bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparative evaluation of the antifungal efficacy of sodium hypochlorite, chlorhexidine, and silver nanoparticles against Candida albicans
Authors: Oncu Aysenur , Celikten Berkan , Aydın Betül , Amasya Gulin , Açık Leyla , Sevimay Fatma Semra
Published: October 2022

Candida albicans is a microorganism that causes root canal infections. However, it cannot be eliminated with conventional irrigation solutions. Recently, silver nanoparticles (AgNPs) have become popular for their superior antimicrobial effects. The purpose of this study was to evaluate the antifungal effect of AgNPs to C. albicans comparing with 5.25% sodium hypochlorite (NaOCl) and 2% chlorhexidine (CHX). Silver nanoparticles were synthesized by chemical reduction method. Minimum inhibitory concentration and minimum fungicidal concentration of AgNPs against C. albicans strain were determined according to microdilution method reported by Clinical Laboratory Standards Institute. C. albicans biofilm layer was formed on the dentin blocks for 10 days. The biofilm structure was observed by scanning electron microscopy. Statistical analysis was performed with one way analysis of variance analysis and group comparisons were performed with Tukey test. AgNPs showed the highest antifungal effect among the groups. 5.25% NaOCl showed the lowest antifungal effect among the groups. While the 2% CHX solution had a statistically lower antifungal effect than AgNPs, it was found to have a higher effect than NaOCl (p < .016). Nanoparticles present a wide research field as an alternative irrigation solution in root canal treatment. The antifungal effect of AgNPs against C. albicans was confirmed in this study. Further in vivo studies should evaluate the conditions of use and long‐term prognosis of AgNPs.
How should we address the inevitable harms from non‐negligent variant reclassification in predictive genetic testing?
Authors: Rashkin Misha , Kingham Kerry , Lara‐Otero Karlena , Mckenna Meghan , Villiers Janelle , Worthington Monty Mykolas , Prince Anya
Published: October 2022

The process of interpreting genetic variants, in which experts use all available evidence to determine whether an identified variant is associated with a current or future disease, is both scientific and nevertheless subjective. In this paper, we summarize the existing evidence that any given variant could be reclassified and that such a reclassification could lead to harm. Furthermore, the racial gap in genetic databases could lead to a higher likelihood of harm for non‐white patients. We also review recent legal analyses indicating it is unlikely that an individual who sues for restitution would be successful, especially in the absence of evidence of lab negligence. We then propose a compensation program for medical genetic tests to ensure that individuals who experience demonstrable harm due to a variant reclassification can be made whole financially. We conclude by discussing outstanding questions that must be answered for such a program to be feasible.
Factor structure of the 10‐item CES‐D Scale among patients with persistent COVID‐19
Authors: Ramírez‐Vélez Robinson , Olabarrieta‐Landa Laiene , Rivera Diego , Izquierdo Mikel
Published: October 2022

The presence of persistent coronavirus disease 2019 (COVID‐19) might be associated with significant levels of psychological distress that would meet the threshold for clinical relevance. The Center for Epidemiologic Studies Depression Scale (CES‐D) version 10 has been widely used in assessing psychological distress among general and clinical populations from different cultural backgrounds. To our knowledge, however, researchers have not yet validated these findings among patients with persistent COVID‐19. A cross‐sectional validation study was conducted with 100 patients from the EXER‐COVID project (69.8% women; mean (±standard deviation) ages: 47.4 ± 9.5 years). Confirmatory factor analyses (CFAs) were performed on the 10‐item CES‐D to test four model fits: (a) unidimensional model, (b) two‐factor correlated model, (c) three‐factor correlated model, and (d) second‐order factor model. The diagonal‐weighted least‐squares estimator was used, as it is commonly applied to latent variable models with ordered categorical variables. The reliability indices of the 10‐item CES‐D in patients with persistent COVID‐19 were as follows: depressive affect factor (; ), somatic retardation factor (; ), and positive affect factor (; ). The second‐order model fit showed good Omega reliability (). Regarding CFAs, the unidimensional‐factor model shows poor goodness of fit, especially residuals analysis (root mean square error of approximation [RMSEA] = 0.081 [95% confidence interval, CI = 0.040–0.119]; standardized root mean square residual [SRMR] = 0.101). The two‐factor correlated model, three‐factor correlated model, and second‐order factor model showed adequate goodness of fit, and the χ2 difference test () did not show significant differences between the goodness of fit for these models (; p = 0.127). Several indices showed a good fit with the three‐factor correlated model: goodness‐of‐fit index = 0.974, comparative fit index = 0.990, relative noncentrality index = 0.990, and incremental fit index = 0.990, which were all above 0.95, the traditional cut‐off establishing adequate fit. On the other hand, RMSEA = 0.049 (95% CI = 0.000–0.095), where an RMSEA < 0.06–0.08 indicates an adequate fit. Item loadings on the factors were statistically significant (; p's < 0.001), indicating that the items loaded correctly on the corresponding factors and the relationship between factors (; p's ≤ 0.001. To our knowledge, this is the first study to provide validity and reliability to 10‐item CES‐D in a persistent COVID‐19 Spanish patient sample. The validation and reliability of this short screening tool allow us to increase the chance of obtaining complete data in a particular patient profile with increased fatigue and brain fog that limit patients' capacity to complete questionnaires.
Multiple sampling methods to develop indices of mid‐trophic levels abundance in open ocean ecosystems
Authors: Escobar‐Flores Pablo C. , Décima Moira , O'Driscoll Richard L. , Ladroit Yoann , Roberts Jim
Published: October 2022

