bluuebunny/crossref_metadata_2025 huggingface dataset:
Key Role of a‐Top CO on Terrace Sites of Metallic Pd Clusters for CO Oxidation
Authors: Gun Oh Dong , Aleksandrov Hristiyan A. , Kim Haneul , Koleva Iskra Z. , Khivantsev Konstantin , Vayssilov Georgi N. , Hun Kwak Ja
Published: June 2022

Pd‐based catalysts are the most widely used for CO oxidation because of their outstanding catalytic activity and thermal stability. However, fundamental understanding of the detailed catalytic processes occurring on Pd‐based catalysts under realistic conditions is still lacking. In this study, we investigated CO oxidation on metallic Pd clusters supported on Al2O3 and SiO2. High‐angle annular dark‐field scanning transmission electron microscopy revealed the formation of similar‐sized Pd clusters on Al2O3 and SiO2. In contrast, CO chemisorption analysis indicated a gradual change in the dispersion of Pd (from 0.79 to 0.2) on Pd/Al2O3 and a marginal change in the dispersion (from 0.4 to 0.24) on Pd/SiO2 as the Pd loading increased from 0.27 to 5.5 wt %; these changes were attributed to differences in the metal‐support interactions. Diffuse reflectance infrared Fourier‐transform spectroscopy revealed that fewer a‐top CO species were present in Pd supported on Al2O3 than those in Pd supported on SiO2, which is related to the morphological differences in the metallic Pd clusters on these two supports. Despite the different dispersion profiles and surface characteristics of Pd, O2 titration demonstrated that linearly bound CO (with an infrared signal at 2090 cm−1) reacted first with oxygen in the case of CO‐saturated Pd on Al2O3 and SiO2, which suggests that a‐top CO on the terrace site plays an important role in CO oxidation. The experimental observations were corroborated by periodic density functional calculations, which confirmed that CO oxidation on the (111) terrace sites is most plausible, both kinetically and thermodynamically, compared to that on the edge or corner sites. This study will deepen the fundamental understanding of the effect of Pd clusters on CO oxidation under reaction conditions.
Muon Spin Rotation/Resonance (μSR) for Studying Radical Reactivity of Unsaturated Organophosphorus Compounds
Authors: Ito Shigekazu
Published: June 2022

The positive muon (μ+) can be regarded as a light isotope of proton and has been an important tool to study radical reactions of organic compounds. Recently, muons have been applied to produce short‐lived paramagnetic species from the heavier unsaturated organic molecules including the p‐block elements. This article overviews recent muon spin rotation/resonance (μSR) studies on the phosphorus analogs of alkenes, anthracenes, and cyclobutane‐1,3‐diyls together with the fundamentals of μSR. The acyclic phosphaalkene of P=C and phosphasilenes of P=Si can accept muonium (Mu=[μ+e−]) at the heavier double bonds, and the corresponding radicals have been characterized. The phosphorus atom in 9‐phosphaanthracene, whose P=C double bond is stabilized by the peri‐substituted CF3 groups, predominantly captures muonium to provide the corresponding paramagnetic fused heterocyclic system. The peri‐trifluoromethyl groups are functional to promote the unprecedented light isotope effect of muon providing the planar three‐cyclic molecular structure to consume the increased zero‐point energy. The formally open‐shell singlet 1,3‐diphosphacyclobutane‐2,4‐diyl unit can accept muonium at the (ylidic) phosphorus or the skeletal radicalic carbon, and the corresponding paramagnetic phosphorus heterocycles can be characterized by μSR. The findings on these muoniation processes to the unsaturated phosphorus‐containing compounds will contribute not only to development of novel paramagnetic functional species but also to progress on muon science.
Catalytic Activation of Imines by Chalcogen Bond Donors in a Povarov [4+2] Cycloaddition Reaction
Authors: Steinke Tim , Wonner Patrick , Gauld Richard M. , Heinrich Sascha , Huber Stefan M.
Published: June 2022

Recently, chalcogen bonding has been investigated in more detail in organocatalysis and the scope of activated functionalities continues to increase. Herein, the activation of imines in a Povarov [4+2] cycloaddition reaction with bidentate cationic chalcogen bond donors is presented. Tellurium‐based Lewis acids show superior properties compared to selenium‐based catalysts and inactive sulfur‐based analogues. The catalytic activity of the chalcogen bonding donors increases with weaker binding anions. Triflate, however, is not suitable due to its participation in the catalytic pathway. A solvent screening revealed a more efficient activation in less polar solvents and a pronounced effect of solvent (and catalyst) on endo : exo diastereomeric ratio. Finally, new chiral chalcogen bonding catalysts were applied but provided only racemic mixtures of the product.
Striking Size and Doping Effects of Ti−Si−O Clusters on Methane Conversion Reactions
Authors: Yuan Bowei , Tang Shi‐Ya , Zhou Shaodong
Published: June 2022

The size and doping effects in methane activation by Ti−Si−O clusters have been explored by using a combination of gas‐phase experiments and quantum chemical calculations. All [TimSinO2(m+n)].+ (m+n=2, 3, 8, 10, 12, 14) clusters can extract a hydrogen from methane. The associated energies and structures have been revealed in detail. Moreover, the doping and size effects have been discussed involving generalized Kohn‐Sham energy decomposition analysis, natural population analysis, Wiberg bond indexes (WBI), molecular polarity index (MPI) and ionization potential (IP). It suggested that Ti−Si−O clusters with a low Ti : Si ratio is beneficial to adsorbing methane and inclination to the hydrogen atom transfer (HAT) process, while the clusters with a high Ti : Si ratio favors the generation of a terminal oxygen radical and results in high reactivity and turnover frequency. On the other hand, a cluster size of m+n=12 is recommended considering both the ionization potential and the turnover frequency of the reaction. Hopefully, these finding will be instructive for the design of high‐performance Ti−Si−O catalyst toward methane conversion.
Bistriazoles Connected Through a B−B Bridge, Synthesized by Highly Selective Dipolar Cycloaddition Reactions of a Diazido‐diborane(4)
Authors: Vogler Daniel , Schöner Maximilian , Kaifer Elisabeth , Himmel Hans‐Jörg
Published: June 2022

