bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental and computational analysis of the ancestry of an evolutionary young enzyme from histidine biosynthesis
Authors: Kinateder Thomas , Drexler Lukas , Straub Kristina , Merkl Rainer , Sterner Reinhard 
Published: December 2022

AbstractThe conservation of fold and chemistry of the enzymes associated with histidine biosynthesis suggests that this pathway evolved prior to the diversification of Bacteria, Archaea, and Eukaryotes. The only exception is the histidinol phosphate phosphatase (HolPase). So far, non‐homologous HolPases that possess distinct folds and belong to three different protein superfamilies have been identified in various phylogenetic clades. However, their evolution has remained unknown to date. Here, we analyzed the evolutionary history of the HolPase from γ‐Proteobacteria (HisB‐N). It has been argued that HisB‐N and its closest homologue d‐glycero‐d‐manno‐heptose‐1,7‐bisphosphate 7‐phosphatase (GmhB) have emerged from the same promiscuous ancestral phosphatase. GmhB variants catalyze the hydrolysis of the anomeric d‐glycero‐d‐manno‐heptose‐1,7‐bisphosphate (αHBP or βHBP) with a strong preference for one anomer (αGmhB or βGmhB). We found that HisB‐N from Escherichia coli shows promiscuous activity for βHBP but not αHBP, while βGmhB from Crassaminicella sp. shows promiscuous activity for HolP. Accordingly, a combined phylogenetic tree of αGmhBs, βGmhBs, and HisB‐N sequences revealed that HisB‐Ns form a compact subcluster derived from βGmhBs. Ancestral sequence reconstruction and in vitro analysis revealed a promiscuous HolPase activity in the resurrected enzymes prior to functional divergence of the successors. The following increase in catalytic efficiency of the HolP turnover is reflected in the shape and electrostatics of the active site predicted by AlphaFold. An analysis of the phylogenetic tree led to a revised evolutionary model that proposes the horizontal gene transfer of a promiscuous βGmhB from δ‐ to γ‐Proteobacteria where it evolved to the modern HisB‐N.
X‐ray structure and mechanism of ZgHAD, a l‐2‐haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans
Authors: Grigorian Eugénie , Roret Thomas , Czjzek Mirjam , Leblanc Catherine , Delage Ludovic 
Published: December 2022

AbstractHaloacid dehalogenases are potentially involved in bioremediation of contaminated environments and few have been biochemically characterized from marine organisms. The l‐2‐haloacid dehalogenase (l‐2‐HAD) from the marine Bacteroidetes Zobellia galactanivorans DsijT (ZgHAD) has been shown to catalyze the dehalogenation of C2 and C3 short‐chain l‐2‐haloalkanoic acids. To better understand its catalytic properties, its enzymatic stability, active site, and 3D structure were analyzed. ZgHAD demonstrates high stability to solvents and a conserved catalytic activity when heated up to 60°C, its melting temperature being at 65°C. The X‐ray structure of the recombinant enzyme was solved by molecular replacement. The enzyme folds as a homodimer and its active site is very similar to DehRhb, the other known l‐2‐HAD from a marine Rhodobacteraceae. Marked differences are present in the putative substrate entrance sites of the two enzymes. The H179 amino acid potentially involved in the activation of a catalytic water molecule was confirmed as catalytic amino acid through the production of two inactive site‐directed mutants. The crystal packing of 13 dimers in the asymmetric unit of an active‐site mutant, ZgHAD‐H179N, reveals domain movements of the monomeric subunits relative to each other. The involvement of a catalytic His/Glu dyad and substrate binding amino acids was further confirmed by computational docking. All together our results give new insights into the catalytic mechanism of the group of marine l‐2‐HAD.
Importance of adjuvant formulation properties in predicting wetting on leaf surfaces
Authors: Nairn Justin J , Forster W Alison 
Published: December 2022