Mid‐trophic level (MTL) organisms play a key role in the sub‐Antarctic ecosystem food web, linking primary producers and tertiary consumers transferring energy across trophic levels. In this region, the relative abundance of MTLs has been monitored using single‐frequency acoustic data collected opportunistically in a time series of trawl surveys carried out in the austral late spring/early summer. To advance this approach, we developed a methodology that enabled us to disaggregate multifrequency acoustic data into three different MTL groups to assess their temporal and spatial patterns: mesopelagic fish, gelatinous zooplankton (excluding pyrosomes), and euphausiids. We used acoustic data and biological sampling information collected with two midwater trawl nets from a dedicated voyage, to train a classification tree algorithm. We complemented these data with footage from an in‐trawl camera system that gave us new insights on vertical distribution and presence of pelagic taxa. The testing dataset used to implement our classification algorithm was a time series of acoustic data from the sub‐Antarctic trawl survey. This approach was successful at disaggregating acoustic data and provided useful information to study the relative abundance and temporal and spatial patterns of pelagic taxa. Our analysis revealed the presence of dense shallow layers of gelatinous zooplankton which showed a statistically significant increasing trend over the time series. Although we were unable to detect pyrosomes acoustically, we encountered large biovolumes of these organisms during our biological sampling, which was supported by the in‐trawl camera system.
All‐Aqueous, Surfactant‐Free, and pH‐Driven Nanoformulation Methods of Dual‐Responsive Polymer Nanoparticles and their Potential use as Nanocarriers of pH‐Sensitive Drugs
Authors: Lechuga‐Islas Víctor D. , Trejo‐Maldonado Melisa , Anufriev Ilya , Nischang Ivo , Terzioğlu İpek , Ulbrich Jens , Guerrero‐Santos Ramiro , Elizalde‐Herrera Luis E. , Schubert Ulrich S. , Guerrero‐Sánchez Carlos
Published: October 2022

All‐aqueous, surfactant‐free, and pH‐driven nanoformulation methods to generate pH‐ and temperature‐responsive polymer nanoparticles (NPs) are described. Copolymers comprising a poly(methyl methacrylate) (PMMA) backbone with a few units of 2‐(dimethylamino)ethyl methacrylate (DMAEMA) are solubilized in acidic buffer (pH 2.0) to produce pH‐sensitive NPs. Copolymers of different molar mass (2.3–11.5 kg mol−1) and DMAEMA composition (7.3–14.2 mol%) are evaluated using a “conventional” pH‐driven nanoformulation method (i.e., adding an aqueous polymer solution (acidic buffer) into an aqueous non‐solvent (basic buffer)) and a robotized method for pH adjustment of polymer dispersions. Dynamic light scattering, zeta‐potential (ζ), and sedimentation‐diffusion analyses suggest the formation of dual‐responsive NPs of tunable size (from 20 to 110 nm) being stable for at least 28 days in the pH and temperature intervals from 2.0 to 6.0 and 25 to 50 °C, respectively. Ultraviolet‐visible spectroscopic experiments show that these NPs can act as nanocarriers for the pH‐sensitive dipyridamole drug, expanding its bioavailability and potential controlled release as a function of pH and temperature. These approaches offer alternative strategies to prepare stimuli‐responsive NPs, avoiding the use of harmful solvents and complex purification steps, and improving the availability of biocompatible polymer nanoformulations for specific controlled release of pH‐sensitive cargos.
Using representational and abstract imagery to create regulatory fit effects
Authors: Naletelich Kelly , Ketron Seth , Spears Nancy , Gelves J. Alejandro
Published: October 2022

Visual imagery is one of the most important methods of communicating with consumers, but scholars have generally neglected the role of different forms of visual imagery (representational and abstract). Further, the motivation to engage with and process representational versus abstract imagery has also remained underexamined despite the important role that motivation, particularly stemming from regulatory focus, plays in the consumer domain. Therefore, we demonstrate that prevention‐focused versus promotion‐focused mindsets guide the interpretation of meanings conveyed by representational versus abstract visual imagery as a nonverbal means to achieve regulatory fit. Four experimental studies— including one controlled laboratory experiment and one online behavioral response study—show that when representational imagery is matched with a prevention‐focused and abstract imagery with a promotion‐focused mindset or framed message, consumer outcomes are enhanced. Further, we find that perceived risk mediates the results for those with a prevention focus and departure from the status quo for those with a promotion focus.
Gene polymorphisms of cyclin‐dependent kinase inhibitor and matrix metalloproteinase‐9 in Sudanese patients with esophageal squamous cell carcinoma
Authors: Eltayeb Majdolin Mohammed , Ali Mohamed M. , Omar Saeed M. , Mohamed Nouh Saad , Adam Ishag , Hamdan Hamdan Z.
Published: October 2022

Background

The polymorphisms of the cyclin‐dependent kinase inhibitor (CDKN1A) gene and matrix metalloproteinase‐9 (MMP9) gene may increase one's susceptibility to malignancies. In this study, the association of the single nucleotide polymorphisms (SNPs) CDKN1A rs1059234 c.70C>T at the 3′ untranslated region and MMP9 rs17576 (c.836A>G, p.Gln279Arg) with esophageal squamous cell carcinoma (ESCC) in Sudanese individuals were investigated.

