bluuebunny/crossref_metadata_2025 huggingface dataset:
Performance of PEDOTOH/PEO‐based Supercapacitors in Agarose Gel Electrolyte
Authors: Wustoni Shofarul , Nikiforidis Georgios , Ohayon David , Inal Sahika , Indartono Yuli Setyo , Suendo Veinardi , Yuliarto Brian
Published: June 2022

Poly(3,4‐ethylenedioxythiophene) (PEDOT) is a prime example of conducting polymer materials for supercapacitor electrodes that offer ease of processability and sophisticated chemical stability during operation and storage in aqueous environments. Yet, continuous improvement of its electrochemical capacitance and stability upon long cycles remains a major interest in the field, such as developing PEDOT‐based composites. This work evaluates the electrochemical performances of hydroxymethyl PEDOT (PEDOTOH) coupled with hydrogel additives, namely poly(ethylene oxide) (PEO), poly(acrylic acid) (PAA), and polyethyleneimine (PEI), fabricated via a single‐step electrochemical polymerization method in an aqueous solution. The PEDOTOH/PEO composite exhibits the highest capacitance (195.2 F g−1) compared to pristine PEDOTOH (153.9 F g−1), PEDOTOH/PAA (129.9 F g−1), and PEDOTOH/PEI (142.3 F g−1) at a scan rate of 10 mV s−1. The PEDOTOH/PEO electrodes were then assembled into a symmetrical supercapacitor in an agarose gel. The type of supporting electrolytes and salt concentrations were further examined to identify the optimal agarose‐based gel electrolyte. The supercapacitors comprising 2 M agarose‐LiClO4 achieved a specific capacitance of 27.6 F g−1 at a current density of 2 A g−1, a capacitance retention of ∼94% after 10,000 charge/discharge cycles at 10.6 A g−1, delivering a maximum energy and power densities of 11.2 Wh kg−1 and 17.28 kW kg−1, respectively. The performance of the proposed supercapacitor outperformed several reported PEDOT‐based supercapacitors, including PEDOT/carbon fiber, PEDOT/CNT, and PEDOT/graphene composites. This study provides insights into the effect of incorporated hydrogel in the PEDOTOH network and the optimal conditions of agarose‐based gel electrolytes for high‐performance PEDOT‐based supercapacitor devices.
Whole exome analysis reveals the genomic profiling related to chemo‐resistance in Chinese population with limited‐disease small cell lung cancer
Authors: Yu Jiangyong , Zhao Shuangtao , Su Zhe , Song Chengli , Wu Lihong , Wang Jingbo , Bi Nan , Wang Lvhua
Published: June 2022

Purpose

The mechanism of chemo‐resistance in small cell lung cancer (SCLC) is unclear. This study aims to explore the resistance‐related genomic profiles of residual tumors after neo‐adjuvant chemotherapy (NAC) in SCLC through the whole‐exome sequencing (WES).

Experimental design

A total of 416 limited diseases (LD) SCLC patients underwent surgery were retrospectively analyzed, of which 40 patients received NAC. Then we selected 29 patients undergoing NAC (n = 19) and chemotherapy naïve (CTN, n = 10) to perform WES sequence with formalin‐fixed paraffin‐embedded samples including tumor and paired para‐tumor.

Results

In total, single nucleotide variation and mutation rate were similar between NAC and CTN groups. The mutation signatures were significantly discrepant between NAC and CTN groups, as well as among patients with partial response (PR), stable disease (SD), and progressive disease. There were more copy number variation deletions in NAC group compared with CTN group. The inactivation of TP53 and RB1 were the most significantly events in both NAC and CTN groups. RB1 nonsense mutations were recurrent in NAC group (9/19 vs. 0/9, 47.4% vs. 0%) with favorable survival, while the frame‐shift deletions were frequent in CTN group (3/9 vs. 3/19, 33.3% vs.15.8%). Integrated function enrichment revealed that the frequently mutant genes were involved in cell cycle, metabolic reprogramming, and oncogenic signaling pathways in NAC group, such as BTG2 pathway, glycolysis in senescence and P53 pathway. A total of 27 genes presented frequently mutant in NAC group and might played a positive role in drug resistance. Multiple genes including BRINP3, MYH6, ST18, and PCHD15, which were associated with prognosis, occurred mutant frequently in PR and SD groups.