In this work we report the first cycloaddition reactions between a diazido diborane(4) and terminal alkynes, providing unique access to bis‐1,2,3‐triazoles connected by a B−B bridge. The catalyst‐free reactions are highly selective, yielding exclusively the thermodynamically disfavored bis‐1,4‐triazoles. The reactions are enabled by the high thermal stability of the diazido‐diborane [B(hpp)(N3)]2 (hpp=1,3,4,6,7,8‐hexahydro‐2H‐pyrimido[1,2‐α]pyrimidinate). Due to the tetra‐coordinate boron atoms in this reagent, the reactions are tolerant with respect to the introduction of Lewis‐basic groups at the alkyne. The scope and limitations of the new reactions are discussed.
Cucurbit[7]uril Inhibits Islet Amyloid Polypeptide Aggregation by Targeting N Terminus Hot Segments and Attenuates Cytotoxicity
Authors: Maity Debabrata , Oh Yujeong , Gremer Lothar , Hoyer Wolfgang , Magzoub Mazin , Hamilton Andrew D.
Published: June 2022

Invited for the cover of this issue is the group of Prof. Hamilton at New York University. The image depicts how cucurbit[7]uril inhibits islet amyloid polypeptide self‐assembly that rescues rat insulinoma cells (a pancreatic β‐cell model) from assembly‐associated cytotoxicity. Read the full text of the article at 10.1002/chem.202200456.
Structural Elucidation and Total Synthesis of Trichodermotin A, A Natural α‐Glucosidase Inhibitor from Trichoderma asperellum
Authors: Yu Muyuan , Wang Fengqing , Yao Si , Zang Yi , Dai Chong , Liang Yu , Zhang Mi , Gu Lianghu , Zhu Hucheng , Zhang Yonghui
Published: June 2022

Comprehensive Summary

A pair of alkaloid enantiomers possessing a novel 1‐oxaspiro[4.4]non‐3‐ene‐2,7‐dione skeleton, trichodermotin A (1), was obtained from the fungus Trichoderma asperellum. Spectroscopic data, X‐ray diffraction, and ECD calculations were used to establish its structure and absolute configuration. (−)‐1 showed significant α‐glucosidase inhibitory activity (IC50 = 10.1 μmol/L vs. 60.1 μmol/L of positive control). A plausible biosynthetic pathway originating from L‐β‐phenylalanine was proposed, and a facile total synthesis was further accomplished. The key reaction of our synthetic strategy was a domino aza‐Michael/lactonization in one pot, leading to the pivotal 4‐amino‐oxaspiro[4.4]octane scaffold.
The modeling study of the effect of morphological behaviors of extracellular matrix fibers on the dynamic interaction between tumor cells and antitumor immune response
Authors: Jia Guanjie , Yang Hao , Wang Kaiqun , Huang Di , Chen Weiyi , Shan Yanhu
Published: June 2022

Low response rate limits the effective application of immunotherapy, in which the interactions between tumor cells and immune cells play a significant role. The strength of regulation could be mediated by extracellular matrix (ECM) fibers, which is still insufficiently investigated. In the study, the cellular potts model was utilized to explore the role of morphological properties of ECM in tumor–immune interactions. It was observed that high‐density random ECM fibers delayed the interaction between tumor cells and T cells. Moreover, the tumor–immune interactions were ECM morphology‐specific. Radial ECM fibers exhibited weaker inhibitory role in the process of contact between tumor cells and T cells. This study provided the useful mechanism of tumor–immune interactions from the viewpoint of morphological effect of ECM fibers, facilitating improving the efficiency of immunotherapy.
An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes
Authors: Malik Akshay , Dhattarwal Harender S. , Kashyap Hemant K.
Published: June 2022

Recent development of novel water‐immiscible green solvents known as hydrophobic deep eutectic solvents (HDESs) has opened the gates for applications requiring media where the presence of water is undesirable. Ever since they were prepared, researchers have used HDESs in diverse fields such as extraction processes, CO2 sequestration, membrane formation, and catalysis. The structure and dynamics associated with the species comprising HDESs guide their suitability for specific applications. For example, varying the alkyl tail length of the HDES components significantly affects the dynamics of the components and thus helps in tuning the efficiency of extraction processes. However, the development of HDESs is still in infancy, and very few theoretical studies are available in the literature that help in understanding the structure and dynamics of HDESs. This review highlights the recent studies focused on the microscopic structure and dynamics of HDESs and their potential applications, particularly in extraction processes. We have also provided a glimpse of how the integration of experiments and computational techniques can help delineate the mechanism of extraction processes.
Preclinical platforms to study therapeutic efficacy of human γδT‐cells for oncology indications
Authors: Barisa Marta , Fowler Daniel , Nattress Callum , Fisher Jonathan
Published: June 2022

In this commentary, we discuss recent advances in the study of γδT cell‐based immunotherapeutics. As an allo‐compatible cell therapy chassis without clear functional homologs in mice, γδT cells represent a challenge and an opportunity for preclinical modelling. We discuss some of the techniques and approaches that can be used to demonstrate and characterise γδT cell behaviour in biomimetic systems.
Urinary red blood cell‐derived microparticles and phosphatidylserine‐exposing red blood cells in glomerular and non‐glomerular hematuria patients
Authors: Charoensappakit Awirut , Puapatanakul Pongpratch , Praditpornsilpa Kearkiat , Palasuwan Attakorn , Noulsri Egarit , Palasuwan Duangdao
Published: June 2022

Background

Distinguishing glomerular hematuria (GH) from non‐glomerular hematuria (NGH) is important for treating the cause of hematuria. We aimed to determine red blood cell‐derived microparticles (RMPs) and phosphatidylserine (PS)‐exposing red blood cells (RBCs) and evaluate their use for diagnosing GH and NGH patients.