Materials and Methods

A case‐control study involving age‐ and gender‐matched groups were conducted in a cancer center in eastern Sudan (Gadarif) between April and October 2020. The case group consisted of ESCC patients, whereas the control group comprised healthy subjects. Polymerase chain reaction‐restriction fragment length polymorphism was performed for the genotyping of the CDKN1A rs1059234 and MMP9 rs17576 SNPs. The genotyping results were confirmed by Sanger sequencing.

Results

The genotype distributions for CDKN1A rs1059234 and MMP9 rs17576 were in agreement with the Hardy–Weinberg equilibrium. The variant allele T in CDKN1 rs1059234 c.70C>T was significantly more prevalent in the ESCC patients than in the healthy controls [51.3% vs. 19.2%; OR = 4.4; 95% CI (2.6–7.4); p < 0.001]. Moreover, in CDKN1A rs1059234, the genotype TC + TT [76.9% vs. 38.4%; OR = 5.3; 95% CI (2.6–10.7); p < 0.001] was more frequent in the cases than in the controls, and it was significantly associated with ESCC risk. In MMP9 rs17576, the variant allele G was also significantly prevalent in the cases relative to the controls, and it was significantly associated with increased ESCC risk in the cases compared with the controls [27.5% vs. 1.9%; OR = 19.4; 95%CI (5.8–64.1); p < 0.001]. Both genotypes containing the allele G (AG + GG) were the most common genotypes in the cases [48.7% vs. 3.8%; OR = 23.7; 95%CI (6.8–81.7); p < 0.001], and they significantly increased the risk of ESCC.

Conclusion

A significant increase in ESCC risk is associated with the SNPs CDKN1A rs1059234 and MMP9 rs17576.
Numerical approach for coupled systems resulting from pricing of derivatives: Modeling and pricing of installment options
Authors: Heidari Saghar
Published: October 2022

In this paper, we proposed Markov‐modulated models to value vanilla European‐style continuous‐installment options with a numerical approach. The flexibility in installment options to paying installments or stopping payments makes these options more attractive to holders. We consider regime‐switching models for the dynamic of the underlying asset; in this way, the pricing problem of installment options can be formulated as coupled partial differential equations with free boundary features, which in many ways is similar to the free boundary problem for vanilla American options due to the possibility of early exercise. To value the installment options in this model, we express the problem as a linear complementarity problem (LCP), then we apply a finite element method as the numerical solving procedure to the resulting variational inequality. We illustrate some numerical results to examine the suitability of the proposed model and the accuracy of the applied numerical method for the pricing problem of installment options.
Design and demonstration of a 2.5D frequency‐selective surface for sub‐6 GHz 5G wireless communication
Authors: Katoch Kanishka , Jaglan Naveen , Gupta Samir D. , Abdollahvand Mousa , Sharawi Mohammad S.
Published: October 2022

This paper presents an ultraminiaturized bandstop closed‐loop 2.5D frequency‐selective surface (FSS) for sub‐6 GHz 5G wireless communication. Four metallic vertical vias interconnect metallic elements present on both sides of the substrate to form a modified closed‐loop design. The proposed structure band stops the entire sub‐6 GHz 5G band (C‐band/NR N78 band/LTE 42/43 band) ranging from 3.2 to 3.9 GHz with a resonant notch at 3.62 GHz. This design supports polarization insensitivity and procures maximum relative deviation of 0.5% and 0.2% at 80°incident transverse electric (TE) and transverse magnetic (TM) polarized waves, respectively. The proposed FSS prototype has been fabricated and tested. Experimentally, the resonant notch is obtained at 3.55 and 3.68 GHz under TE and TM normal incident polarized waves, respectively. Moreover, good agreement in the frequency response curves is observed between simulated and measured results. The proposed unit cell is 3.6 × 3.6 mm2 in dimensions, which is 0.04λ × 0.04λ, where λ is the resonant wavelength.
Callable products for an implicit time model with dependent demands
Authors: Gallego Guillermo , Lee Haengju
Published: October 2022

Capacity providers such as airlines and hotels have traditionally increased revenues by practicing market segmentation and revenue management, enabling them to sell the same capacity pool to different consumers at different prices. Callable products can enhance profits and improve consumers' welfare by allowing the firm to broker capacity between consumers with different willingness to pay. A consumer who buys a callable product gives the capacity provider the right to recall capacity at a prespecified recall price. This article studies callable products in the context of the model most commonly used in industry, which handles time implicitly imposing fewer restrictions on the nature of randomness compared to the Poisson arrival process favored in academia. In the implicit time model, capacity providers set booking limits to protect capacity for future high‐fare demand. Our numerical study identifies conditions where callable products result in significant gains in profits.
MR‐Nucleomics: The study of pathological cellular processes with multinuclear magnetic resonance spectroscopy and imaging in vivo
Authors: Sun Peng , Wu Zhigang , Lin Liangjie , Hu Geli , Zhang Xiaoxiao , Wang Jiazheng
Published: October 2022

Clinical medicine has experienced a rapid development in recent decades, during which therapies targeting specific cellular signaling pathways, or specific cell surface receptors, have been increasingly adopted. While these developments in clinical medicine call for improved precision in diagnosis and treatment monitoring, modern medical imaging methods are restricted mainly to anatomical imaging, lagging behind the requirements of precision medicine. Although positron emission tomography and single photon emission computed tomography have been used clinically for studies of metabolism, their applications have been limited by the exposure risk to ionizing radiation, the subsequent limitation in repeated and longitudinal studies, and the incapability in assessing downstream metabolism. Magnetic resonance spectroscopy (MRS) or spectroscopic imaging (MRSI) are, in theory, capable of assessing molecular activities in vivo, although they are often limited by sensitivity. Here, we review some recent developments in MRS and MRSI of multiple nuclei that have potential as molecular imaging tools in the clinic.
Cranial deformation in the northwestern Caspian Sea region in the Bronze Age: Siberian parallels
Authors: Kazarnitsky Aleksey A. , Gromov Andrey V. , Uchaneva Evgeniia N. , Pugacheva Ekaterina V.
Published: October 2022