AbstractBACKGROUNDLeaf wettability can be a barrier to retention of agrichemical sprays. Adjuvants are used to modify leaf wetting by sprays to enhance retention. A previous study developed a model that accurately predicted nonadjuvant formulation wetting (contact angle) on both synthetic and leaf surfaces. Model inputs were the surface properties, roughness and polarity, as measured by the wetting tension dielectric method, coupled with the formulation properties, surface tension and dielectric constant. Preliminary work has indicated that the wetting ability of adjuvant formulations on different surfaces could be modelled in a similar way if the effect of adjuvants on solution polarity could be accurately quantified.RESULTSThe wetting of nine agrichemical adjuvants, at a range of concentrations, were measured on seven synthetic and 14 leaf surfaces. A novel method was developed to quantify the interfacial dielectric polarity (IDP) of adjuvant formulations. Adjuvant concentration did not change the IDP indicating the surface‐active surfactant molecules migrate to the interface, loading until saturation. Formulation properties of surface tension and IDP were found to be strong predictors of wetting in conjunction with surface properties of the substrate. The previously developed unaltered comprehensive wetting model could predict the wetting of adjuvant formulations on synthetic and leaf surfaces (R2 = 0.9) using these inputs.CONCLUSIONSWetting of adjuvant formulations can be modelled for a wide range of surfaces and this model is expected to advance the selection, and development, of adjuvants to target specific surfaces generating the desired wetting outcome. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Performance of Chouioia cunea reared from a coleopteran alternative host as a biocontrol agent against the invasive lepidopteran pest, Hyphantria cunea
Authors: Li Tian‐Hao , Wang Xingeng , Desneux Nicolas , Song Li‐Wei , Zang Lian‐Sheng 
Published: December 2022

AbstractBACKGROUNDChouioia cunea is a generalist pupal endoparasitoid. Native to Eurasia, the parasitoid has been mass‐reared on an alternative lepidopteran host (Antheraea pernyi) to successfully control the exotic invasive lepidopteran pest Hyphantria cunea in China. To solicit more accessible hosts, this study evaluated the potential of an easily cultured coleopteran beetle (Tenebrio molitor) as a substitute for rearing C. cunea through comparing the relative performance of the parasitoids reared from both alternative hosts on H. cunea.RESULTSCompared with those reared from A. pernyi, the parasitoids reared from T. molitor (i.e., T. molitor vs. A. pernyi groups) performed equally well in terms of parasitism rate (94.4 vs. 88.9%), number of offspring produced per parasitized host (278 vs. 286), and female body length (1.334 vs. 1.351 mm), hind‐tibia length (0.322 vs. 0.324 mm) and number of mature oocytes in the ovarioles (171 vs. 187), or even better based on offspring pre‐emergence time (16.0 vs 16.9 days) and percentages of emerged offspring (99.8 vs. 99.1%) and female offspring (97.1 vs. 91.3%). Flight performance testing indicated that young C. cunea adults emerged from T. molitor had a similar percentage of actively flying wasps (76.9 vs. 72.9%) and a lower percentage of inactive wasps (2.3 vs. 10.6%) when compared to those reared from A. pernyi.CONCLUSIONGiven the remarkable adaptability of C. cunea and the vast availability of T. molitor as a common resource insect worldwide, this indigenous parasitoid could be mass‐reared on T. molitor to improve the prospect of biological control of H. cunea in its invaded regions. © 2022 Society of Chemical Industry.
Chromosome‐level genome assembly of Dastarcus helophoroides provides insights into CYP450 genes expression upon insecticide exposure
Authors: Zhang Zhengqing , Pei Pei , Zhang Meng , Li Feifei , Tang Guanghui 
Published: December 2022

