bluuebunny/crossref_metadata_2025 huggingface dataset:
Calorimetric analysis of ice onset temperature during cryoablation: a model approach to identify early predictors of effective applications
Authors: Campagnoli Elena , Ballatore Andrea , Giaretto Valter , Anselmino Matteo
Published: August 2021

Aim of the present study is to analyze thermal events occurring during cryoablation. Different bovine liver samples underwent freezing cycles at different cooling rate (from 0.0075 to 25 K/min). Ice onset temperature and specific latent heat capacity of the ice formation process were measured according to differential scanning calorimetry signals. A computational model of the thermal events occurring during cryoablation was compiled using Neumann’s analytical solution. Latent heat (#1 = 139.8 ± 7.4 J/g, #2 = 147.8 ± 7.9 J/g, #3 = 159.0 ± 4.1 J/g) of all liver samples was independent of the ice onset temperature, but linearly dependent on the water content. Ice onset temperature was proportional to the logarithm of the cooling rate in the range 5 ÷ 25 K/min (#3a = − 12.2 °C, #3b = − 16.2 °C, #3c = − 6.6 °C at 5K/min; #3a = − 16.5 °C, #3b = − 19.3 °C, #3c = − 11.6 °C at 25 K/min). Ice onset temperature was associated with both the way in which the heat involved into the phase transition was delivered and with the thermal gradient inside the tissue. Ice onset temperature should be evaluated in the early phase of the ablation to tailor cryoenergy delivery. In order to obtain low ice trigger temperatures and consequent low ablation temperatures a high cooling rate is necessary.
A generic intelligent tomato classification system for practical applications using DenseNet-201 with transfer learning
Authors: Lu Tao , Han Baokun , Chen Lipin , Yu Fanqianhui , Xue Changhu
Published: August 2021

A generic intelligent tomato classification system based on DenseNet-201 with transfer learning was proposed and the augmented training sets obtained by data augmentation methods were employed to train the model. The trained model achieved high classification accuracy on the images of different quality, even those containing high levels of noise. Also, the trained model could accurately and efficiently identify and classify a single tomato image with only 29 ms, indicating that the proposed model has great potential value in real-world applications. The feature visualization of the trained models shows their understanding of tomato images, i.e., the learned common and high-level features. The strongest activations of the trained models show that the correct or incorrect target recognition areas by a model during the classification process will affect its final classification accuracy. Based on this, the results obtained in this study could provide guidance and new ideas to improve the development of intelligent agriculture.
Quantifying the pattern of retinal vascular orientation in diabetic retinopathy using optical coherence tomography angiography
Authors: Ma Yanhui , Ohr Matthew P. , Pan Xueliang , Roberts Cynthia J.
Published: August 2021

Quantitative imaging using optical coherence tomography angiography (OCTA) could provide objective tools for the detection and characterization of diabetic retinopathy (DR). In this study, an operator combining the second derivative and Gaussian multiscale convolution is applied to identify the retinal orientation at each pixel in the OCTA image. We quantified the pattern of retinal vascular orientation and developed three novel quantitative metrics including vessel preferred orientation, vessel anisotropy, and vessel area. Each of eight 45º sectors of the circular disk centered at the macular region was defined as the region of interest. Significant sectoral differences were observed in the preferred orientation (p < 0.0001) and vessel area (p < 0.0001) in the 34 healthy subjects, whereas vessel anisotropy did not demonstrate a significant difference among the eight sectors (p = 0.054). Differential retinal microvascular orientation patterns were observed between healthy controls (n = 34) and the DR subjects (n = 7). The vessel area characterized from the vascular orientation pattern was shown to be strongly correlated with the traditionally reported vessel density (Pearson R > 0.97, p < 0.0001). With three metrics calculated from the vascular orientation pattern simultaneously and sectorally, our quantitative assessment for retinal microvasculature provides more information than vessel density alone and thereby may enhance the detection of DR. These preliminary results suggest the feasibility and advantage of our vessel orientation-based quantitative approach using OCTA to characterize DR-associated changes in retinal microvasculature.
Scale-up approach for supercritical fluid extraction with ethanol–water modified carbon dioxide on Phyllanthus niruri for safe enriched herbal extracts
Authors: Hassim Norsyamimi , Markom Masturah , Rosli Masli Irwan , Harun Shuhaida
Published: August 2021

Scaling-up supercritical fluid extraction (SFE) for the extraction of bioactive compounds from herbal plants is challenging, especially with the presence of alcohol-water as co-solvent. Hence, the main objective of this study is to validate the scale-up criteria of SFE process forPhyllanthus niruri(P. niruri), and analyse the extract safety and profitability process at the industrial scale. The study was performed by using supercritical carbon dioxide (SC-CO2) with ethanol–water co-solvent at two operating conditions (L1: 200 bar, 60 °C and L2: 262 bar, 80 °C). The solvent-to-feed ratio (S/F) scale-up validation experiments were conducted at both operating conditions with feed mass capacity of 0.5 kg. The extraction yields and overall extraction curves obtained were almost similar to the predicted ones, with error of 5.13% and 14.2%, respectively. The safety of scale-up extract was evaluated by using a toxicity test against zebrafish embryo (FETT). The extract exhibited a low toxic effect with the LD50value of 505.71 µg/mL. The economic evaluation using a detailed profitability analysis showed that the SFE ofP. niruriwas an economically feasible process, as it disclosed the encouraging values of return on investment (ROI) and net present values (NPV) for all scale-up capacities.
Acetylation turns leucine into a drug by membrane transporter switching
Authors: Churchill Grant C. , Strupp Michael , Factor Cailley , Bremova-Ertl Tatiana , Factor Mallory , Patterson Marc C. , Platt Frances M. , Galione Antony
Published: August 2021