This research examined the occipitoparietal deformations of the Early Bronze Age skulls from the southern European part of Russia and the similarities between those deformations and head modifications among the population of the Okunev culture in Southern Siberia. The study objects used were 3D models of neurocrania from 41 individuals retrieved from Early Bronze Age graves in the northwestern Caspian Sea region and 64 individuals from the Okunev graves. Analyses, of the skull shape variations, included geometric morphometrics, generalized Procrustes analysis, and principal component analysis with visualization of morphological changes as heat maps. Statistically significant differences between the subgroups were tested by performing dispersion analysis (ANOVA) using the Geomorph package. The samples of Early Bronze Age skulls from the southern European part of Russia showed differences between deformed and non‐deformed skulls, as well as differences in the location of the deformed regions in both males and females. The differences between chronological groups turned out to be stronger than the difference between undeformed and deformed skulls in the Okunev samples. The next analysis focused only on the Okunev deformed skulls involving a study and assessment of the differences in the types of deformation between the early and late subgroups. The final analysis demonstrated similarities between the Bronze Age male deformed neurocrania from the northwestern Caspian Sea region and those from the early Okunev culture. The study confirmed the occipitoparietal flattening on the Bronze Age skulls from the southern European part of Russia using geometric morphometrics. This skull deformation finds analogies among deformed male neurocrania from the early chronological horizons of the Okunev culture. The similarity of head modifications in populations from different geographical regions indicates contact between these populations. This is confirmed by archaeological data and nonmetric cranial traits.
Degradable Schiff base benzoxazine thermosets with high glass transition temperature and its high‐performance epoxy alloy: Synthesis and properties
Authors: Liu Lele , Wang Fan , Zhu Yaping , Qi Huimin
Published: October 2022

Benzoxazines have been widely used in many fields, such as the aerospace, electronics, and automotive industries; however, these resins exhibit nonrecyclable nature and limited strength (for their brittleness). Introducing reversible covalent bonds in benzoxazines is expected to address these issues. Herein, two‐benzene‐ring‐conjugated Schiff‐base benzoxazine was successfully synthesized using a designed strategy. Using this strategy, possible side reactions, such as the transimination of the Schiff‐base, were prevented when preparing the target product via the traditional Mannich reaction. The cured benzoxazine could chemically degrade under acidic conditions and it undergoes controllable degradation when the temperature, acidity, and solvent are changed. The synthesized benzoxazine forms noticeable liquid crystals when heated to its melting point. Its glass transition temperature also reaches 265°C and the char yield at 800°C is 60.8%, considerably higher than that of traditional bisphenol A‐aniline based benzoxazine (BA‐a). Upon blending with epoxy (EP), the mechanical properties of the copolymers are significantly improved. With increasing benzoxazine content, the tensile strength of the copolymers increases from 63.6 to 95.2 MPa, an increase of ~50%. The rigid Schiff‐base structure is uniformly incorporated into the crosslinked network of EP and the EP curing agent via a transimination reaction during curing, thereby significantly improving the tensile modulus and strength of the composite material.
Enhanced bamboo interfacial bonding performance on the basis of toughening phenol formaldehyde resin by flour
Authors: Jiang Haochong , Du Yuting , Wang Jinhui , Cao Yizhong , Jin Chunde , Yan Yutao
Published: October 2022

Phenol formaldehyde (PF) resin adhesive is the most commonly used adhesive in bamboo gluing due to its excellent bonding strength and durability. However, its high brittleness after curing could cause stress concentration at the bonding interface between PF resin and bamboo, which seriously affect the bonding performance. In this study, different quantity of flour was incorporated into PF resin adhesive and homogeneous processed, the toughening effect and mechanism of the flour on PF resin together with the influence on the bonding strength were fully investigated. Differential scanning calorimeter analysis indicated that flour could make the curing reaction of PF resin much milder. Fracture morphology characterization of PF resin by scanning electron microscopy showed that the flour had good dispersibility and compatibility in PF resin adhesive, which could directly contribute to the mechanical properties of PF resin specimens by forming a ductile fracture. When 10 wt% flour was incorporated, the flexural and impact strength increased by 83.42% and 92.01% compared with the pure PF resin, respectively. The decreased quantity and size of the cracks in cured PF resins on bamboo surface after the incorporation of flour observed by Ultra‐depth‐of‐field microscope and quasi‐static nanoindentation of bonding interface proved that flour could effectively toughen the PF resin and reduce the formation of defects and cracks inside the resin, thus improve the bonding strength. Correspondingly, the bonding strength of the PF resin adhesive glued bamboo strips increased by 14.5% when 10 wt% flour was added into the PF resin.
Phenotypic and transcriptomic analysis reveals early stress responses in transgenic rice expressing Arabidopsis DREB1a
Authors: Berchembrock Yasmin Vasques , Pathak Bhuvan , Maurya Chandan , Botelho Flávia Barbosa Silva , Srivastava Vibha
Published: October 2022