AbstractBACKGROUNDDastarcus helophoroides is an important natural enemy of cerambycids, and is wildly used in biological control of pests. Nevertheless, the absence of complete genomic information limits the investigation of the underlying molecular mechanisms. Here, a chromosome‐level of Dastarcus helophoroides genome is assembled using a combination strategy of Illumina, PacBio, 10x™ Genomics, and Hi‐C.RESULTSThe final assembly is 609.09 Mb with contig N50, scaffold N50 and GC content of 5.46 Mb, 42.56 Mb and 31.50%, respectively, and 95.25% of the contigs anchor into 13 chromosomes. In total 14 890 protein‐coding genes and 65.37% repeat sequences are predicted in the assembly genome. The phylogenetic analysis of single‐copy gene families shared among 20 insect species indicates that Dastarcus helophoroides is placed as the sister species to clade (Nitidulidae+Curculionoidea+Chrysomeloidea) + Tenebrionoidea, and diverges from the related species ~242.9 Mya. In total 36 expanded gene families are identified in Dastarcus helophoroides genome, and are functionally related to drug metabolism and metabolism of xenobiotics by cytochrome P450. Some members of CYP4 Clade and CYP6 Clade are up‐regulated in Dastarcus helophoroides adults upon insecticide exposure, of which expressions of DhCYP4Q, DhCYP6A14X1 and DhCYP4C1 are significantly up‐regulated. The silencing of the three genes leads to adults more sensitive to insecticide and increased knocked‐down rate, which may indicate their critical roles in stress resistance and detoxication.CONCLUSIONOur study systematically integrated the chromosome‐level genome, transcriptome and gene expression of Dastarcus helophoroides, which will provide valuable resources for understanding mechanisms of pesticide metabolism, growth and development, and utilization of the natural enemy in integrated control. © 2022 Society of Chemical Industry.
Evaluation of the pattern of spray released from a moving multicopter
Authors: Chyrva Illia , Jermy Mark , Strand Tara , Richardson Brian 
Published: December 2022

AbstractBACKGROUNDMulticopters are used for releasing particulates seeds, fertilizer and spray. Their low cost and high manoeuvrability make them attractive for spraying in steep terrain and areas where overspray is undesirable. This article describes a model of multicopter wake and its influence on particulate dispersion, which is computationally economical compared to many computational fluid dynamics (CFD) approaches, yet retains reasonable accuracy.RESULTSA model was successfully implemented in OpenFOAM. It features source terms for the rotor wash, Lagrangian particle tracking, an evaporation model, and a porous medium approach to model the effect of the ground vegetation. Predictions were validated against the field tests of Richardson et al. which used a DJI Agras MG‐1 multicopter in three different flights with airspeeds of 3.2–4.9 m s−1, ground speeds of 2.1–2.9 m s−1 and cross‐wind speeds of 0.04–2.2 m s−1. The effective swath width (30% line separation) was predicted to within one standard deviation. Sensitivity to a rotor rotational speed, flight height, flight velocity, multicopter roll and yaw angles, surface roughness length, plant height and leaf density was checked.CONCLUSIONIn all flight trials, the modelled swath was closest to the experimentally obtained swath when the surface roughness of the fetch was equal to 0.5 m (bushes) and the rotational speed of all rotors was equal to 2475 rpm with 0.75R (0.2 m) tall plant canopy (grass) introduced to the model. The model showed acceptable validity for flight velocities of ≤2.8–5 m s−1 when flight parameters can be approximately estimated. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Dynamic response and safety assessment of inner‐wall corroded concrete pipeline in service subjected to blasting vibration
Authors: Cao Huazhang , Jiang Nan , Zhou Chuanbo , Li Haibo , Cai Zhongwei , Huang Yiwen 
Published: December 2022

AbstractBuried pipelines in urban area are prone to corrosion defects for many years. Ensure the safety of buried corrosion pipelines is a key concern during tunnel blasting excavation. Based on the blasting engineering along Shenzhen Metro Line 12, the field test of full‐scale concrete pipeline adjacent blasting was implemented. The dynamic response of concrete pipeline induced by blasting vibration was analyzed by using the dynamic finite element numerical simulation method, and the reliability of numerical simulation was verified by the field monitoring data. On this basis, considering the corrosion defect morphology of pipeline, the distribution characteristics of peak particle velocity and peak effective stress of concrete pipeline with different corrosion depths, corrosion widths, and corrosion lengths induced by blasting vibration were discussed. The parameter analysis method was used to research the influence of corrosion morphology parameters on the dynamic response of the pipeline, and the corrosion depth of the inner‐wall of the pipeline was defined as the main control parameter of the dynamic response. According to the failure criteria of concrete materials, the safety criterion of corroded concrete pipelines with different service years subjected to blasting vibration was established.
Effect of Moringa leaf flavonoids on the production performance, immune system, and rumen fermentation of dairy cows
Authors: Liu Ji , Wang Yan , Liu Ling , Ma Guangming , Zhang Yonggen , Ren Jian 
Published: December 2022