Small changes to molecules can have profound effects on their pharmacological activity as exemplified by the addition of the two-carbon acetyl group to make drugs more effective by enhancing their pharmacokinetic or pharmacodynamic properties.N-acetyl-d,l-leucine is approved in France for vertigo and itsl-enantiomer is being developed as a drug for rare and common neurological disorders. However, the precise mechanistic details of how acetylation converts leucine into a drug are unknown. Here we show that acetylation of leucine switches its uptake into cells from thel-type amino acid transporter (LAT1) used by leucine to organic anion transporters (OAT1 and OAT3) and the monocarboxylate transporter type 1 (MCT1). Both the kinetics of MCT1 (lower affinity compared to LAT1) and the ubiquitous tissue expression of MCT1 make it well suited for uptake and distribution ofN-acetyl-l-leucine. MCT1-mediated uptake of aN-acetyl-l-leucine as a prodrug of leucine bypasses LAT1, the rate-limiting step in activation of leucine-mediated signalling and metabolic process inside cells such as mTOR. Converting an amino acid into an anion through acetylation reveals a way for the rational design of drugs to target anion transporters.
Biosynthesis of silver nanoparticles with antimicrobial and anticancer properties using two novel yeasts
Authors: Liu Xin , Chen Jia-Le , Yang Wen-Yu , Qian Yu-Cheng , Pan Jing-Yu , Zhu Chen-Nianci , Liu Li , Ou Wen-Bin , Zhao Hong-Xin , Zhang Dian-Peng
Published: August 2021

AgNPs are nanomaterials with many potential biomedical applications. In this study, the two novel yeast strains HX-YS and LPP-12Y capable of producing biological silver nanoparticles were isolated. Sequencing of ribosomal DNA-ITS fragments, as well as partial D1/D2 regions of 26S rDNA indicated that the strains are related to species from the genus Metschnikowia. The BioAgNPs produced by HX-YS and LPP-12Y at pH 5.0–6.0 and 26 °C ranged in size from 50 to 500 nm. The antibacterial activities of yeast BioAgNPs against five pathogenic bacteria were determined. The highest antibacterial effect was observed on P. aeruginosa, with additional obvious effects on E. coli ATCC8099 and S. aureus ATCC10231. Additionally, the BioAgNPs showed antiproliferative effects on lung cancer cell lines H1975 and A579, with low toxicity in Beas 2B normal lung cells. Therefore, the AgNPs biosynthesized by HX-YS and LPP-12Y may have potential applications in the treatment of bacterial infections and cancer.
Peer pressure induced punishment resolves social dilemma on interdependent networks
Authors: Hu Kaipeng , Tao Yewei , Ma Yongjuan , Shi Lei
Published: August 2021

Despite the fruitful evidence to support the emergence of cooperation, irrational decisions are still an essential part of promoting cooperation. Among the many factors that affect human rational decision-making, peer pressure is unique to social organisms and directly affects individual cooperative behaviors in the process of social interaction. This kind of pressure psychologically forces individuals to behave consistently with their partners, and partners with inconsistent behaviors may suffer psychological blows. As feedback, this psychological harm may in turn affect individual cooperative decisions. There is evidence that when peer pressure exists, partnerships can reduce free-riding in enterprise. Based on interdependent networks, this paper studies the impact of peer pressure on cooperation dynamics when the strategies of corresponding partners from different layers of the networks are inconsistent. We assume that when individuals are under peer pressure, their payoffs will be compromised. The simulation results show that the punishment effect will force the expulsion of partners with different strategies, which will further reduce the proportion of partners with inconsistent strategies in the system. However, in most cases, only moderate fines are most conductive to the evolution of cooperation, and the punishment mechanisms can effectively promote the interdependent network reciprocity. The results on the small world and random network prove the robustness of the result. In addition, under this mechanism, the greater the payoff dependence between partners, the better the effect of interdependent network reciprocity.
Novel insights into peptide amidation and amidating activity in the human circulation
Authors: Kaufmann Paul , Bergmann Andreas , Melander Olle
Published: August 2021

C-terminal α-amidation is the final and essential step in the biosynthesis of several peptide hormones. Peptidylglycine α-amidating monooxygenase (PAM) is the only known enzyme to catalyse this reaction. PAM amidating activity (AMA) is known to be present in human circulation, but its physiological role and significance as a clinical biomarker remains unclear. We developed a PAM-specific amidation assay that utilizes the naturally occurring substrate Adrenomedullin-Gly (ADM-Gly, 1–53). Using our amidation assay we quantified serum amidating activities in a large population-based cohort of more than 4900 individuals. A correlation of serum amidating activity with several clinical parameters including high blood pressure was observed. Increasing PAM-AMA was an independent predictor of hard outcomes related to hemodynamic stress such as cardiovascular mortality, atrial fibrillation and heart failure during long-term follow-up (8.8 ± 2.5 years). Moreover, results from an animal study in rats utilizing recombinant human PAM provide novel insights into the physiological role of circulating PAM and show its potential significance in circulating peptide amidation.
Effects of diabetes mellitus on the rate of carpal tunnel release in patients with carpal tunnel syndrome
Authors: Shin Jaeyong , Kim Yong Wook , Lee Sang Chul , Yang Seung Nam , Chang Jee Suk , Yoon Seo Yeon
Published: August 2021