Conclusion

Residual tumors after neo‐adjuvant therapy exhibited different mutation signature spectrum. Multiple genes including RB1 nonsense mutations, BRINP3, MYH6, ST18, and PCHD15 were with frequent mutation in residual tumors, which might participate chemo‐resistance and influenced the prognosis in patients with limited disease SCLC.
Ru(II)‐Catalyzed Hydroarylation of in situ Generated 3,3,3‐Trifluoro‐1‐propyne by C−H Bond Activation: A Facile and Practical Access to β‐Trifluoromethylstyrenes
Authors: Vuagnat Martin , Tognetti Vincent , Jubault Philippe , Besset Tatiana
Published: June 2022

In this study, a practical and straightforward synthesis of β‐(E)‐trifluoromethylstyrenes by ruthenium‐catalyzed C−H bond activation was developed. The readily available and inexpensive 2‐bromo‐3,3,3‐trifluoropropene (BTP), a non‐ozone depleting reagent, was used as a reservoir of 3,3,3‐trifluoropropyne. With this approach, the monofunctionalization of a panel of heteroarenes was possible in a safe and scalable manner (23 examples, up to 87 % yield). Mechanistic investigations and density functional theory (DFT) calculations were also conducted to get a better understanding of the mechanism of this transformation. These studies suggested that 1) a cyclometallated ruthenium complex enabled the transformation, 2) this complex exhibited high efficiency in this transformation compared to the commercially available [RuCl2(p‐cymene)]2 and 3) the mechanism proceeded through a bis‐cyclometallated ruthenium intermediate for the carboruthenation step.
Corporate social responsibility and innovative work behavior: Is it a matter of perceptions?
Authors: Alhmoudi Ranya Saeed , Singh Sanjay Kumar , Caputo Francesco , Riso Teresa , Iandolo Francesca
Published: June 2022

The paper investigates the influence of corporate social responsibility (CSR) on Innovative Work Behavior (IWB). The mediating role of passion and organizational commitment is investigated for understanding the effect of CSR on companies' performances by adopting a behavioral perspective. Based on the exploratory literature review conducted during the period from 1990 to 2020 and the content analysis method, we explore possible relationships among CSR, human capital, relational capital, and innovative work behaviors. Building upon the evidence from the literature review, a set of propositions have been defined for supporting both researchers and practitioners in enhancing the potential contribution of perceived CSR to improve companies' performance by adopting IWBs. The paper enriches ongoing debate about CSR's influence on companies' performances investigating the pivotal role of perceptions about CSR practices in influencing IWBs within the business field.
Caregiver appraisals of lucid episodes in people with late‐stage Alzheimer's disease or related dementias
Authors: Griffin Joan M. , Kim Kyungmin , Gaugler Joseph E. , Biggar Virginia S. , Frangiosa Theresa , Bangerter Lauren R. , Batthyany Alexander , Finnie Dawn M. , Lapid Maria I.
Published: June 2022

Introduction

Little is known about how family caregivers who witness unexpected and spontaneous communication among people in late stages of Alzheimer's disease and related dementias (ADRD) appraise these episodes of lucidity (EL).

Methods

In an electronic, cross‐sectional survey for former and current caregivers who participate in UsAgainstAlzheimer's A‐LIST®, participants who reported witnessing an EL were asked how positive and stressful ELs were, if they made or changed decisions based on an EL, and what resources they sought out to explain ELs.

Results

Caregivers reported 72% of ELs to be quite a bit or very positive, 17% to be stressful, and 10% to be both stressful and positive. Twelve percent of caregivers changed care plans because of ELs and 13% sought out information about ELs.

Discussion

These exploratory data suggest caregiver reactions to EL vary. Caregivers may change or postpone care decisions due to EL, and few resources exist to address caregiver queries about EL.
Distribution models calibrated with independent field data predict two million ancient and veteran trees in England
Authors: Nolan Victoria , Gilbert Francis , Reed Tom , Reader Tom
Published: June 2022