Overexpression of Arabidopsis dehydration response element binding 1a (DREB1a) is a well‐known approach for developing salinity, cold and/or drought stress tolerance. However, understanding of the genetic mechanisms associated with DREB1a expression in rice is generally limited. In this study, DREB1a‐associated early responses were investigated in a transgenic rice line harboring cold‐inducible DREB1a at a gene stacked locus. Although the function of other genes in the stacked locus was not relevant to stress tolerance, this study demonstrates DREB1a can be co‐localized with other genes for multigenic trait enhancement. As expected, the transgenic lines displayed improved tolerance to salinity stress and water withholding as compared with non‐transgenic controls. RNA sequencing and transcriptome analysis showed upregulation of complex transcriptional networks and metabolic reprogramming as DREB1a expression led to the upregulation of multiple transcription factor gene families, suppression of photosynthesis, and induction of secondary metabolism. In addition to the detection of previously described mechanisms such as production of protective molecules, potentially novel pathways were also revealed. These include jasmonate, auxin, and ethylene signaling, induction of JAZ and WRKY regulons, trehalose synthesis, and polyamine catabolism. These genes regulate various stress responses and ensure timely attenuation of the stress signal. Furthermore, genes associated with heat stress response were downregulated in DREB1a expressing lines, suggesting antagonism between heat and dehydration stress response pathways. In summary, through a complex transcriptional network, multiple stress signaling pathways are induced by DREB1a that presumably lead to early perception and prompt response toward stress tolerance as well as attenuation of the stress signal to prevent deleterious effects of the runoff response.
Organic triplets as free radical pairs: Everything old is new again
Authors: Baird N. Colin
Published: October 2022

More than a half‐century ago, Michael Dewar devised a theoretical construct whereby the aromatic stabilization of conjugated hydrocarbon rings could be analyzed by imagining them to be formed by combining free radical chains. From the analysis, he also predicted that the rings would reverse their aromaticity in their first excited states. By taking the construct more literally, we were able to calculate the ground state‐to‐triplet energies of twisted conjugated polyenes and to elaborate upon the rules of aromaticity and anti‐aromaticity for hydrocarbon rings. In the present publication, we point out that the spin densities of the triplet states of polybenzenoid hydrocarbons closely mimic those expected for free radicals, and that to some extent, the relative energies of their isomers can be understood in terms of interacting free radical networks.
Arbuscular mycorrhizal fungal‐induced tolerance is determined by fungal identity and pathogen density
Authors: Bell Christopher A. , Magkourilou Emily , Barker Helen , Barker Anthony , Urwin Peter E. , Field Katie J.
Published: October 2022

Societal Impact Statement

Plant‐parasitic nematodes are a major concern for global food security, and many existing control options are being phased out due to adverse impacts on the environment. Here, we show that although application of arbuscular mycorrhizal fungi (AMF) increases host tolerance to these parasites, these benefits decrease as the parasite burden increases, limiting long‐term benefits. This effect was consistent between experiments in the glasshouse and in the field environment, demonstrating the relevance of research into usable technologies. Our findings have potential to aid decision making regarding application of AMF inocula for optimum results in agricultural systems.

Plant‐parasitic nematodes are a leading global threat to crop production and food security aims. Control strategies based on nematicides and fertilisers are increasingly undesirable due to economic and environmental impacts. Arbuscular mycorrhizal fungi (AMF) may induce host tolerance against pests such as the potato cyst nematode (PCN).

Here, we determined the impact of PCN density on the tolerance induced by AMF‐host interactions. Additionally, we evaluated the effects of five AMF inocula on PCN fitness though glasshouse and field trials.

Greater PCN densities reduce the increased tolerance that AMF may confer on their hosts. This may be due to reduced mycorrhizal colonisation of hosts under higher PCN infection and potentially a threshold at which the presence of PCN severely impacts fungal growth. When tested in the field, the outcomes of AMF inoculation on crop yields were still positive. Inoculation of soil in the field also increased PCN multiplication, suggesting that AMF‐induced tolerance may become reduced in the near future when the threshold PCN density is reached.

Addition of AMF to agricultural soils may provide a short‐term benefit yet lead to a long‐term detriment by increasing PCN populations. The effects observed were driven by only one out of the five introduced AMF species, indicating that the remaining species were redundant for this application. This raises important considerations for future application of AMF inocula in agricultural systems and aids our understanding of how widely used ‘beneficial’ soil amendments impact the agricultural ecosystem.
Accuracy of elastic fusion biopsy: Comparing prostate cancer detection between targeted and systematic biopsy
Authors: Oderda Marco , Albisinni Simone , Benamran Daniel , Calleris Giorgio , Ciccariello Mauro , Dematteis Alessandro , Diamand Romain , Descotes Jean‐Luc , Fiard Gaelle , Forte Valerio , Giacobbe Alessandro , Marquis Alessandro , Marra Giancarlo , Messas Aurel , Muto Giovanni , Peltier Alexandre , Rius Leire , Simone Giuseppe , Roumeguere Thierry , Faletti Riccardo , Gontero Paolo
Published: October 2022

Introduction

When performing targeted biopsy (TBx), the need to add systematic biopsies (SBx) is often debated. Aim of the study is to evaluate the added value of SBx in addition to TBx in terms of prostate cancer (PCa) detection rates (CDR), and to test the concordance between multiparametric magnetic resonance imaging (mpMRI) findings and fusion biopsy results in terms of cancer location.