The objective of this study was to evaluate the effects of diabetes mellitus (DM) on the rate of carpal tunnel release (CTR) using a large nationwide cohort in Korea and to identify risk factors, including comorbidities and socioeconomic status (SES), associated with CTR. Patients with a primary or secondary diagnosis of carpal tunnel syndrome (CTS; ICD-10 code: G560) were selected and divided into two groups according to the presence of DM. A Cox proportional hazard model was used to assess the rate of CTR between the two groups. To evaluate the influence of demographic factors, comorbidities, and SES on CTR, multivariate Cox proportional hazard regression models were used to adjust for confounding variables. In total, 12,419 patients with CTS were included in the study: 2487 in DM cohort and 9932 in non-DM cohort. DM duration was negatively related with the rate of CTR (HR = 0.89, 95% CI 0.87–0.91) in CTS patients with DM. The rate of CTR was decreased in patients with DM compared to those without DM in the unadjusted model; however, after adjusting for comorbidities, DM had no significant effect on the rate of CTR. Female sex (HR = 1.50, 95% CI 1.36–1.67) correlated with the rate of CTR, and an inverse relationship between the number of comorbidities and CTR was found (p < 0.001) irrespective of DM. Diabetic polyneuropathy (DPN) was not associated with CTR, and we did not find any factors correlating with CTR in DPN patients. We found that CTS patients with more comorbidities or combined with a longer duration of DM were undertreated in real-word practice. Actual outcomes of CTR in CTS patents with various comorbidities should be investigated in future studies for optimal management of CTS.
Eristalis flower flies can be mechanical vectors of the common trypanosome bee parasite, Crithidia bombi
Authors: Davis Abby E. , Deutsch Kaitlin R. , Torres Alondra M. , Mata Loya Mesly J. , Cody Lauren V. , Harte Emma , Sossa David , Muñiz Paige A. , Ng Wee Hao , McArt Scott H.
Published: August 2021

Flowers can be transmission platforms for parasites that impact bee health, yet bees share floral resources with other pollinator taxa, such as flies, that may be hosts or non-host vectors (i.e., mechanical vectors) of parasites. Here, we assessed whether the fecal-orally transmitted gut parasite of bees,Crithidia bombi, can infectEristalis tenaxflower flies. We also investigated the potential for two confirmed solitary bee hosts ofC. bombi,Osmia lignariaandMegachile rotundata, as well as two flower fly species,Eristalis arbustorumandE. tenax,to transmit the parasite at flowers. We found thatC. bombidid not replicate (i.e., cause an active infection) inE. tenaxflies. However, 93% of inoculated flies defecated liveC. bombiin their first fecal event, and all contaminated fecal events containedC. bombiat concentrations sufficient to infect bumble bees. Flies and bees defecated inside the corolla (flower) more frequently than other plant locations, and flies defecated at volumes comparable to or greater than bees. Our results demonstrate thatEristalisflower flies are not hosts ofC. bombi, but they may be mechanical vectors of this parasite at flowers. Thus, flower flies may amplify or diluteC. bombiin bee communities, though current theoretical work suggests that unless present in large populations, the effects of mechanical vectors will be smaller than hosts.
Responses of maize hybrids with contrasting maturity to planting date in Northeast China
Authors: Ke Fulai , Ma Xinglin
Published: August 2021

Maize sowing in semi-humid region of Jilin province is often delayed beyond the optimum planting time window because of soil water stress typically occurring before or during the planting season. Research was conducted at Lishu city, in Jilin province from 2009 through 2010 to determine the responses of maize hybrids with contrasting maturity to planting date. Three popular hybrids with contrasting different maturity, short-season hybrid Jidan27, mid-season hybrid Xianyu335, and full-season hybrid Zhengdan958 were planted in early May and mid-May and thinned to populations of 67,500 plants ha−1. The results showed that durations from emergence to silking stage for all the hybrids consistently shortened as the planting delayed, but interaction effects of hybrids, planting date and year existed for the duration of silking to physiological maturity stage. The longer maturity hybrid usually had grain yield advantage over earlier maturity hybrid when planting at early May, but the earlier maturity hybrid often showed a greater yield than longer maturity hybrid when planting was delayed. The highest yield occurred at the treatment combination of the mid-season hybrid and delayed planting date, and the shorter season hybrid typically showed stable and higher grain yield across planting dates. Changes in grain volume per unit of land area among hybrids and planting date treatment combination were consistent with the changes in grain yields, indicating that the yield is determined usually by the sink capacity. Further research is needed to evaluate the effects of hybrids maturity and planting date on maize under different planting densities.
Response of salivary biomarkers to an empathy triggering film sequence—a pilot study
Authors: Zenzmaier Christoph , Janssen Jessie , Zulmin Christoph , Österreicher Philipp , Heinrich Lea , Tucek Gerhard , Perkhofer Susanne
Published: August 2021

Empathy is a multifaceted phenomenon that is difficult to measure. Self-report questionnaires are the most common and well-validated measures while currently no validated protein biomarkers associated with the empathic reaction have been established. Trigger films have been previously used in psychological research to evoke emotions. Thus, in the present randomized cross-over study we investigated the responses of nine salivary biomarkers that have been related to emotions and stress following an empathy triggering and a control film sequence. Additionally, questionnaires for empathy (Saarbrucken Personality Questionnaire (SPQ)) and current mental stress were applied and participants were asked to assess the film protagonists’ emotions using the Positive and Negative Affect Schedule. Data from 46 participants were included in the analysis. α-Amylase, IgA, IL-1β and estradiol showed a significantly different response between the empathy and control intervention. Moreover, normalized levels of these biomarkers significantly correlated with single scales of the SPQ (control film sequence: α-amylase and IgA with personal distress; estradiol with empathic concern; IL-1β with fantasy; empathy triggering film sequence: IgA with empathic concern, fantasy and the total empathy score). These findings indicated that the observed changes in salivary biomarker levels were reflective of a physiological response to the empathy triggering film sequence. Future studies using different triggers and settings will show if the identified biomarkers can be considered as surrogate markers for empathic reactions in general.
Improve thermostability of Bacillus sp. TS chitosanase through structure-based alignment
Authors: Zhou Zhanping , Wang Xiao
Published: August 2021