Large, citizen‐science species databases are powerful resources for predictive species distribution modeling (SDM), yet they are often subject to sampling bias. Many methods have been proposed to correct for this, but there exists little consensus as to which is most effective, not least because the true value of model predictions is hard to evaluate without extensive independent field sampling. We present here a nationwide, independent field validation of distribution models of ancient and veteran trees, a group of organisms of high conservation importance, built using a large and internationally unique citizen‐science database: the Ancient Tree Inventory (ATI). This validation exercise presents an opportunity to test the performance of different methods of correcting for sampling bias, in the search for the best possible prediction of ancient and veteran tree distributions in England. We fitted a variety of distribution models of ancient and veteran tree records in England in relation to environmental predictors and applied different bias correction methods, including spatial filtering, background manipulation, the use of bias files, and, finally, zero‐inflated (ZI) regression models, a new method with great potential to investigate and remove sampling bias in species data. We then collected new independent field data through systematic surveys of 52 randomly selected 1‐km2 grid squares across England to obtain abundance estimates of ancient and veteran trees. Calibration of the distribution models against the field data suggests that there are around eight to 10 times as many ancient and veteran trees present in England than the records currently suggest, with estimates ranging from 1.7 to 2.1 million trees compared to the 200,000 currently recorded in the ATI. The most successful bias correction method was systematic sampling of occurrence records, although the ZI models also performed well, significantly predicting field observations and highlighting both likely causes of undersampling and areas of the country in which many unrecorded trees are likely to be found. Our findings provide the first robust nationwide estimate of ancient and veteran tree abundance and demonstrate the enormous potential for distribution modeling based on citizen‐science data combined with independent field validation to inform conservation planning.
Archetype models upscale understanding of natural pest control response to land‐use change
Authors: Alexandridis Nikolaos , Marion Glenn , Chaplin‐Kramer Rebecca , Dainese Matteo , Ekroos Johan , Grab Heather , Jonsson Mattias , Karp Daniel S. , Meyer Carsten , O'Rourke Megan E. , Pontarp Mikael , Poveda Katja , Seppelt Ralf , Smith Henrik G. , Walters Richard J. , Clough Yann , Martin Emily A.
Published: June 2022

Control of crop pests by shifting host plant availability and natural enemy activity at landscape scales has great potential to enhance the sustainability of agriculture. However, mainstreaming natural pest control requires improved understanding of how its benefits can be realized across a variety of agroecological contexts. Empirical studies suggest significant but highly variable responses of natural pest control to land‐use change. Current ecological models are either too specific to provide insight across agroecosystems or too generic to guide management with actionable predictions. We suggest obtaining the full benefit of available empirical, theoretical, and methodological knowledge by combining trait‐mediated understanding from correlative studies with the explicit representation of causal relationships achieved by mechanistic modeling. To link these frameworks, we adapt the concept of archetypes, or context‐specific generalizations, from sustainability science. Similar responses of natural pest control to land‐use gradients across cases that share key attributes, such as functional traits of focal organisms, indicate general processes that drive system behavior in a context‐sensitive manner. Based on such observations of natural pest control, a systematic definition of archetypes can provide the basis for mechanistic models of intermediate generality that cover all major agroecosystems worldwide. Example applications demonstrate the potential for upscaling understanding and improving predictions of natural pest control, based on knowledge transfer and scientific synthesis. A broader application of this mechanistic archetype approach promises to enhance ecology's contribution to natural resource management across diverse regions and social‐ecological contexts.
Synthesis of Thioalkynes by Desilylative Sonogashira Cross‐Coupling of Aryl Iodides and 1‐Methylthio‐2‐(trimethylsilyl)ethyne
Authors: Cao Yang , Huang Yang , Blakemore Paul R.
Published: June 2022

1‐Methylthio‐2‐arylethynes were prepared in typically good to excellent yields from aryl iodides and 1‐methylthio‐2‐(trimethylsilyl)ethyne by a desilylative Sonogashira process employing Pd(PPh3)2Cl2 (1 mol %), CuI (10 mol %), and K2CO3 (6 eq) in MeOH‐Et3N‐THF (1 : 2 : 2) at rt for 16 h (16 examples, 31–96 % yield). Thienyl and pyridyl iodides (all regioisomers) were similarly converted to 1‐methylthio‐2‐heteroarylethynes (5 examples, 54–82 % yield). The process was extended with similar results to comparable thioalkynes substituted on sulfur by n‐alkyl, s‐alkyl, and aryl groups.
H‐Bonded Counterion‐Directed Catalysis: Enantioselective Gold(I)‐Catalyzed Addition to 2‐Alkynyl Enones as a Case Study
Authors: Martí Àlex , Montesinos‐Magraner Marc , Echavarren Antonio M. , Franchino Allegra
Published: June 2022

