points) has a MRC-ICU = 4 points]. Baseline demographic features (e.g., age, sex, ICU type) were collected and severity of illness (based on worst values within the first 24 h of ICU admission) was characterized using both the Acute Physiology and Chronic Health Evaluation (APACHE II) and the Sequential Organ Failure Assessment (SOFA) score. Univariate analysis of 991 patients revealed every one-point increase in the average 24-h MRC-ICU score was associated with a 5% increase in hospital mortality [Odds Ratio (OR) 1.05, 95% confidence interval 1.02–1.08, p = 0.002]. The model including MRC-ICU, APACHE II and SOFA had a AUROC for mortality of 0.81 whereas the model including only APACHE-II and SOFA had a AUROC for mortality of 0.76. Medication regimen complexity is associated with increased hospital mortality. A prediction model including medication regimen complexity only modestly improves hospital mortality prediction.
Effects of altitudes on secondary metabolite contents of Origanum majorana L.
Authors: Öner Emel Karaca , Yeşil Meryem 
Published: July 2023

AbstractAltitude is an important ecological factor that significantly affects essential oil content, yield and composition. In this study, conducted to examine the effects of altitude on essential oil content and composition of O. majorana, plant samples were collected from the southern region of Türkiye at the beginning of flowering period from seven different altitudes (766 m, 890 m, 968 m, 1079 m, 1180 m, 1261 m and 1387 m) at 100 m intervals. The highest percentage of essential oil (6.50%) obtained by hydro-distillation was determined at 766 m altitudes. The GC–MS analyses revealed that low altitude affected some essential oil components positively. The linalool ratio, which is the major component of the essential oil of O. majorana species, was the highest at 766 m (79.84%) altitudes. Borneol, linalool oxide, trans-linalool oxide, caryophyllene, a-humulene, germacrene-D and bicyclogermacrene components yielded high values at 890 m altitudes. Thymol and α-terpineol, which have an important place in the essential oil composition, increased at 1180 m altitudes; a-terpinene, cis-sabinene hydrate, terpinene-4-ol and carvacrol increased at 1387 m altitudes.
Predictive power of non-identifiable models
Authors: Grabowski Frederic , Nałęcz-Jawecki Paweł , Lipniacki Tomasz 
Published: July 2023

AbstractResolving practical non-identifiability of computational models typically requires either additional data or non-algorithmic model reduction, which frequently results in models containing parameters lacking direct interpretation. Here, instead of reducing models, we explore an alternative, Bayesian approach, and quantify the predictive power of non-identifiable models. We considered an example biochemical signalling cascade model as well as its mechanical analogue. For these models, we demonstrated that by measuring a single variable in response to a properly chosen stimulation protocol, the dimensionality of the parameter space is reduced, which allows for predicting the measured variable’s trajectory in response to different stimulation protocols even if all model parameters remain unidentified. Moreover, one can predict how such a trajectory will transform in the case of a multiplicative change of an arbitrary model parameter. Successive measurements of remaining variables further reduce the dimensionality of the parameter space and enable new predictions. We analysed potential pitfalls of the proposed approach that can arise when the investigated model is oversimplified, incorrect, or when the training protocol is inadequate. The main advantage of the suggested iterative approach is that the predictive power of the model can be assessed and practically utilised at each step.
An fNIRS investigation of novel expressed emotion stimulations in schizophrenia
Authors: Wang Cuiyan , Zhang Yueqian , Lim Lam Ghai , Cao Weiqi , Zhang Wei , Wan Xiaoyang , Fan Lijun , Liu Ying , Zhang Xi , Tian Zengjie , Liu Xiaojun , Pan Xiuzhi , Zheng Yuan , Pan Riyu , Tan Yilin , Zhang Zhisong , McIntyre Roger S. , Li Zhifei , Ho Roger C. M. , Tang Tong Boon 
Published: July 2023

AbstractLiving in high expressed emotion (EE) environments tends to increase the relapse rate in schizophrenia (SZ). At present, the neural substrates responsible for high EE in SZ remain poorly understood. Functional near-infrared spectroscopy (fNIRS) may be of great use to quantitatively assess cortical hemodynamics and elucidate the pathophysiology of psychiatric disorders. In this study, we designed novel low- (positivity and warmth) and high-EE (criticism, negative emotion, and hostility) stimulations, in the form of audio, to investigate cortical hemodynamics. We used fNIRS to measure hemodynamic signals while participants listened to the recorded audio. Healthy controls (HCs, $$n=42$$

n
=
42

) showed increased hemodynamic activation in the major language centers across EE stimulations, with stronger activation in Wernicke’s area during the processing of negative emotional language. Compared to HCs, people with SZ ($$n=41$$

n
=
41

) exhibited smaller hemodynamic activation in the major language centers across EE stimulations. In addition, people with SZ showed weaker or insignificant hemodynamic deactivation in the medial prefrontal cortex. Notably, hemodynamic activation in SZ was found to be negatively correlated with the negative syndrome scale score at high EE. Our findings suggest that the neural mechanisms in SZ are altered and disrupted, especially during negative emotional language processing. This supports the feasibility of using the designed EE stimulations to assess people who are vulnerable to high-EE environments, such as SZ. Furthermore, our findings provide preliminary evidence for future research on functional neuroimaging biomarkers for people with psychiatric disorders.