Chitosanases can catalyze the release of chitooligosaccharides which have a number of medical applications. Therefore, Chitosanases are good candidates for large-scale enzymatic synthesis due to their favorable thermostability properties and high catalytic efficiency. To further improve the thermostability of a chitosanase from Bacillus sp. TS, which has a half-life of 5.32 min, we mutated specific serine residues that we identified as potentially relevant through structure comparison with thermophilic CelA from Clostridium thermocellum. Out of a total of 15 mutants, three, namely S265G, S276A, and S347G, show higher thermostability. Their half-lives at 60 °C were calculated as 34.57 min, 36.79 min and 7.2 min. The Km values of S265G, S276A and S347G mutants show substrate binding ability comparable to that of the wild-type enzyme, while the S265G mutant displays a significant decrease of enzymatic activities. Additionally, we studied the synergistic effects of combined mutations, observing that all double mutants and the triple mutant are more stable than the wild-type enzyme and single mutants. Finally, we investigated the mechanisms which might give a reasonable explanation for the improved thermostability via comparative analysis of the resulting 3D structures.
Performance and host association of spotted lanternfly (Lycorma delicatula) among common woody ornamentals
Authors: Uyi Osariyekemwen , Keller Joseph A. , Swackhamer Emelie , Hoover Kelli
Published: August 2021

Lycorma delicatula (spotted lanternfly) has a broad host range with a strong preference for the invasive host plant from its native range, tree of heaven (Ailanthus altissima); it had long been speculated that L. delicatula could not develop or reproduce without access to tree of heaven. In 2019, we found that this assumption was incorrect, but fitness was reduced in the absence of A. altissima in that the number of egg masses laid was dramatically fewer for insects reared on suitable non-A. altissima host plants that had recently been established. We hypothesized that longer established, larger trees (of the same species) would improve the fitness of L. delicatula in the absence of tree of heaven. In spring 2020, we examined insect performance with and without access to A. altissima by tracking development, survival, host tree association and oviposition in large enclosures with trees planted two years prior to the study. Each enclosure included one each of Juglans nigra, Salix babylonica and Acer saccharinum along with either one A. altissima or one Betula nigra; these trees had twice the diameter of the same trees the previous year. We reared nymphs with and without access to A. altissima, released them into the corresponding large enclosures as third instars, and monitored them from early July 2020 through November 2020. We also determined whether lack of access to A. altissima by parents of L. delicatula have any fitness effects on offspring performance. To ensure adequate adult populations for comparing fecundity between treatments, third instars were released into the multi-tree enclosures due to high mortality in earlier instars that occurred in a similar study in 2019. Insect survival was higher and development faster with access to A. altissima. Third and fourth instar nymphs were most frequently observed on A. altissima when it was present, while adults were equally associated with A. saccharinum and A. altissima. In the absence of A. altissima, nymphs were most frequently found on S. babylonica, while adults were most often on A. saccharinum. Females with access to A. altissima deposited nearly 7-fold more egg masses than those without access to A. altissima, which is consistent with the difference in egg mass numbers between the two treatments the previous year; thus, our hypothesis was rejected. The offspring of parents that had been reared without access to A. altissima showed similar survival and development time from egg to adult as offspring from parents that never had access to A. altissima. These findings suggest that managers need to be aware that even in the absence of A. altissima in the landscape, several hardwood host trees can be utilized by L. delicatula to develop and reproduce, but fitness without A. altissima is likely to still be reduced.
Steroid, ascorbic acid, and thiamine in adults with sepsis and septic shock: a systematic review and component network meta-analysis
Authors: Fong Ka Man , Au Shek Yin , Ng George Wing Yiu
Published: August 2021

To assess the effect from individual component in combinations of steroid, ascorbic acid, and thiamine on outcomes in adults with sepsis and septic shock with component network meta-analysis (NMA). We searched PubMed, EMBASE, and the Cochrane Library Central Register of Controlled Trials from 1980 to March 2021 for randomized controlled trials (RCT) that studied the use of glucocorticoid, fludrocortisone, ascorbic acid, and thiamine in patients with sepsis and septic shock. Citations screening, study selection, data extraction, and risk of bias assessment were independently performed by two authors. The primary outcome was short-term mortality. Secondary outcomes were longer-term mortality, time to resolution of shock and duration of mechanical ventilation. Thirty-three RCTs including 9898 patients presented on short-term mortality. In additive component NMA, patients on ascorbic acid alone (RR 0.74, 95% CI 0.57–0.97) or the combination of glucocorticoid and fludrocortisone (RR 0.89, 95% CI 0.80–0.99) had lower short-term mortality, but only the latter was associated with improved long-term mortality (RR 0.89, 95% CI 0.82–0.98). The use of glucocorticoid or the combination of glucocorticoid, ascorbic acid and thiamine hastened resolution of shock. Component NMA showed glucocorticoid (MD − 0.96, 95% CI − 1.61 to − 0.30) but not ascorbic acid or thiamine shortened the time to resolution of shock. Glucocorticoid shortened the duration of mechanical ventilation (MD − 1.48, 95% CI − 2.43 to − 0.52). In adults with sepsis and septic shock, the combination of glucocorticoid and fludrocortisone improved short-term and longer-term mortality. Glucocorticoid shortened the time to resolution of shock and duration of mechanical ventilation. There was no strong evidence supporting the routine use of thiamine and ascorbic acid, but they were associated with minimal adverse effects.
Surgical cup placement affects the heating up of total joint hip replacements
Authors: Damm Philipp , Bender Alwina , Waldheim Vivian , Winkler Tobias , Duda Georg N.
Published: August 2021

