bluuebunny/crossref_metadata_2025_split huggingface dataset:
Perspective: It is time to consider new ways to attack unpesticidable (undruggable) target sites by designing peptide pesticides
Authors: Gressel Jonathan 
Published: January 2022

AbstractEvolved resistance and regulatory deregistration have severely limited farmers' pesticide options. Many potential new pesticide target sites have been elucidated using targeted gene suppression and mutational tools, but few small molecules could be found that inhibit the target enzymes; the targets were considered ‘undruggable’. Some organisms from all biological kingdoms use toxic peptides to ward off or kill enemies, and the agrochemical industry has used a few peptide analogs (glufosinate and bialophos) for field application. Conversely, pharmaceutical scientists have been using three‐dimensional target protein structure to discover and synthesize short peptides that bind tightly to the surfaces of, and inhibit previously undruggable targets. New computational tools to quickly elucidate 3‐D protein structure from amino acid sequence have just emerged. They replace crystallizing target proteins and performing X‐ray crystallography to elucidate 3‐D structure. These new tools allow prediction of peptides that will bind to the target proteins. They have further modified such peptides to enhance penetration, translocation and temperature stability. There is reason to assume that the same pioneering techniques can be used to develop peptide pesticides as well as pesticide synergists that act against undruggable targets and have excellent environmental and toxicological profiles. © 2022 Society of Chemical Industry.
Local Photothermal Effect Enabling Ni3Bi2S2 Nanoarray Efficient Water Electrolysis at Large Current Density
Authors: Yao Dongxue , Hao Weiju , Weng Shuo , Hou Meiling , Cen Wanglai , Li Guisheng , Chen Ziliang , Li Yongtao 
Published: January 2022

AbstractIn terms of the large‐scale hydrogen production by water electrolysis, achieving the bifunctional electrocatalyst with high efficiency and stability at high current densities is of great significance but still remains a grand challenge. To address this issue, herein, one unique hybrid electrode is synthesized with the local photothermal effect (LPTE) by supporting the novel ternary nickel (Ni)bismuth (Bi)sulfur (S) nanosheet arrays onto nickel foam (Ni3Bi2S2@NF) via a one‐pot hydrothermal reaction. The combined experimental and theoretical observations reveal that owing to the intrinsic LPTE action of Bi, robust phase stability of Ni3Bi2S2 as well as the synergistic effect with hierarchical configuration, upon injecting the light, the as‐prepared Ni3Bi2S2 exhibits remarkably improved efficiency of 44% and 35% for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively. Such enhanced values are also comparable to those performed in working media heated to 80 °C. In addition, the overall water splitting system by using Ni3Bi2S2@NF as bifunctional electrodes only delivers an ultralow voltage of 1.40 V at 10 mA cm−2 under LPTE, and can be stable more than 36 h at 500–1000 mA cm−2. More broadly, even worked at 0–5 °C, alkaline simulated seawater and high salt seawater, the electrodes still show apparent LPTE effect for improving catalytic efficiency.
Characterization of the panel zone shear behaviour in steel beam‐to‐column joints
Authors: Corman Adrien , Demonceau Jean‐François , Jaspart Jean‐Pierre 
Published: January 2022

AbstractNominated for the Eurosteel 2021 Best Paper AwardThis short report has been prepared in the context of the Eurosteel 2021 Best Paper Award. It summarizes developments completed and in progress at the University of Liège designed to characterize the complete shear behaviour of the panel zone in steel beam‐to‐column joints in terms of stiffness, resistance and ductility. This work is part of a larger research project which aims to predict the complete rotational response of the joint to failure.
Heterologous overexpression and preliminary antimicrobial activity test of salmocin M, a novel colicin M-like bacteriocin against Salmonella sp.
Authors: Łojewska Ewelina , Sakowicz Tomasz , Korycka-Machała Małgorzata , Kowalczyk Tomasz 
Published: January 2022