AbstractBackgroundUnreasonable use of antibiotics in animals is a major concern and will remain so, thus affecting people's health. However, the application of plant extracts can better solve this problem.ObjectivesThe purpose of this study was to study the effect of Moringa leaf flavonoids on the production performance, immunity, and rumen fermentation of dairy cows.MethodsNine Holstein multiparous cows (average weight: 550 kg; days of lactation: 150 ± 6 days) were used in the experiment, using a 3 × 3 Latin square design. Cows were divided into three groups, each of which was supplemented with 0, 50, or 100 mg/body weight (BW) Moringa oleifera leaf flavonoids. Each experimental period consisted of three periods of 21 days, and the prefeeding period lasted 15 days.ResultsOur results indicated that supplementation with Moringa leaf flavonoids increased the protein content and decreased the number of somatic cells in milk; had little effect on the biochemical indices of blood, the rumen fermentation, and serum biochemical indicators; and improved the activity of antioxidant enzymes, the antioxidant capacity, and immunity.ConclusionsAddition of 50 mg/BW Moringa leaf flavonoids to cow enhanced the antioxidant and immunity capacity in dairy cows but did not affect physiological levels of common biochemical parameters in blood or fermentation parameters in rumen.
Theoretical and experimental research of edge inclination angle effect on minimum uncut chip thickness in oblique cutting of C45 steel
Authors: Mikołajczyk Tadeusz , Latos Hubert , Szczepaniak Zygmunt , Paczkowski Tomasz , Pimenov Danil Yu. , Giasin Khaled , Kuntoğlu Mustafa 
Published: December 2022

AbstractThe minimum uncut chip thickness (MUCT) is an important phenomenon observed both in orthogonal and oblique cutting. Rounding the cutting edge influences the initiation of the cutting process and chip formation. In a previous study, the authors presented a theoretical analysis and experimental validation on the effect of edge inclination angle λs in the range of 0° to 60° on hmin in radial-free turning of C45 steel. The current work investigated the MUCT hmin in oblique cutting process of C45 steel, for extremely high value of edge inclination angle λs. In this research, a special technique based on milling tool machine using a special tool and sample is presented. Enabled model tests in the unprecedented range of angles λs not used in research to date. The samples were machined using a cutting speed vc = 0.063 m/min. Vertical feed of edge fv was determined by association on the applied sample slope (τ = 0.60–0.85 mm/m) and cutting speed vc. as fv = 37.8—53.5 μm/min. MUCT hmin parameter was measured using compensation for the effects of deformation, based on profilogram analysis. The machining experiments were carried out using a tool with rn = 185 μm. It was found that in the range of angles of 50° ≤ λs ≤ 85°, the MUCT decreases from hmin = 12 μm for λs = 50° to hmin = 4 μm for λs = 85°. Increasing λs by 35° resulted in up to threefold reduction in MUCT. The analysis of the experimental results of hmin for the range of studied λs angle confirmed authors previously reported theory for extreme values of λs. In optimization procedure based on LSM, chip flow angle coefficient was determined as k = 0.75 and critical value of rake angle γcf = -64.8°. This feature provides prediction of results with great accuracy to experimental value. The findings from this study opens the possibility of developing new tools for finishing operations in the field of oblique cutting with high values of λs angle. In addition, the results introduce new area for research on improving the surface quality based on lowering the effect of MUCT on surface roughness and explaining some aspects related to surface wear in the friction process.
Functional implant positioning in total hip arthroplasty and the role of robotic-arm assistance
Authors: Fontalis Andreas , Raj Rhody David , Kim Woo Jae , Gabr Ayman , Glod Fabrice , Foissey Constant , Kayani Babar , Putzeys Pierre , Haddad Fares S. 
Published: December 2022

Abstract

Introduction
Accurate implant positioning, tailored to the phenotype and unique biomechanics of each patient is the single most important objective in achieving stability in THA and maximise range of motion. The spine-pelvis-hip construct functions as a single unit adapting to postural changes. It is widely accepted in the literature that no universaltarget exists and variations in spinopelvic mobility mandate adjustments to the surgical plan; thus bringing to the fore the concept of personalised, functional component positioning.