The long-term success of highly effective total hip arthroplasty (THA) is mainly restricted by aseptic loosening, which is widely associated with friction between the head and cup liner. However, knowledge of the in vivo joint friction and resulting temperature increase is limited. Employing a novel combination of in vivo and in silico technologies, we analyzed the hypothesis that the intraoperatively defined implant orientation defines the individual joint roofing, friction and its associated temperature increase. A total of 38,000 in vivo activity trials from a special group of 10 subjects with instrumented THA implants with an identical material combination were analyzed and showed a significant link between implant orientation, joint kinematics, joint roofing and friction-induced temperature increase but surprisingly not with acting joint contact force magnitude. This combined in vivo and in silico analysis revealed that cup placement in relation to the stem is key to the in vivo joint friction and heating-up of THA. Thus, intraoperative placement, and not only articulating materials, should be the focus of further improvements, especially for young and more active patients.
Cdx2 regulates immune cell infiltration in the intestine
Authors: Chewchuk Simon , Jahan Sanzida , Lohnes David
Published: August 2021

The intestinal epithelium is a unique tissue, serving both as a barrier against pathogens and to conduct the end digestion and adsorption of nutrients. As regards the former, the intestinal epithelium contains a diverse repertoire of immune cells, including a variety of resident lymphocytes, macrophages and dendritic cells. These cells serve a number of roles including mitigation of infection and to stimulate regeneration in response to damage. The transcription factor Cdx2, and to a lesser extent Cdx1, plays essential roles in intestinal homeostasis, and acts as a context-dependent tumour suppressor in colorectal cancer. Deletion of Cdx2 from the murine intestinal epithelium leads to macrophage infiltration resulting in a chronic inflammatory response. However the mechanisms by which Cdx2 loss evokes this response are poorly understood. To better understand this relationship, we used a conditional mouse model lacking all intestinal Cdx function to identify potential target genes which may contribute to this inflammatory phenotype. One such candidate encodes the histocompatability complex protein H2-T3, which functions to regulate intestinal iCD8α lymphocyte activity. We found that Cdx2 occupies the H3-T3 promoter in vivo and directly regulates its expression via a Cdx response element. Loss of Cdx function leads to a rapid and pronounced attenuation of H2-T3, followed by a decrease in iCD8α cell number, an increase in macrophage infiltration and activation of pro-inflammatory cascades. These findings suggest a previously unrecognized role for Cdx in intestinal homeostasis through H2-T3-dependent regulation of iCD8α cells.
Quality of heavy metal-contaminated soil before and after column flushing with washing agents derived from municipal sewage sludge
Authors: Klik Barbara , Gusiatin Zygmunt M. , Kulikowska Dorota
Published: August 2021

Removal of heavy metals (HMs) from soil is a priority in soil washing/soil flushing. However, for further management of remediated soil, it should be characterized in detail. This study presents, for the first time, an evaluation of soil quality after column flushing with new-generation washing agents (WAs) recovered from municipal sewage sludge (dissolved organic matter, DOM; soluble humic-like substances, HLS; soluble humic substances, SHS) and Na2EDTA as a standard benchmark. Sandy loam soil was spiked with industrial levels of Cu, Pb and Zn, then flushed in a column reactor at two WA flow rates (0.5 and 1.0 ml/min). Soil quality was assessed by determining both physico-chemical (pH, total HMs and their mobility, soil organic matter, OM, humic substances, HS and their fractions, macroelements) and biological indicators (dehydrogenase activity, DHA; germination rate, GR; and inhibition factors for roots and shoots of Triticum aestivum). Total residual HMs contents and HMs contents in the mobile fraction were significantly lower in soil flushed at 1.0 ml/min than in soil flushed at 0.5 ml/min. With all WAs, the decrease in Cu content was larger than that of the other HMs, however this HM most effectively was removed with DOM. In contrast, Pb most effectively was removed by HLS and Na2EDTA, and DOM should not be used to remediate Pb-contaminated soil, due to its very low effectiveness. Flow rate did not appear to affect the fertilizing properties of the soil, DHA activity or soil toxicity indicators. Soil flushing with all SS_WAs increased OM, HS, and exchangeable P, K and Na content in remediated soils, but decreased exchangeable Ca content, and in most cases, exchangeable Mg content. Soil flushing substantially improved DHA activity and GR, but only slightly improved the shoot and root inhibition factors.
Bioconvective Reiner–Rivlin nanofluid flow over a rotating disk with Cattaneo–Christov flow heat flux and entropy generation analysis
Authors: Lv Yu-Pei , Gul Hina , Ramzan Muhammad , Chung Jae Dong , Bilal Muhammad
Published: August 2021

The non-Newtonian fluids possess captivating heat transfer applications in comparison to the Newtonian fluids. Here, a new type of non-Newtonian fluid named Reiner–Rivlin nanofluid flow over a rough rotating disk with Cattaneo–Christov (C–C) heat flux is studied in a permeable media. The stability of the nanoparticles is augmented by adding the gyrotactic microorganisms in the nanofluid. The concept of the envisaged model is improved by considering the influences of Arrhenius activation energy, chemical reaction, slip, and convective conditions at the boundary of the surface. The entropy generation is evaluated by employing the second law of thermodynamics. The succor of the Shooting scheme combined with the bvp4c MATLAB software is adapted for the solution of extremely nonlinear system of equations. The noteworthy impacts of the evolving parameters versus engaged fields are inspected through graphical illustrations. The outcomes show that for a strong material parameter of Reiner–Rivlin, temperature, and concentration profiles are enhanced. The behavior of Skin friction coefficients, local Nusselt number, Sherwood number, and local density number of motile microorganisms against the different estimates of emerging parameters are represented in tabular form. The authenticity of the intended model is tested by comparing the presented results in limiting form to an already published paper. A proper correlation between the two results is attained.
Multivalent glycans for biological and biomedical applications
Authors: Kim Yujun , Hyun Ji Young , Shin Injae
Published: August 2021