AbstractCurrently, it is extremely important to identify and describe new alternative compounds with potential antimicrobial properties. Since various natural biological systems are capable of producing active compounds with such properties, many of them have been the subject of intensive study. The aim of this work was to heterologously overexpress, purify and preliminarily investigate the antimicrobial activity of a novel bacteriocin found in Salmonella species. Overexpressed protein shows an amino acid structure homologous to the well-known colicin M and was never expressed previously in the E. coli platform. Purified salmocin M showed an inhibition spectrum against Salmonella and E. coli strains. To determine its potential as an antimicrobial agent for use in medicine or the food industry, preliminary antimicrobial tests against pathogenic bacteria were carried out. Our research demonstrates that bacteriocin can be produced efficiently in bacterial expression systems, which are one of the cheapest and the most popular platforms for recombinant protein production. Moreover, preliminary results of microbiological tests showed its activity against most of the bacterial strains in a dose-dependent manner.
Graphical abstract
Effects of docosanyl ferulate, a constituent of Withania somnifera, on ethanol- and morphine-elicited conditioned place preference and ERK phosphorylation in the accumbens shell of CD1 mice
Authors: Maccioni Riccardo , Serra Marcello , Marongiu Jacopo , Cottiglia Filippo , Maccioni Elias , Bassareo Valentina , Morelli Micaela , Kasture Sanjay B. , Acquas Elio 
Published: January 2022

Abstract
Background
Docosanyl ferulate (DF) is a behaviourally active GABAA receptor complex (GABAAR) agonist, recently isolated from the standardized methanolic extract of Withania somnifera Dunal (WSE) root. Previous studies have shown that WSE prevents both ethanol- and morphine-dependent acquisition and expression of conditioned place preference (CPP) and stimulation of dopamine release in the nucleus accumbens shell (AcbSh).

Aims
The study aimed at determining (a) whether DF contributes to WSE’s ability to affect the acquisition and expression of ethanol- and morphine-elicited CPP and, given that phosphorylation of extracellular signal-regulated kinase (pERK) in the AcbSh is involved in associative learning and motivated behaviours, (b) whether WSE and DF may affect ethanol- and morphine-induced ERKs phosphorylation in the AcbSh.

Methods
In adult male CD1 mice, DF’s effects on the acquisition and expression of ethanol- and morphine-elicited CPP were evaluated by a classical place conditioning paradigm, whereas the effects of WSE and DF on ethanol- and morphine-elicited pERK in the AcbSh were evaluated by immunohistochemistry.

Results and conclusions
The study shows that DF, differently from WSE, affects only the acquisition but not the expression of ethanol- and morphine-induced CPP. Moreover, the study shows that both WSE and DF can prevent ethanol- and morphine-elicited pERK expression in the AcbSh. Overall, these results highlight subtle but critical differences for the role of GABAARs in the mechanism by which WSE affects these ethanol- and morphine-dependent behavioural and molecular/cellular responses and support the suggestion of WSE and DF for the control of different components of drug addiction.
Two-stage exchange for PJI with co-existing cerclages for fracture: higher rates of early re-infections and difficult to treat microbes
Authors: Karczewski Daniel , Müllner Maximilian , Hipfl Christian , Perka Carsten , Müller Michael 
Published: January 2022

Abstract
Introduction
Periprosthetic joint infections (PJI) with osteosynthesis material for contemporaneous fractures are a challenging, yet poorly described condition. This study will analyze PJI with co-existing fractures treated with cerclages and two-stage exchange.

Materials and methods
Patients with and without cerclages for coexisting periprosthetic fractures, undergoing two-stage exchange for PJI of hip or knee, between 06/2013 and 02/2016, were compared concerning baseline characteristics and re-infection rate in the course of a 2 year follow-up. All patients were treated with a standardized two-stage protocol. A PJI was defined according to the EBJIS criteria. All foreign material, including cerclages, was sent in for sonication for microbiological analysis.

Results
Ninety-six patients treated with two-stage exchange for PJI could be included. Co-existing fractures treated with cerclage were identified in nine patients (9.3%, study group). Diaphyseal femoral simple in five cases (AO2A3) and proximal intertrochanteric in three cases (AO1A3) were the leading fracture locations. In one patient, cerclage implantation was performed prior to prosthesis explantation, in six, during prosthesis explantation, and in two, in the course of prosthesis reimplantation. The study group showed a significantly higher rate of difficult to treat microbes (44.4%; 8.0%; p = .001), Charlson Comorbidity Index (5.4; 3.7; p = .033), relapse infections with the same microbe (22.2%; 1.1%; p = .001), and early-onset infections (< 30 days) (11.1%; 1.1%; p = .046), than the comparison two-stage exchange group without fractures. In contrast, age (72.5 study group; 68.2 comparison group; p = .224), rate of revisions for PJI in the past (55.5%; 51.7%; p = .827), and total re-infection rate (22.2%; 10.3%; p = .287) did not show a difference.