Methods

All patients received a physical assessment and urological examination. Dysmorphic RBCs (dRBCs) and acanthocytes were examined using a light microscope. The urinary RMPs and PS‐exposing RBCs were determined using flow cytometry.

Results

The ratio of RMPs to RBCs was higher in GH patients (n = 29) than in NGH patients (n = 29) (1.06 vs. 0.18). The value of the sum of the PS‐exposing RBCs plus RMPs divided by the number of RBCs was higher in GH patients than in NGH patients (48.3% vs. 19.4%). The percentage of RBCs was higher in GH patients than in NGH patients (54.5% vs. 21.8%). Similarly, both the percentages of acanthocytes and of non‐acanthocytes were higher in GH patients than in NGH patients (29% vs. 7.7% and 25.4% vs. 14.2%, respectively). The ROC‐AUC of the number of PS‐exposing RBCs plus RMPs divided by the number of RBCs was 0.9 (95% CI, 0.82–0.97), and the RMPs:RBCs ratio was 0.88 (95% CI, 0.79–0.98). The ROC‐AUCs of the dRBCs and acanthocytes were 0.85 (95% CI, 0.78–0.95) and 0.88 (95% CI, 0.8–0.97), respectively.

Conclusions

Patients with GH have higher numbers of urinary RMPs and PS‐exposing RBCs. These parameters have the potential to be predictive tools for classifying GH in the future.
Catalytic Isomerization of Unprotected Mesoionic N‐Heterocyclic Olefins and Their Lewis Adducts
Authors: Qu Zheng‐Wang , Zhu Hui , Streubel Rainer , Grimme Stefan
Published: June 2022

Recently, novel C5‐position‐unprotected mesoionic N‐heterocyclic olefins (mNHOs) demonstrated interesting reactivity with various Lewis acids during experiments. In this work, extensive DFT calculations show that the isomerization of such mNHOs to more Lewis‐basic mesoionic carbenes (MICs) can be efficiently catalyzed by weakly protic acidic species including C5‐unprotected mNHOs, their Lewis adducts and polar H2O molecules, thus enabling catalytic isomerization and H‐isotope exchange of such mNHOs and their Lewis adducts.
Deriving and comparing priority vectors for revised‐leachate pollution index (r‐LPI) using three fuzzy analytic hierarchy process
Authors: Bisht Tribhuwan Singh , Kumar Dinesh , Alappat Babu J.
Published: June 2022

The revised leachate pollution index (r‐LPI) developed using the fuzzy Delphi analytical hierarchy process (FDAHP) is a technique to quantify the contamination potential of landfill leachate. The steps involved in the formulation of the r‐LPI were the selection of parameters using the fuzzy Delphi method (FDM), computing relative weights of the parameters using the fuzzy analytic hierarchy process (FAHP), development of sub‐index curves, and finally, aggregation of sub‐indices. The calculation of the weights of the parameters has been one of the most crucial steps in the formulation of any index. The analytical hierarchy process (AHP) has been one of the most widely used methods for weight calculation. However, it was observed that the traditional AHP is inadequate to deal with the imprecise or ambiguous nature of linguistic evaluation. It also involves human subjectivity, which induces ambiguity and entails the use of decision‐making with uncertainty. The fuzzy AHP method was used in this study to overcome this difficulty. Three significant issues pertinent and essential to fuzzy AHP were addressed: contradictions in expert judgment, deriving priorities from inconsistent fuzzy judgment matrices, and group decision‐making. In this study, three FAHP methods: Chang's extent analysis (EA) method, fuzzy preference programming (FPP), and logarithmic fuzzy preference programming (LFPP) were used to calculate the weights of the r‐LPI parameters. The results of these methods were then compared, and it was determined that LFPP was the most suitable method for calculating the weights of the r‐LPI parameters.
Repurposing and recycling wind turbine blades in the United States
Authors: Martini Ryan , Xydis George
Published: June 2022

Wind energy is increasing in popularity worldwide as a low‐cost, carbon‐free energy technology. As deployment continues to grow, owners will need to conduct planning for end‐of‐life strategies for the components that are large in volume, number, and not readily recyclable in the operational form. Since the first modern, utility‐scale wind turbines were installed in the 1990s, a large number of wind turbines are reaching their end‐of‐life (typically 20–25 years) and each year an increasing number of blades are decommissioned. To stimulate efficient turbine reuse and recycling industry, industry and public funding should be allocated to support: research and testing processing methods, implementing potential applications of the material, and incentivizing successful applications for reuse of the material. Since the blades are the component most exposed to the elements and least easily recycled, this work will focus on their post‐operation applications. This work discusses the current literature on wind turbine blade reuse and recycling, proposing suggestions for applications of the materials and policy support. The work also estimates that by the years 2043–2050, only based on the development zones announced on the East Coast, a cumulative of 2.4 million metric tons (t) of wind blades would be needed to be repurposed and recycled.
Experimental and numerical engine cycle setup for a dual fuel hydrogen, methane, and hythane with diesel to assess the effect of water injection and nozzle geometry
Authors: Taghavifar Hadi
Published: June 2022