Recognition of glycans by proteins plays a crucial role in a variety of physiological processes in cells and living organisms.
Analysis of primer gunshot residue particles by laser induced breakdown spectroscopy and laser ablation inductively coupled plasma mass spectrometry
Authors: Vander Pyl Courtney , Martinez-Lopez Claudia , Menking Hoggatt Korina , Trejos Tatiana
Published: August 2021

LIBS and LAICPMS microchemical mapping for rapid detection of gunshot residues is reported for a large dataset of pGSR authentic items and microparticle standards, with accurate differentiation between shooter and non-shooter profiles (>88%).
A 3-D hydrogel based system for hematopoietic differentiation and its use in modeling down syndrome associated transient myeloproliferative disorder
Authors: Sidhu Ishnoor , Barwe Sonali P. , Kiick Kristi L. , Kolb E. Anders , Gopalakrishnapillai Anilkumar
Published: August 2021

Induced pluripotent stem cells (iPSCs) provide an extraordinary tool for disease modeling owing to their potential to differentiate into the desired cell type.
Generation of 2D nonlayered ferromagnetic VO2(M) nanosheets induced by strain engineering of CO2
Authors: Zhang Li , Zhou Yannan , Zheng Xiaoli , Jiang Jingyun , Xu Qun
Published: August 2021

Two-dimensional (2D) nonlayered ferromagnetic VO2(M) nanosheets were synthesized by deploying strain engineering of CO2 on 3D nonlayered VO2(M), and a temperature-dependent structural phase transition of VO2 was characterized.
Dynamic visualization of mRNA splicing variants with a transactivating reporter
Authors: Chen Si , Shu Wenjie , Zheng Haifeng , Ma Zhe , Li Miao , Wang Fu
Published: August 2021

In the present study, the authors have effectively developed an activatable two-step TSTA reporter system for the continuous imaging of the intron-retained splicing process in living cells and animals.
Precise macroscopic supramolecular assembly of photopatterned hydrogels
Authors: Xue Yuan , Ye Kai , Wang Xuebin , Xiang Yanxing , Pang Shihao , Bao Chunyan , Zhu Linyong
Published: August 2021

Photoligation chemistry of o-nitrobenzyl derivatives is applied to photopattern amine-containing polyelectrolytes on the surface of hydrogels, so as to achieve precise macroscopic self-assembly by electrostatic interaction.
The in situ formation of a hole-transporting material on bismuth tungstate for innovative photoelectrochemical aptasensing
Authors: Liu Tianli , Gu Mengmeng , Zhao Lingling , Wu Xiuming , Li Zaijun , Wang Guang-Li
Published: August 2021

The in situ generation of a hole-transporting material on Bi2WO6 surface was developed for an innovative PEC-sensing strategy. This approach provides insights into the exploitation of new PEC-sensing strategies for various biosensing applications.
Thiolysis of CBD arylethers for development of highly GSH-selective fluorescent probes
Authors: Tu Xiaoqiang , He Lijun , Huang Haojie , Ye Haishun , Sun Lu , Yi Long
Published: August 2021

A CBD arylether is employed for development of GSH fluorescent probes with high selectivity, tunable reactivities and appropriate dissociation constants for imaging.
Features of the crystallization of multicomponent solutions: a dipeptide, its salt and potassium carbonate
Authors: Loskutov Alexander I. , Lokshin Boris V. , Sazonova Nellya M. , Pinargote Nestor Solis , Vysotskii Vladimir V. , Loskutov Sergei A.
Published: August 2021

Various stages of crystallization of the dipeptide potassium salt on graphite and gold. Possible molecular structures of the dipeptide (a) and its potassium salt (b).
Diazaphospholenes as reducing agents: a thermodynamic and electrochemical DFT study
Authors: Alkhater Mohammed F. , Alherz Abdulaziz W. , Musgrave Charles B.
Published: August 2021

Diazaphospholenes are metal-free hydride donors that can be implemented as strong reducing agents and electrochemically regenerated more efficiently than common carbon-based hydrides.
Polar zinc oxide surface in electrolyte solutions: an atomic view of reconstruction, hydration and surface states
Authors: Samejima Yudai , Kobayashi Naritaka , Nakabayashi Seiichiro
Published: August 2021

Different charge compensation mechanisms of the Zn–ZnO(0001) surface between alkaline and acidic solutions are proposed. Potential-dependent reversible surface reconstruction is observed in the local transition area of the Zn–ZnO(0001) surface.
The impact of chromophore choice on the assembly kinetics and primary photochemistry of a red/green cyanobacteriochrome
Authors: Buhrke David
Published: August 2021

The assembly reaction and primary photochemistry of a cyanobacteriochrome photoreceptor with two different chromophores were investigated with transient absorption spectroscopy.
Assessing the oxygen reduction reaction by a 2-electron mechanism on ceria surfaces
Authors: Lucchetti Lanna E. B. , de Almeida James M. , Autreto Pedro A. S. , Santos Mauro C.
Published: August 2021