H‐bonded counterion‐directed catalysis (HCDC) is a strategy wherein a chiral anion that is hydrogen‐bonded to the achiral ligand of a metal complex is responsible for enantioinduction. In this article we present the application of H‐bonded counterion‐directed catalysis to the Au(I)‐catalyzed enantioselective tandem cycloisomerization‐addition reaction of 2‐alkynyl enones. Following the addition of C‐, N‐ or O‐centered nucleophiles, bicyclic furans were obtained in moderate to excellent yield and enantioselectivity (28 examples, 59–96 % yield, 62 : 38 to 95 : 5 er). The optimal catalytic system, comprising a phosphinosquaramide Au(I) chloride complex and a BINOL‐derived phosphoramidate Ag(I) salt, was selected in a combinatorial fashion from a larger library with the help of high‐throughput screening. An enantioselectivity switch of ca. 120 Δee% was observed upon addition of the achiral Au(I) component to the Ag(I) salt.
Visible‐Light‐Driven Photocatalyst‐Free Preparation of (Z)β‐Nitroacrylate Isomers
Authors: Khan Muhammad Ehtisham Ibraheem , Di Terlizzi Lorenzo , Protti Stefano , Palmieri Alessandro
Published: June 2022

We herein report the visible light driven isomerization (E)‐β‐nitroacrylates into the corresponding (Z) stereoisomers. The reaction occurs under both batch and continuous flow conditions and afford the desired isomer in quantitative yields.
Sensory processing and eating behaviours in autism: A systematic review
Authors: Nimbley Emy , Golds Lisa , Sharpe Helen , Gillespie‐Smith Karri , Duffy Fiona
Published: June 2022

Objectives

The aim of this study was to assess the relationship between sensory processing and a broad range of eating behaviours across the lifespan.

Methods

Five electronic databases of published and unpublished quantitative studies were systematically searched, evaluated for risk of bias and synthesised according to identified eating outcomes.

Results

Across 25 studies, there was consistent evidence of a relationship between sensory processing and a range of eating behaviours. There was early evidence for the particular role of taste/smell sensitivities, as well as hypersensitivities, although future research is needed looking at different sensory patterns and modalities. There was also tentative evidence to suggest this relationship extends across development.

Discussion

Study findings are discussed in relation to implications for sensory‐based eating and feeding interventions and the development of eating disorders. Methodological and conceptual limitations are discussed and suggestions for future research are made to address these limitations. A broader investigation of multi‐sensory issues and clearly defined eating behaviours, including disordered eating in clinically diagnosed samples, will allow for a more comprehensive and robust understanding of the relationship between sensory processing and eating behaviours in autism.
Factors associated with potentially inappropriate opioid use in community‐living older adults consulting in primary care
Authors: D’Aiuto Carina , Lunghi Carlotta , Guénette Line , Berbiche Djamal , Pitrou Isabelle , Bertrand Karine , Vasiliadis Helen‐Maria
Published: June 2022

Objective

To study the factors associated with opioid use and potentially inappropriate opioid use (PIOU) in primary care older adults with non‐cancer pain referring to the conceptual framework developed by the American Agency for Healthcare Research and Quality.

Methods

This is a secondary analysis of health survey and medico‐administrative data from Québec, Canada. Individuals aged ≥65 were recruited between 2011 and 2013 in primary care clinics to participate in face‐to‐face interviews. The sample included 945 older adults without a malignant tumor over the study period or any tumor in the 2 years surrounding opioid use. Opioid use within a 3 year follow‐up period was identified from the public drug plan database. Potentially inappropriate opioid use (PIOU) was defined using the American Geriatrics Society Beers 2019 list. Multinomial regression analyses were performed to study the factors (patient, pain, substance use, provider, healthcare system) associated with opioid use and PIOU.

Results

In this sample of older adults, 26.2% used an opioid and 18.4% were categorized as PIOU. Factors associated with PIOU compared to opioid use included female sex, higher psychological distress, number of emergency department visits, and recruitment type of healthcare practice. Factors associated with PIOU compared to no use included female sex, country of origin, presence of a trauma, physical/psychiatric multimorbidity, number of outpatient consultations, pain severity/type, and number of prescribers.