In this study, the potential of gaseous fuels such as hydrogen, methane, and hythane in combination with diesel fuel is assessed in a closed loop thermodynamic framework. An experimental test is conducted with basic diesel fuel and then the model is configured based on the realistic one‐cylinder diesel engine to evaluate the robustness and reliability of the simulation. The model is accurate in terms of in‐cylinder pressure, temperature, and heat release rate within the 3% error band. In principle, three blend cases of diesel50%—methane50%, diesel50%—hydrogen50%, and diesel50%—hythane50% are compared with baseline neat diesel from engine performance to emissions characteristics. For hythane and hydrogen‐involved fuels, the 10% water injection effect is analyzed as well to damp the high flammability and ignition intensity of hydrogen. The findings indicate that the entropy generation in hythane and hydrogen is markedly higher than in diesel case, while water injection can slightly decrease the entropy amount. It is shown that D50H50 has more fuel consumption in higher nozzle diameter (28% at 1 mm hole diameter), while in lower nozzle size range pure diesel fuel consumption dominates. The results revealed that D50Hy40W10 is particularly effective for elevated torque at lower nozzle hole values since the steam contributes toward maximized pressure and the exerted force. The increase of the nozzle number resulted in the CO content increase in the exhaust with the burning temperature reduction.
Relationships between autistic traits, taste preference, taste perception, and eating behaviour
Authors: Chen Na , Watanabe Katsumi , Kobayakawa Tatsu , Wada Makoto
Published: June 2022

Individuals with autism spectrum disorder exhibit atypical taste perception and eating behaviours. However, little is known about the effect of autistic traits on eating behaviours in the general population. This study explored the relationships between autistic traits, taste preferences, taste perceptions, and eating behaviours among Japanese population using an online questionnaire survey. The results showed significant effect of autistic traits on eating behaviours, that people with higher autistic traits tended to have higher selective eating behaviours, such as increased sensitivity to food texture and mixed flavours. Moreover, selective eating behaviours were correlated with the preference for sour taste and aftertaste sensitivity. Those results suggest that eating behaviours can be influenced by the relationship between autistic traits, taste perceptions, and taste preferences. We discuss these results in the context of previous findings, and future investigations into the possibility of solving selective eating problems in individuals with autism.
Medical cannabis and automobile accidents: Evidence from auto insurance
Authors: Ellis Cameron M. , Grace Martin F. , Smith Rhet A. , Zhang Juan
Published: June 2022

While many states have legalized medical cannabis, many unintended consequences remain under‐studied. We focus on one potential detriment–the effect of cannabis legalization on automobile safety. We examine this relationship through auto insurance premiums. Employing a modern difference‐in‐differences framework and zip code‐level premium data from 2014 to 2019, we find that premiums declined, on average, by $22 per year following medical cannabis legalization. The effect is more substantial in areas near a dispensary and in areas with a higher prevalence of drunk driving before legalization. We estimate that existing legalization has reduced health expenditures related to auto accidents by almost $820 million per year with the potential for a further $350 million reduction if legalized nationally.
Centralization and innovation: Competing priorities for health systems?
Authors: Scarffe Andrew D. , Coates Alison , Evans Jenna M. , Grudniewicz Agnes
Published: June 2022

Over the last 15 years, there has been a trend in Canada to centralise the provision of health services that were previously administratively and fiscally decentralised. Canadian policy rhetoric on centralisation often identifies improved innovation as an anticipated outcome. This paper challenges the assumed relationship between centralisation and innovation. We incorporate evidence from the management literature into the debate on the structure of health systems to explore the effects that centralisation is likely to have on innovation in health systems. The findings of this paper will be of interest to international policymakers, who are currently grappling with the prospect of maintaining a decentralised approach or adopting a more centralised health system structure in the future.
Retroperitoneal myofibroblastoma in an 88‐year‐old male
Authors: Watari Shogo , Ichikawa Takaharu , Shiraishi Hiromasa , Sakuma Takafumi , Kubota Risa , Kusumi Norihiro , Tsushima Tomoyasu , Nagakita Keina , Shinno Yoko
Published: June 2022

Introduction

Extramammary myofibroblastomas are extremely rare.

Case presentation

The patient was an 88‐year‐old male. He presented for evaluation of frequent urination and a “pushing up” sensation from the groin during defecation. Thorough physical and radiographic examinations revealed a retroperitoneal tumor on the right side of the rectum. The pathologic examination of the biopsy tissue showed that the tumor was unlikely to be malignant. Nevertheless, the patient was symptomatic and thus underwent a laparoscopic tumor resection through a transperitoneal approach. The tumor was circumscribed with a solid capsule. Based on the pathologic findings, which included immunostaining, the tumor was diagnosed as a myofibroblastoma. There was no evidence of a recurrence 6 months postoperatively.