Methods
This manuscript aims to outline the challenges posed by spinopelvic imbalance and present a reproducible, stepwise approach to achieve functional-component positioning. We also present the one-year functional outcomes and Patient Reported Outcome Measures of a prospective cohort operated with this technique.

Results and Conclusion
Robotic-arm assisted Total Hip Arthroplasty has facilitated enhanced planning based on the patient’s phenotype and evidence suggests it results in more reproducible and accurate implant positioning. Preservation of offset, avoiding leg-length discrepancy, accurate restoration of the centre of rotation and accomplishing the combinedversion target are very important parameters in Total Hip Arthroplasty that affect post-operative implant longevity, patient satisfaction and clinical outcomes.
Breast cancer screening with digital breast tomosynthesis: comparison of different reading strategies implementing artificial intelligence
Authors: Dahlblom Victor , Dustler Magnus , Tingberg Anders , Zackrisson Sophia 
Published: December 2022

Abstract
Objectives
Digital breast tomosynthesis (DBT) can detect more cancers than the current standard breast screening method, digital mammography (DM); however, it can substantially increase the reading workload and thus hinder implementation in screening. Artificial intelligence (AI) might be a solution. The aim of this study was to retrospectively test different ways of using AI in a screening workflow.

Methods
An AI system was used to analyse 14,772 double-read single-view DBT examinations from a screening trial with paired DM double reading. Three scenarios were studied: if AI can identify normal cases that can be excluded from human reading; if AI can replace the second reader; if AI can replace both readers. The number of detected cancers and false positives was compared with DM or DBT double reading.

Results
By excluding normal cases and only reading 50.5% (7460/14,772) of all examinations, 95% (121/127) of the DBT double reading detected cancers could be detected. Compared to DM screening, 27% (26/95) more cancers could be detected (p < 0.001) while keeping recall rates at the same level. With AI replacing the second reader, 95% (120/127) of the DBT double reading detected cancers could be detected—26% (25/95) more than DM screening (p < 0.001)—while increasing recall rates by 53%. AI alone with DBT has a sensitivity similar to DM double reading (p = 0.689).

Conclusion
AI can open up possibilities for implementing DBT screening and detecting more cancers with the total reading workload unchanged. Considering the potential legal and psychological implications, replacing the second reader with AI would probably be most the feasible approach.

Key Points
• Breast cancer screening with digital breast tomosynthesis and artificial intelligence can detect more cancers than mammography screening without increasing screen-reading workload.
• Artificial intelligence can either exclude low-risk cases from double reading or replace the second reader.
• Retrospective study based on paired mammography and digital breast tomosynthesis screening data.
Comparing preservation substrates under field conditions for efficient DNA recovery in bone
Authors: de Arellano Sánchez Jorge Adrián Ramírez , Ortiz José Miguel Moreno , Quintero Andres López , Pfeiffer Heidi , Vennemann Marielle , Bauer Hannah 
Published: December 2022

Abstract
Often bones are the only biological material left for the identification of human remains. As situations may occur where samples need to be stored for an extended period without access to cooling, appropriate storage of the bone samples is necessary for maintaining the integrity of DNA for profiling. To simulate DNA preservation under field conditions, pig rib bones were used to evaluate the effects of bone cleaning, buffer composition, storage temperature, and time on DNA recovery from bone samples. Bones were stored in three different buffers: TENT, solid sodium chloride, and ethanol-EDTA, at 20 °C and 35 °C for 10, 20, and 30 days. Bones were subsequently dried and ground to powder. DNA was extracted and quantified. Results show that temperature and storage time have no significant influence on DNA yield. DNA recovery from bones stored in solid sodium chloride or ethanol-EDTA was significantly higher compared to bones stored in TENT, and grinding of bones was facilitated by the extent of dehydration in solid sodium chloride and ethanol-EDTA compared to TENT. Overall, solid sodium chloride was found to be superior over ethanol-EDTA; when it comes to transportation, dry material such as salt eliminates the risk of leaking; it is non-toxic and in contrast to ethanol not classified as dangerous goods. Based on this study’s results, we recommend NaCl as a storage substrate for forensic samples in cases where no cooling/freezing conditions are available.