Conclusions

Mental health and health system factors were associated with PIOU. Results highlights the importance of a multidisciplinary approach for pain management, and the urgent need for implementing organizational efforts to optimize opioid use in primary care.
Genetic and methylation profiles distinguish benign, malignant and spitzoid melanocytic tumors
Authors: Zaremba Anne , Jansen Philipp , Murali Rajmohan , Mayakonda Anand , Riedel Anna , Philip Manuel , Rose Christian , Schaller Jörg , Müller Hansgeorg , Kutzner Heinz , Möller Inga , Stadtler Nadine , Kretz Julia , Sucker Antje , Bankfalvi Agnes , Livingstone Elisabeth , Zimmer Lisa , Horn Susanne , Paschen Annette , Plass Christoph , Schadendorf Dirk , Hadaschik Eva , Lutsik Pavlo , Griewank Klaus
Published: June 2022

Accurate classification of melanocytic tumors is important for prognostic evaluation, treatment and follow‐up protocols of patients. The majority of melanocytic proliferations can be classified solely based on clinical and pathological criteria, however in select cases a definitive diagnostic assessment remains challenging and additional diagnostic biomarkers would be advantageous. We analyzed melanomas, nevi, Spitz nevi and atypical spitzoid tumors using parallel sequencing (exons of 611 genes and 507 gene translocation analysis) and methylation arrays (850k Illumina EPIC). By combining detailed genetic and epigenetic analysis with reference‐based and reference‐free DNA methylome deconvolution we compared Spitz nevi to nevi and melanoma and assessed the potential for these methods in classifying challenging spitzoid tumors. Results were correlated with clinical and histologic features. Spitz nevi were found to cluster independently of nevi and melanoma and demonstrated a different mutation profile. Multiple copy number alterations and TERT promoter mutations were identified only in melanomas. Genome‐wide methylation in Spitz nevi was comparable to benign nevi while the Leukocytes UnMethylation for Purity (LUMP) algorithm in Spitz nevi was comparable to melanoma. Histologically difficult to classify Spitz tumor cases were assessed which, based on methylation arrays, clustered between Spitz nevi and melanoma and in terms of genetic profile or copy number variations demonstrated worrisome features suggesting a malignant neoplasm. Comprehensive sequencing and methylation analysis verify Spitz nevi as an independent melanocytic entity distinct from both nevi and melanoma. Combined genetic and methylation assays can offer additional insights in diagnosing difficult to classify Spitzoid tumors.
Polyethylenimine‐grafted mesoporous silica nanocarriers markedly enhance the bactericidal effect of curcumin against Staphylococcus aureus biofilm
Authors: Pamukçu Ayşenur , Erdoğan Nursu , Şen Karaman Didem
Published: June 2022

The recalcitrant nature of biofilms makes biofilm‐associated infections difficult to treat in modern medicine. Biofilms have a high vulnerability to antibiotics and a limited repertoire of antibiotics could act on matured biofilms. This issue has resulted in a gradual paradigm shift in drug discovery and therapy, with anti‐biofilm compounds being sought alongside new drug carriers. A potential solution to biofilm‐associated infections is to employ antibiofilm treatments, which can attack biofilms from many fronts. Nanocarriers are promising in this regard because they can be entrapped within biofilm matrix, target biofilm matrix, and provide local drug delivery to inhibit biofilm formation. In this study, curcumin as an herbal extract was loaded onto hyperbranched polyethylenimine‐grafted mesoporous silica nanoparticles (F‐MSN‐PEI/Cur) and antibiofilm investigations were performed. The F‐MSN‐PEI/Cur design has the potential to repurpose curcumin as an antibiofilm agent by increasing its solubility and lowering the required doses for the destruction of matured biofilms as well as suppressing biofilm development. Using imaging and spectroscopic techniques, we assessed the interaction of F‐MSN‐PEI/Cur with Staphylococcus aureus bacterial cells and determined the impact of F‐MSN‐PEI/Cur on eradicating matured biofilms and suppressing biofilm development. The F‐MSN‐PEI/Cur design is highly cytocompatible, as observed by the cytotoxicity screening investigations on L929 mouse fibroblast cell line. Our findings show that F‐MSN‐PEI/Cur design reduces the bacterial cell viability, inhibits biofilm formation, and induces biofilm eradication, which is attributed to F‐MSN‐PEI/Cur design having the potential to repurpose the antibiofilm activity of curcumin‐herbal extract.
Modulatory action of withaferin‐A on oxidative damage through regulation of inflammatory mediators and apoptosis via PI3K/AKT signaling pathway in high cholesterol‐induced atherosclerosis in experimental rats
Authors: Zhang Liwei , Shi Yan , Yan Mingzhu , Zhang Guangping
Published: June 2022