Conclusion

We present this case with the clinical course and surgical findings, and discuss the possibility of establishing a preoperative pathologic diagnosis of a myofibroblastoma.
Microlens‐assisted microscopy for biology and medicine
Authors: Trukhova Anna , Pavlova Marina , Sinitsyna Olga , Yaminsky Igor
Published: June 2022

The addition of dielectric transparent microlens in the optical scheme is an effective and at the same time simple and inexpensive way to increase the resolution of a light microscope. For these purposes, spherical and cylindrical microlenses with a diameter of 1–100 μm are usually used. The microlens focuses the light into a narrow beam called a photonic nanojet. An enlarged virtual image is formed, which is captured by the objective of the light microscope. In addition to microscopy, the microlenses are successfully applied to amplify optical signals, increase the trapping force of optical tweezers and are used in microsurgery. This review considers the design and principle of microlens‐assisted microscopes. Taking into account the advantages of the super‐resolution optical methods for research in life science, the examples of the use of the microlenses in biomedical practice are discussed in detail.
Antidiabetic and neuroprotective effects of a novel repaglinide analog
Authors: Foroumadi Roham , Baeeri Maryam , Asgarian Sara , Emamgholipour Zahra , Goli Fereshteh , Firoozpour Loghman , Keykhaei Mohammad , Gholami Mahdi , Dehpour Ahmad R. , Abdollahi Mohammad , Foroumadi Alireza
Published: June 2022

Repaglinide (RPG) is an oral insulin secretagogue used in the treatment of diabetes. In this study, a new RPG analog was synthesized. Its antidiabetic and neuroprotective effects on dorsal root ganglions (DRG) in streptozotocin (STZ)‐induced diabetic rats were examined compared to RPG. To assess the effects of 2‐methoxy‐4‐(2‐((3‐methyl‐1‐(2‐(piperidin‐1‐yl)phenyl)butyl)amino)‐2‐oxoethoxy)benzoic acid (OXR), the impact of OXR on oxidative stress biomarkers, motor function, and the expression of the glutamate dehydrogenase 1 (GLUD1), SLC2A2/glucose transporter 2 (GLUT2), and glucokinase (GCK) genes in STZ‐induced diabetic rats were assessed. DRGs were examined histologically using hemotoxylin and eosin staining. Molecular docking was used to investigate the interactions between OXR and the binding site of RPG, the ATP‐sensitive potassium (KATP) channel. Following 5 weeks of treatment, OXR significantly increased the level of total antioxidant power, decreased reactive oxygen species, and lipid peroxidation in the DRGs of diabetic rats. OXR restored STZ‐induced pathophysiological damages in DRG tissues. Administration of OXR improved motor function of rats with diabetic neuropathy. Administration of 0.5 mg/kg OXR reduced blood glucose while promoting insulin, mainly through upregulation of messenger RNA expression of GLUD1, GLUT2, and GCK in the pancreas. Molecular docking revealed a favorable binding mode of OXR to the KATP channel. In conclusion, OXR has neuroprotective effects in diabetic rats by lowering oxidative stress, lowering blood glucose, and stimulating insulin secretion. We report that 0.5 mg/kg OXR administration was the most effective concentration of the compound in this study. OXR may be a promising target for further research on neuroprotective antidiabetic molecules.
Second malignant neoplasms after treatment of 1487 children and adolescents with acute lymphoblastic leukemia—A population‐based analysis of the Austrian ALL‐BFM Study Group
Authors: Poyer Fiona , Dieckmann Karin , Dworzak Michael , Tamesberger Melanie , Haas Oskar , Jones Neil , Nebral Karin , Köhrer Stefan , Moser Reinhard , Kropshofer Gabriele , Peters Christina , Urban Christian , Mann Georg , Pötschger Ulrike , Attarbaschi Andishe ,   the Austrian Berlin‐Frankfurt‐Münster (BFM) Study Group
Published: June 2022

Second malignant neoplasms (SMN) after primary childhood acute lymphoblastic leukemia (ALL) are rare. Among 1487 ALL patients diagnosed between 1981 and 2010 in Austria, the 10‐year cumulative incidence of an SMN was 1.1% ± 0.3%. There was no difference in the 10‐year incidence of SMNs with regard to diagnostic‐, response‐ and therapy‐related ALL characteristics except for a significantly higher incidence in patients with leukocytes ≥50.0 G/L at ALL diagnosis (2.1% ± 1.0% vs. 0% for 20.0–50.0 G/L, and 1.0% ± 0.3% for < 20.0 G/L; p = 0.033). Notably, there was no significant difference in the incidence of SMNs between patients with or without cranial radiotherapy (1.2% ± 0.5% vs. 0.8% ± 0.3%; p = 0.295). Future strategies must decrease the incidence of SMNs, as this event still leads to death in one‐third (7/19) of the patients.
How to infuse an organizational culture with humility: A study of humble behaviors and practices
Authors: Cuenca Renato , Tomei Patricia Amelia , Mello Sylvia Freitas
Published: June 2022

In order to analyze the role of humility in organizational culture, in this work, companies that formally declared humility as a value on their home pages were chosen, as to understand the internalization of this value in their practices and behaviors. The research adopted a descriptive‐analytical design with a qualitative approach, and in addition to secondary data referring to the organizational profile, fourteen semi‐structured interviews were analyzed with the decision‐making elite of the seven chosen organizations, based on theoretical‐deductive categories of the construct identified in the organizational literature. The study identified that the value of humility is effectively present in behaviors and practices of these organizations, which develop a culture of humility in their daily lives. The main results indicate that the internalized value of humility is associated with (i) shared behaviors; (ii) clear self‐assessment of strengths and weaknesses; (iii) culture of innovation; (iv) awareness of their own limitations; (v) support for third‐party contributions and feedback practices (vi) employee learning; (vii) culture of praise. The results reinforced the main categories and constructs for a Humble Organizational Culture (HOC) Model, opening opportunities for future research that explore the elaboration of cultural maturity diagnoses and humility measurement instruments in the organizational field.
Probiotic consumption can modify the resilience of periodontal tissues in rats under experimental periodontitis
Authors: de Oliveira Luiz Fernando Ferreira , Silva Pedro Henrique Felix , Salvador Sergio Luiz , Ervolino Edilson , Casarin Renato , Figueiredo Luciene , Ricoldi Milla Tavares , de Souza Sérgio Luís Scombatti , Furlaneto Flavia , Messora Michel Reis
Published: June 2022

Background

This study evaluated the effects of systemic administration of Bifidobacterium animalis subsp. lactis HN019 (B. lactis HN019) on experimental periodontitis (EP) in rats.