The 2-electron pathway of the oxygen reduction reaction is an unwanted process in the development of fuel cells.
Ground and excited electronic structures of metal encapsulated nanocages: the cases of endohedral M@C20H20(M = K, Rb, Ca, Sr) and M@C36H36(M = Na, K, Rb)
Authors: Ariyarathna Isuru R.
Published: August 2021

Group I and II metal atom encapsulated C20H20/C36H36 can be recognized as superatoms owing to the shapes of their molecular orbitals. This work discloses specific superatomic Aufbau models of M@C20H20 (M = K, Rb, Ca, Sr) and M@C36H36 (M = Na, K, Rb).
Correction: Antiviral drug discovery: preparing for the next pandemic
Authors: Adamson Catherine S. , Chibale Kelly , Goss Rebecca J. M. , Jaspars Marcel , Newman David J. , Dorrington Rosemary A.
Published: August 2021

Correction for ‘Antiviral drug discovery: preparing for the next pandemic’ by Catherine S. Adamson et al., Chem. Soc. Rev., 2021, 50, 3647–3655, DOI: 10.1039/D0CS01118E.
Probing into the double identity of Cu in bimetallic CuAg-TNTA hot-electron devices for photo-hydrogen conversion
Authors: Yu Zexin , Gao Yunlong , Sang Lixia , Lei Lei
Published: August 2021

The dual identities of Cu are hot electron acceptor and electron generator in the bimetal/TiO2 hot-electron device.
Cryogenic enabled multicolor upconversion luminescence of KLa(MoO4)2:Yb3+/Ho3+ for dual-mode anti-counterfeiting
Authors: Fan Xuemei , Nie Jingheng , Ying Weitao , Xu Shiqing , Gu Jianmin , Liu Shimin
Published: August 2021

A novel multicolor UC material with high-sensitivity for ultra-low temperature is designed and exhibits great potential in fulfilling advanced dual-mode anti-counterfeiting.
Fluorescent chemosensors containing redox-active ferrocene: a review
Authors: Sahoo Suban K.
Published: August 2021

The analytical novelty and sensing mechanisms of some important ferrocene based fluorescent chemosensors are discussed to open new scopes for future research.
Ultrasound-assisted enzymatic extraction of Corni Fructus alpha-glucosidase inhibitors improves insulin resistance in HepG2 cells
Authors: Han Binkai , Sun Haoqiang , Yang Xiaolin , Wang Ting , He Changfen , Zhao Ke , An Shujing , Guo Chen , Niu Dou , Xue Xiaochang , Kang Jiefang
Published: August 2021

Alpha-glucosidase inhibitors from Corni Fructus were optimized by ultrasound-assisted enzymatic extraction using response surface methodology and actively improved disordered glucose metabolism.
Continuous flow asymmetric synthesis of chiral active pharmaceutical ingredients and their advanced intermediates
Authors: Ötvös Sándor B. , Kappe C. Oliver
Published: August 2021

This review surveys continuous flow approaches for the synthesis of chiral APIs and their advanced stereogenic intermediates, covering the utilization of biocatalysis, organometallic catalysis and metal-free organocatalysis to introduce asymmetry.
Facile one-pot synthesis of γ-Fe2O3 nanoparticles by inductive heating
Authors: Sharma Pratikshya , Pfromm Peter Heinz , Liu Bin , Chikan Viktor
Published: August 2021

The direct one-pot synthesis of γ-Fe2O3 nanoparticles (NPs) has been demonstrated through a facile inductive heating method.
The impact of site selectivity and disorder on the thermoelectric properties of Yb21Mn4Sb18 solid solutions: Yb21Mn4−xCdxSb18 and Yb21−yCayMn4Sb18
Authors: He Allan , Cerretti Giacomo , Kauzlarich Susan M.
Published: August 2021

Compounds with the Yb21Mn4Sb18 structure show local disorder as shown in the PDF model (left) and Cd solid solution provides the highest zT (right).
Dual acting oximes designed for therapeutic decontamination of reactive organophosphates via catalytic inactivation and acetylcholinesterase reactivation
Authors: Cannon Jayme , Tang Shengzhuang , Yang Kelly , Harrison Racquel , Choi Seok Ki
Published: August 2021

Design and in vitro validation of dual acting oximes in the therapeutic decontamination of reactive organophosphates via chemical scavenging and acetylcholinesterase reactivation.
Extensive heterogeneity of glycopeptides in plasma revealed by deep glycoproteomic analysis using size-exclusion chromatography
Authors: Saraswat Mayank , Garapati Kishore , Mun Dong-Gi , Pandey Akhilesh
Published: August 2021

Size-exclusion chromatography facilitates simultaneous enrichment and fractionation of N-glycopeptides. Combining it with improved LC-MS/MS analysis achieves deep coverage of plasma N-glycoproteome.
A nano perspective behind the COVID-19 pandemic
Authors: Silveira Camila Pedroso , Schneid Andressa da Cruz , Ribeiro Iris Renata Sousa , Galdino Flávia Elisa , Cardoso Mateus Borba
Published: August 2021

Nano-scale interactions are key to understand the SARS-CoV-2 infectious potential and bio–nano sciences can provide hints on viral particles behaviour.
Modeling and prediction of lattice parameters of binary spinel compounds (AM2X4) using support vector regression with Bayesian optimization
Authors: Alade Ibrahim Olanrewaju , Zhang Yun , Xu Xiaojie
Published: August 2021

The lattice constants of spinel compounds AM2X4 are correlated with the constituent elemental properties using support vector regression (SVR) optimized with Bayesian optimization.
A novel Co(OH)2/Cu2O nanocomposite-activated peroxydisulfate for the enhanced degradation of tetracycline
Authors: Meng Xue , Yan Li , Wei Maobin , Wang Tao , Xu Ting , Yan Yongsheng , Cheng Shihan
Published: August 2021