Statins are widely used lipid‐lowering drugs that cause many side effects. Withaferin‐A (WA), popularly known as Ashwagandha, an ancient Indian medicinal herb, is extracted from Withania somnifera. Anti‐atherosclerotic effect of WA has been reported. However, the mechanism remains unknown. Hence, we planned this study to investigate the WA mechanism in anti‐atherosclerosis in a rat model. High cholesterol diet (HCD) was fed to induce atherosclerosis in Sprague–Dawley male rats. Five groups (N = 6 rats/group) were fed with normal diet, HCD, WA (10 mg/kg bw)+HCD, lovastatin (LS: 10 mg/kg bw)+HCD, WA (10 mg/kg bw) respectively for 90 days. Statistical analysis was done by GraphPad Prism (version 8.0.1) using one‐way analysis of variance (ANOVA) followed by post hoc Duncan's test with a significance level (p < 0.05). The groups were compared for lipid profiles, oxidative stress, lipid peroxidation, inflammatory mediators, apoptotic markers, and histopathological changes in the liver and aorta. Treatment with HCD increased lipid profiles, inflammatory mediators, cytokines, and lipid peroxidation. WA as well as LS treatments significantly decreased these parameters restored the antioxidant status, and reduced lipid peroxidation (p < 0.05). Histopathological studies revealed that WA and LS reduced the hepatic fat and aortic plaque. WA reduced apoptosis via augmentation of phosphatidylinositol 3‐kinase (PI3K)/protein kinase B (Akt) pathway; increased B‐cell lymphoma 2 and inhibited Bcl‐2 associated X‐protein proapoptotic proteins; TNF receptor superfamily member 6, Bim, caspase‐3, and ‐9; demonstrated significant hypolipidemic and anti‐inflammatory properties against HCD induced atherosclerosis in rats through regulation of inflammatory mediators and apoptosis via the PI3K/AKT signaling pathway.
Induction of endoplasmic reticulum stress markers in an acromegaly model
Authors: Elbialy Abdalla , Sulidan Kaidiliayi , Bhuiyan Afsana , Igarashi Yoji , Yoshitake Kazutoshi , Yamanouchi Dai , Kang Junsu , Asakawa Shuichi , Watabe Shugo , Kinoshita Shigeharu
Published: June 2022

Acromegaly is a growth hormone (GH) excess pathological condition in humans. Acromegaly is associated with somatic disfigurement and a wide range of systemic manifestations such as arthritis, neuropathy, carpal tunnel syndrome, reproductive disorders, metabolic disorders, and gastrointestinal complications. The influence of excess GH on the cellular level could aid in understanding the root causes of acromegaly‐related health complications. Previously, we found that GH excess induces DNA damage to somatic cells and reduces the stem cells number and causes premature aging. In this study, an in‐depth analysis of the acromegaly RNAseq data revealed the disruption of important biological cellular processes. Gene set enrichment analysis, heatmap, and enrichment analysis of acromegaly RNAseq data revealed induction of endoplasmic reticulum (ER) stress markers in various organs. Interestingly, the induction of ER stress was even more apparent than in aged zebrafish. Splicing of box‐binding protein‐1 (XBP1) mRNA is a hallmark of ER stress. Therefore, we quantified spliced XBP1 mRNA in different organs of our acromegaly model. Thus, our study emphasizes the importance of ER stress in GH oversecretion, which is important for understanding the health complications of acromegaly.
Engineering the simply asymmetric Morita–Baylis–Hillman reactions in a sodium phosphate buffer system: from enzyme‐ to proline‐catalyzed transformation
Authors: Du Xiaotong , Cui Xiumei , Gao Xiaojun , Zheng Liangyu
Published: June 2022

BACKGROUND

The Morita–Baylis–Hillman (MBH) reaction is an important carbon–carbon bond‐forming reaction. However, most MBH reactions suffer disadvantages such as high amounts of catalyst and hazardous solvents, long reaction time, low reactivity and selectivity. In this study, simple, cost‐effective and eco‐friendly asymmetric MBH reactions are developed.