Methods

Thirty‐two rats were allocated to groups C (control), C‐HN019 (probiotic), EP (EP only), and EP‐HN019 (EP+probiotic). From day 0, the animals of C‐HN019 and EP‐HN019 groups received B. lactis HN019 (1 × 109 CFU/ml) daily. On the 14th day, the animals of EP and EP‐HN019 groups received silk ligature around mandibular molars. Animals were euthanized on the 28th day. Samples of oral biofilm, gingival tissues, blood serum, and mandible were obtained for microtomographic, histomorphometric, microbiological, and immunological analyses. Data were statistically analyzed (p < 0.05).

Results

Group EP‐HN019 presented significantly less alveolar bone loss when compared with Group EP in histomorphometric and microtomographic analyses. In gingival tissue and serum, Group EP‐HN019 presented lower proinflammatory/anti‐inflammatory cytokines ratios than Group EP. Group EP‐HN019 showed higher expression of beta‐defensins and less TRAP‐positive cells than Group EP. Group EP presented higher gene expression of Ifng and lower gene expression of Foxp3 when compared with Group EP‐HN019 in gingival tissue. In oral biofilm, EP‐HN019 group presented a lower percentage of species similar to Fusobacterium periodonticum and a higher percentage of species similar to Actinomyces gereneseriae, Actinomyces israelli, and Streptococcus gordonii when compared with Group EP. There was a significant increase of B. lactis HN019 after administration of probiotic therapy in oral biofilm of Group EP‐HN019.

Conclusion

The consumption of B. lactis HN019 promotes a protective effect against alveolar bone loss by modifying local and systemic microbiological and immunoinflammatory parameters.
Eurotium cristatum reduces obesity by alleviating gut microbiota dysbiosis and modulating lipid and energy metabolism
Authors: Zhang Bo , Ren Daoyuan , Zhao Aiqing , Cheng Yukun , Liu Yueyue , Zhao Yan , Yang Xingbin
Published: June 2022

BACKGROUND

Fuzhuan brick tea (FBT) has been shown to prevent obesity, but little is known about the effect of Eurotium cristatum, a critical fungus from FBT. This study examined the effects of live E. cristatum on lipid metabolism and gut microbiota composition in high‐fat (HF) diet‐induced obese mice.

RESULTS

Male HF diet‐fed mice were treated with E. cristatum for 12 weeks. The results showed that E. cristatum administration caused strong inhibition against HF‐induced body weight gain, dyslipidemia and liver oxidative stress damage. Additionally, Firmicutes and Bacteroidetes in phylum level and six types of bacterial including short‐chain fatty acids (SCFAs) producing bacteria in genus level were found to be significantly changed in E. cristatum treated mice as compared to HF fed mice. As expected, E. cristatum could increase total SCFAs levels in feces. Interestingly, E. cristatum markedly increased the proportion of Akkermansia to resist obesity. Functional prediction analysis indicated that E. cristatum changed lipid and energy metabolism. Furthermore, E. cristatum ingestion can modulate hepatic acetyl‐coa carboxylase (ACC), fatty acid synthase (FAS), sterol‐regulatory element binding protein‐1 (SREBP‐1) and adipose uncoupling protein‐1 (UCP‐1) expression.

CONCLUSION

Conclusively, these findings suggest that E. cristatum can prevent the HF‐induced lipid accumulation and other complications by modulating gut microbiota, lipid and energy metabolism. © 2022 Society of Chemical Industry.
The effects of tea polyphenol‐ozonated slurry ice treatment on the quality of large yellow croaker (Pseudosciaena crocea) during chilled storage
Authors: Lan Weiqing , Chen Xuening , Zhao Yanan , Xie Jing
Published: June 2022

BACKGROUND

The aim of the current study was to evaluate the synergistic effects of tea polyphenol‐ozonated slurry ice on the quality, physicochemical and protein characteristics of large yellow croaker (Pseudosciaena crocea) during chilled (4 °C) storage. To 0.3% tea polyphenol combined with ozone water was added sodium chloride until the salt concentration reached 3.3% and with the use of an ice machine the mixture formed the tea polyphenol‐ozonated slurry ice. Microbial [total viable count (TVC)], physicochemical [total volatile basic nitrogen (TVB‐N), K value], myofibrillar fragmentation index (MFI), Ca2+‐ATPase activity, total sulfhydryl content, intrinsic fluorescence intensity (IFI), Fourier‐transform infrared (FTIR), scanning electron microscopy (SEM) and sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS‐PAGE) were analyzed during chilled (4 °C) storage for up to 20 days.

RESULTS

The results showed that tea polyphenol‐ozonated slurry ice could effectively inhibit the increase of TVC and TVB‐N, reduce the degree of adenosine triphosphate (ATP) degradation. In addition, the tea polyphenol‐ozonated slurry ice treatment could protect the integrity of myosin in myofibrillar proteins (MPs) by inhibiting the decrease of Ca2+‐ATPase activity and the content of total sulfhydryl. Furthermore, the tea polyphenol‐ozonated slurry ice presented a superiorly protective effect on protein structure in MPs as manifested by the results of IFI, FTIR and SDS‐PAGE. It was possible that due to the addition of tea polyphenol, the antioxidant activity of this complex was significantly improved.