Conclusion
PJI with co-existing cerclages for fractures were associated with multi-resistant microbes, relapse by the same microbe and early-onset re-infections. Cerclages might be considered a potential source of re-infection during a two-stage exchange. However, statistical weaknesses and a small study group must be considered limitations of the study.
Screening for polystyrene nanoparticle toxicity on kidneys of adult male albino rats using histopathological, biochemical, and molecular examination results
Authors: Ahmed Yasmine H. , El-Naggar Mehrez E. , Rashad Maha M. , M.Youssef Ahmed , Galal Mona K. , Bashir Dina W. 
Published: January 2022

AbstractPolystyrene Nanoparticles (PS-NPs) used for packaging foam, disposable cups, and food containers. Therefore, this study aimed to evaluate PS- NPs toxic effects on kidney of adult male albino rats. A total of 30 rats divided into three groups (n = 10): group I negative control group; group II orally administered 3% PS-NPs (3 mg/kg body weight/day) and group III orally administered 3% PS-NPs (10 mg/kg body weight/day) for 35 days. Blood and kidney samples collected and processed for biochemical, histopathological, and immunohistochemical examinations. Results showed that low and high doses PS-NPs had significantly increased serum blood urea nitrogen (BUN), creatinine, malondialdehyde, significantly further reduced glutathione, downregulation of nuclear factor erythroid 2–related factor 2 and glutathione peroxidase, upregulation of caspase-3 and Cytochrome-c. Histopathological examination revealed several alterations. Low dose of PS-NPs exhibited dilated glomerular capillaries, hypotrophy of some renal corpuscles significantly decreases their diameter to 62 μm. Some proximal convoluted tubules and distal convoluted tubules showed loss of cellular architecture with pyknotic nuclei. Hyalinization and vacuolation in renal medulla. In high dose PS-NPs, alterations increased in severity. A significant increase in percentage area of cyclooxygenase-2 in low and high-doses. In conclusion, PS-NPs are a nephrotoxic causing renal dysfunction.
The influence of layer and voxel geological modelling strategy on groundwater modelling results
Authors: Enemark Trine , Andersen Lærke T. , Høyer Anne-Sophie , Jensen Karsten H. , Kidmose Jacob , Sandersen Peter B. E. , Sonnenborg Torben O. 
Published: January 2022

AbstractReliable groundwater model predictions are dependent on representative models of the geological environment, which can be modelled using several different techniques. In order to inform the choice of the geological modelling technique, the differences between a layer modelling approach and a voxel modelling approach were analyzed. The layer model consists of stratigraphically ordered surfaces, while the voxel model consists of a structured mesh of volumetric pixels. Groundwater models based on the two models were developed to investigate their impact on groundwater model predictions. The study was conducted in the relatively data-dense area Egebjerg, Denmark, where both a layer model and a voxel model have been developed based on the same data and geological conceptualization. The characteristics of the two methodologies for developing the geological models were shown to have a direct impact on the resulting models. The differences between the layer and the voxel models were, however, shown to be diverse and not related to larger conceptual elements, with few exceptions. The analysis showed that the geological modelling approaches had an influence on preferred parameter values and thereby groundwater model predictions of hydraulic head, groundwater budget terms and particle tracking results. A significance test taking into account the predictive distributions showed, that for many predictions, the differences between the models were significant. The results suggest that the geological modelling strategy has an influence on groundwater model predictions even if based on the same geological conceptualization.
Introduction of IgM testing for the diagnosis of acute Lyme borreliosis: a study of the benefits, limitations and costs
Authors: Joyner Greg , Mavin Sally , Milner Rachel , Lim Chin 
Published: January 2022