Methods

We performed a retrospective, multicentric study that gathered data on 1992 consecutive patients who underwent elastic fusion biopsy between 2011 and 2020. A standardized approach was used, with TBx (2–4 cores per target) followed by SBx (12–14 cores). We assessed CDR of TBx, of SBx, and TBx+SBx for all cancers and clinically significant PCa (csPCa), defined as ISUP score ≥2. CDR was evaluated according to radiological and clinical parameters, with a particular focus on PI‐RADS 3 lesions. In a subgroup of 1254 patients we tested the discordance between mpMRI findings and fusion biopsy results in terms of cancer location. Uni‐ and multivariable logistic regression analyses were performed to identify predictors of CDR.

Results

CDR of TBx+SBx was 63.0% for all cancers and 38.8% of csPCa. Per‐patient analysis showed that SBx in addition to TBx improved CDR by 4.5% for all cancers and 3.4% for csPCa. Patients with lesions scored as PI‐RADS 3, 4, and 5 were diagnosed with PCa in 27.9%, 72.8%, and 92.3%, and csPCa in 10.7%, 43.6%, and 69.3%, respectively. When positive, PI‐RADS 3 lesions were ISUP grade 1 in 61.1% of cases. Per‐lesion analysis showed that discordance between mpMRI and biopsy was found in 56.6% of cases, with 710 patients having positive SBx outside mpMRI targets, of which 414 (58.0%) were clinically significant. PSA density ≥0.15 was a strong predictor of CDR.

Conclusions

The addition of systematic mapping to TBx contributes to a minority of per‐patient diagnoses but detects a high number of PCa foci outside mpMRI targets, increasing biopsy accuracy for the assessment of cancer burden within the prostate. High PSA‐density significantly increases the risk of PCa, both in the whole cohort and in PI‐RADS 3 cases.
The thelytokous strain of the parasitoid Neochrysocharis formosa outperforms the arrhenotokous strain in reproductive capacity and biological control of agromyzid leafminers
Authors: Ye Fuyu , Yang Yuemei , Zhang Yibo , Pan Liting , Yefremova Zoya , Yang Liyan , Guo Jianyang , Liu Wanxue
Published: October 2022

BACKGROUND

Both arrhenotoky (sexual reproduction of females and asexual reproduction of males) and thelytoky (asexual reproduction of females) occur within the order Hymenoptera. The existence of both thelytokous and arrhenotokous strains within one species provides an opportunity to compare the biocontrol efficiency between two reproductive modes. The parasitoid Neochrysocharis formosa (Westwood) (Hymenoptera: Eulophidae) has thelytokous and arrhenotokous strains with sympatric distributions. This parasitoid is used to control invasive leafminers through feeding, stinging, and parasitization. To compare the biocontrol efficiency of the two strains, we analyzed life tables and host‐killing parameters of these two strains reared on the leafminer Liriomyza sativae Blanchard using the age‐stage, two‐sex life table and the CONSUME‐MSChart software.

RESULTS

Our results showed that the intrinsic rate of increase (r), finite rate of increase (λ), and net reproduction rate (R0) of the thelytokous strain were significantly higher than those of the arrhenotokous strain. The thelytokous females also performed better than the arrhenotokous females for the net host‐feeding rate, net host‐stinging rate, and net host‐killing rate, but not the finite parasitism rate. Conclusively, the finite host‐killing rate of the thelytokous strain (0.8720 ± 0.0516) was significantly higher than that of the arrhenotokous strain (0.5914 ± 0.0832).

CONCLUSION

We concluded that thelytokous N. formosa is a better candidate as a biocontrol agent than arrhenotokous N. formosa to control leafminers. Our results shed light on how to choose a better biocontrol agent for integrated pest management (IPM) based on biological control, especially for co‐occurring thelytokous and arrhenotokous parasitoids. © 2022 Society of Chemical Industry.
Aphid‐repellent, ladybug‐attraction activities, and binding mechanism of methyl salicylate derivatives containing geraniol moiety
Authors: Yang Zhao‐Kai , Qu Cheng , Pan Shi‐Xiang , Liu Yan , Shi Zhuo , Luo Chen , Qin Yao‐Guo , Yang Xin‐Ling
Published: October 2022

BACKGROUND

Aphids have been mainly controlled by traditional chemical insecticides, resulting in unamiable risk to the environment over the last decades. Push–pull strategy is regarded as a promising eco‐friendly approach for aphid management through repelling aphid away and attracting their natural enemy. Methyl salicylate (MeSA), one of typical HIPVs (herbivore‐induced plant volatiles), can repel aphids and attract ladybugs. Our previous studies discovered a new lead compound 3e, a salicylate‐substituted carboxyl (E)‐β‐farnesene derivative that had effective aphid‐repellent activity. However, whether 3e has attractive activity to ladybug like MeSA is unknown. Meanwhile, to discover a new derivative for both deterring aphid and recruiting ladybug is meaningful for green control of aphids.

RESULTS

Through the structural optimization of 3e, 14 new derivatives were designed and synthesized. Among them, compounds 4e and 4i had good aphid (Acyrthosiphon pisum) repellent activity, and compounds 3e, 4e and 4i had significant ladybug (Harmonia axyridis) attractive activity to males. Particularly, 4i exhibited manifest attractive effect on the females as well. Binding mechanism showed that 4i not only bound effectively with the aphid (Acyrthosiphon pisum) target ApisOBP9 thanks to its multiple hydrophobic interactions and hydrogen‐bond, but also had strong binding affinity with ladybug target HaxyOBP15 due to the suitable steric space. Additionally, 4i displayed low toxicity to bee Apis mellifera.