Football like Co(OH)2/Cu2O nanospheres were developed and used as efficient catalysts in the catalytic system of PDS activation for environmental protection.
Synthesis of papain–polyacrylamide hydrogel microspheres and their catalytic application
Authors: Ma Yuan , Li Yao , Fei Xu , Tian Jing , Xu Longquan , Wang Yi
Published: August 2021

A schematic of the formation process of papain–PAHMs.
Nickel-catalyzed cross-electrophile coupling of aryl bromides and cyclic secondary alkyl bromides with spiro-bidentate-pyox ligands
Authors: Gao Nanxing , Li Yanshun , Cao Guorui , Teng Dawei
Published: August 2021

The cross-electrophile coupling catalyzed by nickel/spiro-bidentate-pyox ligands with lithium chloride as the additive was reported, which has good functional group tolerance (19 examples).
Cu-nanoparticle-decorated sulfur-based polymers for highly sensitive nonenzymatic glucose detection
Authors: Liao Yuan , Liu Min , Liu Jie , Zhu Ji-hua , Liu Jing-jiang , Wang Xi-Cun , Quan Zheng-Jun
Published: August 2021

The synthesis of a Cu@S-co-BIM composite was achieved and the nonenzymatic sensing of glucose was carried out using a Cu@S-co-BIM-modified electrode.
ZIF-8 engineered bismuth nanosheet arrays for boosted electrochemical reduction of nitrate
Authors: Chen Miao , Bi Jingtao , Huang Xin , Wang Jingkang , Wang Ting , Wang Zhao , Hao Hongxun
Published: August 2021

The surface construction of ZIF-8 film on bismuth nanosheets weakens the HER activity and boosts the nitrate removal efficiency.
Halogen bond-induced electrophilic aromatic halogenations
Authors: Lorpaiboon Wanutcha , Bovonsombat Pakorn
Published: August 2021

This review highlights the recent development of halogen bond-induced activations of N-halosuccinimides and N,N-dihalodimethylhydantoins in electrophilic aromatic halogenations.
Unusual rearrangement–remercuration reactions of allylic silanols
Authors: Nagamalla Someshwar , Dhokale Ranjeet A. , Seidl Frederick J. , Mague Joel T. , Sathyamoorthi Shyam
Published: August 2021

We present the first examples of rearrangement reactions of allylic silanol substrates into linear ketone and 5-membered cyclic silanediol organomercurial products.
Calix[4]amido crown functionalized visible sensors for cyanide and iodide anions
Authors: Sharma Pragati R. , Pandey Shubham , Malik Apoorva , Choudhary Ganpat , Soni Vineet K. , Sharma Rakesh K.
Published: August 2021

The benzyl and furfuryl functionalized calix[4] arene amido crown ionophores with structural stringency and steric hindrance showed selective colorimetric sensing towards iodide (I−) and cyanide (CN−) ions.
Biophotonic sensor design using a 1D defective annular photonic crystal for the detection of creatinine concentration in blood serum
Authors: Gandhi Sakshi , Awasthi Suneet Kumar , Aly Arafa H.
Published: August 2021

A new biophotonic sensor composed of a porous silicon (PSi)-based one-dimensional (1D) defective annular photonic crystal (APC) was designed and theoretically investigated using a modified transfer matrix method (TMM) in terms of cylindrical coordinates.
Structurally diverse diterpenoid alkaloids from the lateral roots of Aconitum carmichaelii Debx. and their anti-tumor activities based on in vitro systematic evaluation and network pharmacology analysis
Authors: Yu Yang , Wu Shifei , Zhang Jianqing , Li Jiayuan , Yao Changliang , Wu Wenyong , Wang Yingying , Ji Hongjian , Wei Wenlong , Gao Min , Li Yun , Yao Shuai , Huang Yong , Bi Qirui , Qu Hua , Guo De-an
Published: August 2021

In vitro systematic evaluation and network pharmacology analysis to explore the anti-tumor activities of thirty-seven diterpenoid alkaloids (DAs) from Aconitum carmichaelii Debx., including the first reported C20-DA glucoside and three new C19-DAs.
Deuterium equilibrium isotope effects in a supramolecular receptor for the hydrochalcogenide and halide anions
Authors: Fargher Hazel A. , Nickels Russell A. , de Faria Thaís P. , Haley Michael M. , Pluth Michael D. , Johnson Darren W.
Published: August 2021

We highlight a convenient synthesis to selectively deuterate an aryl C–H hydrogen bond donor in a supramolecular anion receptor and use competitive titrations to study the deuterium equilibrium isotope effects (DEIE) in binding HS−, Cl−, and Br−.
A light-controlled multi-step drug release nanosystem targeting tumor hypoxia for synergistic cancer therapy
Authors: Zhang Bin , Xu Zichen , Zhou Wen , Liu Zhikun , Zhao Jian , Gou Shaohua
Published: August 2021

A photo-responsive ruthenium complex-derived micelle (CC5-RuCa) loaded with CC5 was prepared for light and tumor microenvironment-controlled multistage drug-release.
Borinostats: solid-phase synthesis of carborane-capped histone deacetylase inhibitors with a tailor-made selectivity profile
Authors: Selg Christoph , Schöler Andrea , Schliehe-Diecks Julian , Hanl Maria , Sinatra Laura , Borkhardt Arndt , Sárosi Menyhárt B. , Bhatia Sanil , Hey-Hawkins Evamarie , Hansen Finn K.
Published: August 2021

This work describes a versatile solid phase synthesis of carborane-capped histone deacetylase inhibitors with a tunable selectivity profile and synergistic anticancer activity with bortezomib.