CONCLUSION

The tea polyphenol‐ozonated slurry ice treatment can maintain the quality of large yellow croaker by decreasing the damage of MP caused by the interaction between microorganisms and endogenous enzymes. © 2022 Society of Chemical Industry.
UPLC‐Q‐TOF‐MS and NMR identification of structurally different A‐type procyanidins from peanut skin and their inhibitory effect on acrylamide
Authors: Zhao Li , Yan Fangfang , Lu Qun , Tang Cuie , Wang Xiaohong , Liu Rui
Published: June 2022

BACKGROUND

Flavan‐3‐ol polyphenols have been shown to have great advantages in inhibiting acrylamide formation. However, flavan‐3‐ol polyphenols have structures that vary significantly, and existing research has been focused mainly on the effects of B‐type procyanidins and structural units of procyanidins. This study aims to separate structurally different A‐type procyanidins from peanut skin and compare their inhibitory effects on acrylamide in an asparagine‐glucose simulation system.

RESULTS

Five compounds were separated and identified from peanut skin, including epicatechin‐(2β → O → 7, 4β → 8)‐ent‐epicatechin, epicatechin‐(2β → O → 7, 4β → 8)‐epicatechin, epicatechin‐(2β → O → 7, 4β → 8)‐epicatechin‐(4β → 6)‐catechin, epicatechin‐(2β → O → 7, 4β → 8)‐epicatechin‐(4β → 8)‐catechin, and epicatechin‐(4β → 6)‐epicatechin‐(4β → 8, 2β → O → 7)‐catechin. All the procyanidins could reduce the acrylamide content within a certain range of concentrations. The highest inhibition rates followed the order of compound 5 (A‐type trimer) > compound 1 (A‐type dimer) > compound 2 (A‐type dimer) > compound 3 (A‐type trimer) > compound 4 (A‐type trimer). Comparison analysis showed that structurally different A‐type procyanidins have various inhibitory effects on acrylamide production, which may be related to their spatial configuration and bond connection mode.

CONCLUSION

Overall, our findings help us to gain a better understanding of the relationship between the structure of procyanidins and their inhibitory effects on acrylamide, particularly the inhibitory effect of A‐type. There are potential practical implications if people use A‐type procyanidins as acrylamide inhibitors in hot processed foods in the future. © 2022 Society of Chemical Industry.
Degradation of malathion and carbosulfan by ozone water and analysis of their by‐products
Authors: Wang Shan , Li Chen , Wang Jiayi , Wu Zhaohui , Bai Bing , Tian Jinlong , Wu Zhaoxia
Published: June 2022

BACKGROUND

Treatment by ozone water is an emerging technology for the degradation of pesticide residues in vegetables. The ozone dissolved in water generates hydroxyl radicals (·OH), which are highly effective in decomposing organic substances, such as malathion and carbosulfan.

RESULTS

We found that washing pak choi with 2.0 mg L−1 ozone water for 30 min resulted in 58.3% and 38.2% degradation of the malathion and carbosulfan contents respectively, and the degradation rates of these pure pesticides were 83.0% and 66.3% respectively. In addition, the ‘first + first’‐order reaction kinetic model was found to predict the trend in the pesticide content during ozone water treatment. Based on investigations by gas chromatography–mass spectrometry combined with the structures of the pesticides, the by‐products generated were identified. More specifically, the ozonation‐based degradation of carbosulfan generated carbofuran and benzofuranol, whereas malathion produced succinic acid and phosphoric acid. Although some new harmful compounds were formed during degradation of the parent pesticides, these were only present in trace quantities and were transient intermediates that eventually disappeared during the reaction.

CONCLUSION

Our results, therefore, indicate that ozone water treatment technology for pesticide residue degradation is worthy of popularization and application. © 2022 Society of Chemical Industry.
Computer‐assisted in vitro reconstitution of purine degradation pathway to lower the purine content in food
Authors: Shi Ping , Zhang Ran , Liu Chen‐Xing , Wu Shun‐Xin , Pei Xiao‐Dong , Jiang Yi , Liu Xiao‐Ling , Wang Cheng‐Hua
Published: June 2022

BACKGROUND

With the increasing prevalence of gout and its etiological hyperuricemia, dietary control of gout based on low‐purine food according to patients' eating habits is becoming a better choice compared to the existing drug treatment such as allopurinol with notorious side effects. Reconstructing the purine metabolic pathway in vitro to degrade purine substances in food into natural functional allantoin appears to be an innovative method for preparing nutritious and healthy food of low purine content. The present study reports a computer‐assisted in vitro reconstruction of four purinolytic enzymes metabolizing adenosine into allantoin to reduce purine content in food for personalized dietary control of hyperuricemia and gout.

RESULTS

Under the optimum reaction conditions of 40 °C and pH 7, 0.1 U of enzymes and 0.5 mmol L−1 adenosine determined by an orthogonal test design, 16 different enzyme complexes were experimentally tested. The tested enzyme composition and allantoin production values were used as input and output to build a three‐layer back propagation artificial neural network (BP‐ANN) model, which was further optimized by a genetic algorithm (GA). The optimum enzyme complex predicted by the GA‐BP‐ANN model produced 248.08±7.832 μmol L−1 allantoin, which was 19.9% higher than equimolar mixture of enzymes, and also more efficiently lowered purine contents in beer, as well as beef and yeast extracts.