AbstractTesting for IgM antibodies to Borrelia burgdorferi in Scottish patients with suspected Lyme borreliosis was introduced in 2018 to supplement the IgG testing already in situ. Results from 2018 to 2020 were assessed alongside available clinical data to evaluate the utility of IgM testing in serum. An estimated false positive rate of 25.5% was observed with IgM immunoblot vs 80.1% for IgM chemiluminescent immunoassay (CLIA). IgM testing can aid earlier diagnoses if used within a selective two-tier testing protocol: only patients with acute onset of symptoms should be tested for IgM CLIA but confirmation by immunoblot and consideration of clinical picture is necessary.
Recovering a Black Cemetery: Automated Mapping of Hidden Gravesites Using an sUAV and GIS in East End Cemetery, Richmond, VA
Authors: Spera Stephanie A. , Franklin Matthew S. , Zizzamia Elizabeth A. , Smith Ryan K. 
Published: January 2022

AbstractEstimates suggest that over 15,000 people are buried at East End Cemetery, a historic African American cemetery in Richmond, Virginia, that until recently received no public funding for upkeep. Here, we present a case study analysis and potentially replicable methodology for counting and locating unmarked burial depressions in non-forested areas using a low-cost sUAV (drone) and simple, hydrology-based geographic information systems analyses. Upon visual inspection of 12% of our final 8,000 burial site dataset, we find our dataset is a plausible representation (75% accuracy) of potential grave locations. We hope that the methods presented below can be implemented to assist in reclaiming historically underfunded Black cemeteries across the American South.
Itô versus Stratonovich in a stochastic cosmological model
Authors: Escudero Carlos , Manada Carlos 
Published: January 2022

AbstractIn this work, we study a stochastic version of the Friedmann acceleration equation. This model has been proposed in the cosmology literature as a possible explanation of the uncertainty found in the experimental quantification of the Hubble parameter. Its noise has been tacitly interpreted in the Stratonovich sense. Herein, we prove that this interpretation leads to a positive probability of finite-time blowup of the solution, that is, of the Hubble parameter. In contrast, if we just modify the noise interpretation to that of Itô, then the solution globally exists almost surely. Moreover, the expected asymptotic behavior is found under this interpretation too.
Improved and Flexible HDR Editing by Targeting Introns in iPSCs
Authors: Fu Juan , Fu Ya-Wen , Zhao Juan-Juan , Yang Zhi-Xue , Li Si-Ang , Li Guo-Hua , Quan Zi-Jun , Zhang Feng , Zhang Jian-Ping , Zhang Xiao-Bing , Sun Chang-Kai 
Published: January 2022

AbstractHighly efficient gene knockout (KO) editing of CRISPR–Cas9 has been achieved in iPSCs, whereas homology-directed repair (HDR)-mediated precise gene knock-in (KI) and high-level expression are still bottlenecks for the clinical applications of iPSCs. Here, we developed a novel editing strategy that targets introns. By targeting the intron before the stop codon, this approach tolerates reading frameshift mutations caused by nonhomologous end-joining (NHEJ)-mediated indels, thereby maintaining gene integrity without damaging the non-HDR-edited allele. Furthermore, to increase the flexibility and screen for the best intron-targeting sgRNA, we designed an HDR donor with an artificial intron in place of the endogenous intron. The presence of artificial introns, particularly an intron that carries an enhancer element, significantly increased the reporter expression levels in iPSCs compared to the intron-deleted control. In addition, a combination of the small molecules M3814 and trichostatin A (TSA) significantly improves HDR efficiency by inhibiting NHEJ. These results should find applications in gene therapy and basic research, such as creating reporter cell lines.
The Psychological Implications of Companion Robots: A Theoretical Framework and an Experimental Setup
Authors: Massa Nicoletta , Bisconti Piercosma , Nardi Daniele 
Published: January 2022