CONCLUSION

Compound 3e does exhibit attractive activity to male ladybug as MeSA. However, the new derivative 4i, with both pleasant aphid‐repellent and ladybug‐attraction activities, can be considered as a novel potential push–pull candidate for aphid control in sustainable agriculture. © 2022 Society of Chemical Industry.
Anticancer Evaluation of Some New 4β‐Imidazolopodophyllotoxin ‐Aromatic Amides
Authors: Nagavath Rajkumar , Nukala Satheesh Kumar , Sagam Ravikumar Reddy , Sirassu Narsimha , Guguloth Veeranna , Kamarajugadda Pavan , Paidakula Suresh , Thirukovela Narasimha Swamy
Published: October 2022

Herein, we described the synthesis of some new aromatic amides of 4β‐imidazolopodophyllotoxin (6 a–p) and their anticancer evaluation against four human cancer cell lines like MCF‐7 (breast), A549 (lung), Hela (cervical) and DU‐145 (prostate). Out of all, compounds 6 d, 6 e, 6 g, 6 i, 6 j, 6 l, 6 n and 6 o were found to be active with IC50 values in the range of 0.59‐10 μM. Specifically, compound 6 o showed greater potency against all the cell lines than the standard etoposide. Predominantly, compounds 6 e, 6 j and 6 o observed to be 3 to 4 times more potent against DU‐145 than the standard. The molecular docking studies of three active compounds 6 e, 6 j and 6 o on target protein DNA topoisomerase II were also conducted and found that binding affinity and free energies obtained were in good covenant with the corresponding IC50 values. Finally, the results of in silico ADMET revealed that, compounds 6 e, 6 j and 6 o have shown 100 % intestinal absorption and none of them exhibited AMES and hepato toxicity.
Looking beyond Adsorption Energies to Understand Interactions at Surface using Machine Learning
Authors: Agarwal Sheena , Joshi Kavita
Published: October 2022

Identifying factors that influence interactions at the surface is still an active area of research. In this work, the importance of analyzing bond length activations (BLact) along with adsorption energies (Ea) while interpreting Density Functional Theory (DFT) results is emphasized. Investigating adsorption of different small molecules, such as O2, N2, CO, and CO2, on commonly studied facets ((100), (110), and (111)) of seven fcc transition metal surfaces (M=Ag, Au, Cu, Ir, Rh, Pt, and Pd) demonstrates the missing linear correlation between Ea and BLact. Further, tree based Machine Learning (ML) models reinforce the missing linear correlation between the two parameters and also highlight the importance of analyzing both to develop a better understanding of adsorption at surfaces. The best performing Random Forest models have a mean absolute error (MAE) of 0.19 eV for Ea prediction, and even lower MAE of 0.012 Å  for BLact prediction. While often d‐band center is correlated with Ea, our observations show that infact the d‐band center has a better correlation with BLact. These observations emphasizes the role of BLact in gaining a fuller picture for catalysis. The fact that the factors responsible for BLact is a lesser‐explored subject adds to the novelty of the findings.
Deciphering the Molecular Mechanism of Inhibition of β‐Secretase (BACE1) Activity by a 2‐Amino‐imidazol‐4‐one Derivative
Authors: Kaur Gurmeet , Goyal Bhupesh
Published: October 2022

The β‐site amyloid precursor protein‐cleaving enzyme 1 (β‐secretase, BACE1) is a prominent drug target amongst all other targets of Alzheimer's disease (AD) as it is involved in the rate‐determining step of amyloid‐β (Aβ) production. Fan et al. identified 2‐amino‐imidazol‐4‐one derivative L5 as a potent inhibitor of BACE1 (IC50=0.12 μM, logP=2.49). However, it remains unclear how L5 inhibits the BACE1 activity. In this work, atomistic molecular dynamics (MD) simulations have been carried out to explore the interaction mechanism of L5 with BACE1. The molecular docking analysis highlighted strong binding (−9.1 kcal/mol) of L5 with the active site residues of BACE1. MD simulations revealed hydrogen bonds and hydrophobic contacts of L5 with the BACE1 active pocket residues control the dynamics of the flap and assist to attain the closed (non‐active) conformation. The binding free energy analysis depicted strong interaction of L5 with BACE1 (▵Gbinding=−34.6±3.6 kcal/mol) and highlighted the significant contribution of the active pockets, aspartic dyad, and flap residues of BACE1 in the binding with L5. The free energy landscape (FEL) analysis highlighted a close flap conformation in the lowest energy conformation of BACE1‐L5 complex as compared to open flap (active) conformation in apo‐BACE1. The study reveals the interaction mechanism of L5 with BACE1, which will be helpful for the structure‐based design of potent inhibitors against BACE1.
Mn‐Modified Graphitic Carbon Nitride‐Supported Bimetallic PtNi Nanoparticles for Hydrogen Generation from Hydrous Hydrazine
Authors: Zheng Junning , Liang Yu , Li Gui , Jin Biyu , Wan Chao , Ye Mingfu , Xu Lixin
Published: October 2022