CONCLUSION

This is the first in vitro reconstitution of complete purine metabolic pathway by combining ANN and GA technologies, with successful application with respect to lowering the purine content in food, indicating a promising application of computer‐assisted in vitro reconstitution of purinolytic pathway in low‐purine food to prevent hyperuricemia and gout. © 2022 Society of Chemical Industry.
Pecan plantation age influences the structures, ecological networks, and functions of soil microbial communities
Authors: Liu Junping , Tang Yujie , Bao Jiashu , Wang Hankun , Peng Fangren , Chen Mengyun , Tan Pengpeng
Published: June 2022

Understanding the changes in microbial communities with increasing plantation age will benefit the maintenance of forest health and productivity and the sustainable development of forest ecosystems. It was not clear before this study whether the microbial communities of pecan (Carya illinoinensis) plantations would be affected by their age. Based on MiSeq sequencing, we studied the effects of pecan age on microbial communities in rhizosphere and bulk soils of pecan plantations for the first time. The results showed that the bacterial alpha diversity of bulk soil increased significantly with plantation age (p < 0.05), while fungal alpha diversity was less influenced by pecan age in both rhizosphere soil and bulk soil. Pecan age significantly influenced bacterial and fungal community structure in both rhizosphere soil and bulk soil (p < 0.01). The fungal community composition was significantly altered by pecan age as reflected by the increase (22% in bulk soil and 18.4% in rhizosphere soil) and decrease (25.4% in bulk soil and 22.7% in rhizosphere soil) in the relative abundances of Basidiomycetes and Ascomycota, respectively. The pH value and available phosphorus (AP) content drove microbial community structure and composition. The bacterial network was more complex than the fungal network, and simpler and more stable microbial network structures occurred in the rhizosphere soil than in the bulk soil. With increasing plantation age, the risk from plant pathogenic fungi increased, and the functional profile of the microbial community shifted from the nitrogen cycle to carbon utilization.
Mechanistic insights into the key marine dimethylsulfoniopropionate synthesis enzyme DsyB/DSYB
Authors: Li Chun‐Yang , Crack Jason C. , Newton‐Payne Simone , Murphy Andrew R. J. , Chen Xiu‐Lan , Pinchbeck Benjamin J. , Zhou Shun , Williams Beth T. , Peng Ming , Zhang Xiao‐Hua , Chen Yin , Le Brun Nick E. , Todd Jonathan D. , Zhang Yu‐Zhong
Published: June 2022

Marine algae and bacteria produce approximately eight billion tonnes of the organosulfur molecule dimethylsulfoniopropionate (DMSP) in Earth's surface oceans annually. DMSP is an antistress compound and, once released into the environment, a major nutrient, signaling molecule, and source of climate‐active gases. The methionine transamination pathway for DMSP synthesis is used by most known DMSP‐producing algae and bacteria. The S‐directed S‐adenosylmethionine (SAM)‐dependent 4‐methylthio‐2‐hydroxybutyrate (MTHB) S‐methyltransferase, encoded by the dsyB/DSYB gene, is the key enzyme of this pathway, generating S‐adenosylhomocysteine (SAH) and 4‐dimethylsulfonio‐2‐hydroxybutyrate (DMSHB). DsyB/DSYB, present in most haptophyte and dinoflagellate algae with the highest known intracellular DMSP concentrations, is shown to be far more abundant and transcribed in marine environments than any other known S‐methyltransferase gene in DMSP synthesis pathways. Furthermore, we demonstrate in vitro activity of the bacterial DsyB enzyme from Nisaea denitrificans and provide its crystal structure in complex with SAM and SAH‐MTHB, which together provide the first important mechanistic insights into a DMSP synthesis enzyme. Structural and mutational analyses imply that DsyB adopts a proximity and desolvation mechanism for the methyl transfer reaction. Sequence analysis suggests that this mechanism may be common to all bacterial DsyB enzymes and also, importantly, eukaryotic DSYB enzymes from e.g., algae that are the major DMSP producers in Earth's surface oceans.
Preconditioned least‐squares Petrov–Galerkin reduced order models
Authors: Lindsay Payton , Fike Jeffrey , Tezaur Irina , Carlberg Kevin
Published: June 2022

In this article, we introduce a methodology for improving the accuracy and efficiency of reduced order models (ROMs) constructed using the least‐squares Petrov–Galerkin (LSPG) projection method through the introduction of preconditioning. Unlike prior related work, which focuses on preconditioning the linear systems arising within the ROM numerical solution procedure to improve linear solver performance, our approach leverages a preconditioning matrix directly within the minimization problem underlying the LSPG formulation. Applying preconditioning in this way has the potential to improve ROM accuracy for several reasons. First, preconditioning the LSPG formulation changes the norm defining the residual minimization, which can improve the residual‐based stability constant bounding the ROM solution's error. The incorporation of a preconditioner into the LSPG formulation can have the additional effect of scaling the components of the residual being minimized to make them roughly of the same magnitude, which can be beneficial when applying the LSPG method to problems with disparate scales (e.g., dimensional equations, multi‐physics problems). Importantly, we demonstrate that an “ideal preconditioned” LSPG ROM (a ROM in which the preconditioner is the inverse of the Jacobian of its corresponding full order model) emulates projection of the full order model solution increment onto the reduced basis. This quantity defines a lower bound on the error of a ROM solution for a given reduced basis. By designing preconditioners that approximate the Jacobian inverse—as is common in designing preconditioners for solving linear systems—it is possible to obtain a ROM whose error approaches this lower bound. The proposed approach is evaluated on several mechanical and thermo‐mechanical problems implemented within the Albany HPC code and run in the predictive regime, with prediction across material parameter space. We demonstrate numerically that the introduction of simple Jacobi, Gauss‐Seidel, and ILU preconditioners into the proper orthogonal decomposition/LSPG formulation reduces significantly the ROM solution error, the reduced Jacobian condition number, the number of nonlinear iterations required to reach convergence, and the wall time (thereby improving efficiency). Moreover, our numerical results reveal that the introduction of preconditioning can deliver a robust and accurate solution for test cases in which the unpreconditioned LSPG method fails to converge.