AbstractIn this paper we present a theoretical framework to understand the underlying psychological mechanism involved in human-Companion Robot interactions. At first, we take the case of Sexual Robotics, where the psychological dynamics are more evident, to thereafter extend the discussion to Companion Robotics in general. First, we discuss the differences between a sex-toy and a Sexual Robots, concluding that the latter may establish a collusive and confirmative dynamics with the user. We claim that the collusiveness leads to two main consequences, such as the fixation on a specific and atypical type of sexual interaction, called paraphilic, and to the infantilization of the user, which we explain through the theoretical framework of “object-relation theory”. We argue that these dynamics may degrade to an infantile stage the relational abilities of users, extending this argument to Companion Robots in general. Then, we enquire if and how the relational dynamics enacted in HRI may shift to human relations: we discuss the analogy with virtual reality concluding that, under certain condition, a symbolic shift might happen. In the last part of this work, we propose an experimental setup to verify if a collusive and confirmative interaction with a Companion Robot can, over time, impact on the user’s ability to manage relational frustration.
Diversify, produce or buy? An analysis of factors contributing to household dietary diversity among shrimp and non-shrimp farmers in coastal Bangladesh
Authors: Bernzen Amelie , Mangnus Ellen , Sohns Franziska 
Published: January 2022

AbstractUntil the Covid-19 pandemic, Bangladesh had reported consistent improvements regarding its food and nutrition security (FNS) status, and yet, the country still features poor FNS outcomes among parts of its population. In rural coastal regions of the Ganges–Brahmaputra-Meghna delta, farming households’ vulnerability is particularly exacerbated by a range of environmental hazards, increasing challenges for agriculture to contribute to higher FNS levels. In the context of existing literature on the trade-offs between subsistence agriculture and cash-earning livelihood activities, vis-à-vis food and nutrition security outcomes, this article assesses the relative contribution of crop diversification vis à vis other factors on the households’ Food Consumption Score (FCS) in specific livelihood contexts. We provide differentiated analyses between primarily export-oriented shrimp farming and non-shrimp farming households, so policy makers can better address FNS targets. Quantitative data from 1,188 sample households across the delta were analysed through descriptive and linear regression analyses. Results show that households cultivating shrimp have a significantly higher dietary diversity than households that do not. Among shrimp farmers, crop diversification has the relatively strongest significant positive effect on dietary diversity, suggesting part of the aquacultural crops are geared towards subsistence. By contrast, crop diversification seems to have a negative effect on dietary diversity among households that do not produce shrimp, especially when different agricultural crops are combined. Importantly, both for shrimp and non-shrimp farmers, crop diversification systems combining agriculture with aquaculture, and agroforestry seem to improve diverse diets among households. While by no means a panacea to solving FNS challenges among rural households, we suggest that promoting specific crop diversification systems could be a beneficial pathway to improved FNS outcomes.
Influence of tolerances on error estimation in P3R and 4R planar mechanisms
Authors: Jaiswal Ankur , Jawale H. P. 
Published: January 2022

AbstractFour-bar linkages form a primitive configuration of many mechanisms. The output of these mechanisms deviates from the desired one due to many factors including tolerance on links. For satisfactory application, the mechanism performance needs to be characterized. This article presents a treatment on the synthesis and analysis of linear-input P3R (1-Prismatic, 3-Revolute) and rotary-input 4R (4-Revolute) planar mechanism configurations, and the estimation of mechanical error under the influence of link tolerances. A detailed methodology is presented for error estimation as part of performance analysis for each mechanism. As an illustrative case, mechanisms are considered to operate under identical output generation conditions and comparative performance evaluation is carried out. Effect of link proportion is studied to investigate the mechanism behavior related to mechanical error. Comparison of error provides the basis for selecting the mechanism that gives better performance. The proposed methodology demonstrates generalized characterization of the mechanical error sources with validation.
Conformal Prediction in Clinical Medical Sciences
Authors: Vazquez Janette , Facelli Julio C. 
Published: January 2022

AbstractThe use of machine learning (ML) and artificial intelligence (AI) applications in medicine has attracted a great deal of attention in the medical literature, but little is known about how to use Conformal Predictions (CP) to assess the accuracy of individual predictions in clinical applications. We performed a comprehensive search in SCOPUS® to find papers reporting the use of CP in clinical applications. We identified 14 papers reporting the use of CP for clinical applications, and we briefly describe the methods and results reported in these papers. The literature reviewed shows that CP methods can be used in clinical applications to provide important insight into the accuracy of individual predictions. Unfortunately, the review also shows that most of the studies have been performed in isolation, without input from practicing clinicians, not providing comparisons among different approaches and not considering important socio-technical considerations leading to clinical adoption.