Mn‐modification, as a method of material element modification, has a vital efficacy on the structure of materials, providing abundant active sites for the loading of metal nanoparticles. Herein, highly dispersed PtNi nanoparticles deposited on Mn‐modified graphitic carbon nitride (g‐C3N4) was synergistically constructed by a facile and valid impregnation reduction method. Interestingly, among all the tested samples, the obtained Pt0.6Ni0.4/(MnOx)2‐C3N4 display perfect catalytic activity towards decomposition of hydrous hydrazine to produce hydrogen in alkaline solution, with the value of turnover frequency (TOF) is 2749 h−1 at 323 K. Simultaneously, the as‐synthetic catalyst remains outstanding hydrogen selectivity and stability after five recycles. This work proposes a novel strategy for structural modification catalysts to enhance the catalytic performance for dehydrogenation of hydrous hydrazine.
Nafion/Aquivion‐Based Composite Lithium Ion Exchange Membranes for High Capacity Li‐S Batteries
Authors: Dombaycıoğlu Şeyma , Günsel Hilal , Aydın Ali Osman
Published: October 2022

Lithiated Nafion (Li‐Naf) and lithiated Aquivion (Li‐Aqu) ion exchange membranes are applied as electrolyte and separator to prevent the polysulfide shuttle effect in Li−S batteries. The production and characterization of Li‐Naf, Li‐Aqu, and their composites (2 : 1, 1 : 1, and 1 : 2; w/w) are carried out. The ion exchange capacity and polysulfide transition of the produced membranes are examined and structural characterizations are conducted via Fourier transform infrared spectroscopy (FTIR), X‐ray diffraction (XRD), thermogravimetric analysis (TGA) and field emission scanning electron microscopy (FESEM). CR2032 half cells are assembled in order to perform electrochemical analysis. The electrochemical performances of the membranes are investigated by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic charge‐discharge tests. Due to the low equivalent weight of Aquivion, the ion exchange capacity and ionic conductivity of the membrane enhance with the increasing amount of Li‐Aqu in the composite membrane. Because of the synergistic effect of Nafion and Aquivion, Li‐Naf : Li‐Aqu/1 : 2 composite offers 61.2 % capacity retention and the best electrochemical discharge capacity of 826 mAhg−1 after 100 charge‐discharge cycles. As a result, Nafion and Aquivion composite membranes can successfully inhibit the shuttle movement of negatively charged polysulfide species while allowing the transition of positively charged lithium ions for high performed Li−S batteries.
Tuning the Properties of Metal‐Organic Cages through Platinum Nanoparticle Encapsulation
Authors: Shi Hua‐Tian , Luo Shi‐Ting , Ma Hui‐Rong , Yu Weibin , Wei Xianwen
Published: October 2022

Metal‐organic cages (MOCs) are promising candidates for drug deliveries, catalysis, and host‐guest systems. In addition, their own finite cavities can control to the sizes and shapes of metal nanoparticles (MNPs), leading to promote their catalytic performance. Herein, we used half‐sandwich rhodium moieties with pyridyl ligands through coordination‐driven self‐assembly strategy and bridged‐unit (tpphz)‐mediated host‐guest complex formation in concert to produce a sufficient cavity with about 2.0 nm of size that facilitate to prepare controllably sizes and shapes of MNPs. Specifically, a metal‐organic cage1, containing robust ligands (tpeb) and bridged units, has been successfully synthesized and fully characterized by several spectroscopic techniques. Its final structure was unambiguously confirmed by single‐crystal X‐ray diffraction (SCXRD). The pyridyl ligand units of1underwent noncovalent complexation with platinum nanoparticles to yield a Pt‐NPs@1 under UV‐visible irradiation of K2PtCl6. Moreover, UV and CV were carried out to determine the redox properties of1and Pt‐NPs@1, finding that Pt‐NPs@1has a good redox property. Therefore, the supramolecular composites were used as catalysis for degradation of dye stuffs in aqueous solution, exhibiting good selectivity and activity.
Nanoengineering a Zeolitic Imidazolate Framework‐8 Capable of Manipulating Energy Metabolism against Cancer Chemo‐Phototherapy Resistance
Authors: Lu Shuaijun , Tian Hailong , Li Lei , Li Bowen , Yang Mei , Zhou Li , Jiang Hao , Li Qiong , Wang Weihua , Nice Edouard C. , Xie Na , Huang Canhua , Liu Lin
Published: October 2022

Chemo‐phototherapy has emerged as a promising approach to complement traditional cancer treatment and enhance therapeutic effects. However, it still faces the challenges of drug efflux transporter‐mediated chemoresistance and heat shock proteins (HSPs)‐mediated phototherapy tolerance, which both depend on an excessive supply of adenosine triphosphate. Therefore, manipulating energy metabolism to impair the expression or function of P‐glycoprotein (P‐gp) and HSPs may be a prospective strategy to reverse cancer therapeutic resistance. Herein, a chondroitin sulfate (CS)‐functionalized zeolitic imidazolate framework‐8 (ZIF‐8) chemo‐phototherapy nanoplatform (CS/ZIF‐8@A780/DOX NPs) is rationally designed that is capable of manipulating energy metabolism against cancer therapeutic resistance by integrating the photosensitizer IR780 iodide (IR780)‐conjugated atovaquone (ATO) (A780) and the chemotherapeutic agent doxorubicin (DOX). Mechanistically, ATO and zinc ions that are released in the acidic tumor microenvironment can lead to systematic energy exhaustion through disturbing mitochondrial electron transport and the glycolysis process, thus suppressing the activity of P‐gp and HSP70, respectively. In addition, CS is used on the surface of ZIF‐8@A780/DOX NPs to improve the targeting capability to tumor tissues. These data provide an efficient strategy for manipulating energy metabolism for cancer treatment, especially for overcoming cancer chemo‐phototherapy resistance.