RESULTS

Following our previous study that the commercial Candida antarctica lipase B (lipase CalB)‐catalyzed MBH reaction can be activated by introducing an amide compound as a co‐catalyst, the recombinant lipase CalBs (rCalBs) with polyamino acid tails are first attempted to be used in the same MBH reaction, but unfortunately chiral MBH products are not obtained. Enoate reductase (ER) is found to give asymmetric transformation of the MBH reaction with a conversion of 36.9% and enantiomeric excess (e.e.p) of 6.8% when other enzyme resources are expanded. According to the observation that the surface amino acids of ER may be key factors in achieving the MBH reaction, single amino acids are subsequently selected to catalyze the MBH reactions, and the reverse configuration of (R)‐ and (S)‐MBH products with e.e.p of 63.9% and 62.1% for single l‐proline‐ and d‐proline‐catalyzed MBH reactions are reached only in 4 h, respectively.

CONCLUSION

Proline can afford the asymmetric MBH reaction in a sodium phosphate buffer only in 4 h without the help of the other co‐catalyst in our study, which is superior to those reported. The study aims to introduce a novel phenomenon observed from enzyme‐catalyzed to proline‐catalyzed MBH reactions. © 2022 Society of Chemical Industry (SCI).
Measuring biological materials mechanics with atomic force microscopy ‐ Determination of viscoelastic cell properties from stress relaxation experiments
Authors: Weber Andreas , Benitez Rafael , Toca‐Herrera José L.
Published: June 2022

Cells are complex, viscoelastic bodies. Their mechanical properties are defined by the arrangement of semiflexible cytoskeletal fibers, their crosslinking, and the active remodeling of the cytoskeletal network. Atomic force microscopy (AFM) is an often‐used technique for the study of cell mechanics, enabling time‐ and frequency‐dependent measurements with nanometer resolution. Cells exhibit time‐dependent deformation when stress is applied. In this work, we have investigated the stress relaxation of HeLa cells when subjected to a constant strain. We have varied the applied force (1, 2, 4, and 8 nN) and pause time (1, 10, and 60 s) to check for common assumptions for the use of models of linear viscoelasticity. Then, we have applied three models (standard linear solid, five element Maxwell, power law rheology) to study their suitability to fit the datasets. We show that the five element Maxwell model captures the stress relaxation response the best while still retaining a low number of free variables. This work serves as an introduction and guide when performing stress relaxation experiments on soft matter using AFM.

Research Highlights

Cells exhibit linear viscoelastic properties when subjected to stress relaxation measurements at the studied different forces and times.

The stress relaxation is best described by a five element Maxwell model.

All three used models capture a softening and fluidization of cells when disrupting actin filaments.
The Clean Water Act and biosolids: A 45‐year chronological review of biosolids land application research in Colorado
Authors: Ippolito James A. , Barbarick Ken A.
Published: June 2022

The 1972 U.S. Clean Water Act set forth the generation of biosolids. In Colorado, biosolids land application research began in 1976 and continues today. Pastureland research suggested that sewage effluent could effectively be land applied to benefit aboveground plant growth and to polish water prior to reaching receiving waters. Forest wildfire–affected ecosystems can also benefit from biosolids applications; application rates of up to 80 Mg ha−1 can lead to greater plant establishment, soil microbial activity, and nutrient turnover and reduced nutrient and heavy metal concentrations in runoff below livestock and USEPA drinking water standards. Long‐term (24‐yr) observations in oil shale–mined lands showed that biosolids (up to 224 Mg ha−1) can have a positive effect on microbial‐mediated nutrient cycling and, in turn, on aboveground plant community structure. Biosolids applications of up to 40 Mg ha−1 in high‐elevation shrubland ecosystems, dominated by Mo‐containing shale deposits, can aid in reducing imbalances between Mo and Cu in soils and plants; excessive plant Mo, when consumed by ruminants, can lead to molybdenosis. Biosolids and lime applications (both at 224 Mg ha−1) have been shown to improve long‐term reclamation success on acid‐generating, heavy metal–containing fluvial mine tailings. Thirty years of grazing land research, focused on soil and aboveground plant benefits, illustrate that soil health and plant productivity can be improved to the greatest extent at biosolids application rates close to 10 Mg ha−1. Finally, 40 yr of dryland agroecosystem research (a) have helped identify biosolids N fertilizer equivalency (∼8 kg N Mg−1) and thus dryland winter wheat application rates (e.g., 4.5–6.7 dry Mg ha−1); (b) have identified first‐year mineralization rates of 25–32%; (c) dispute the “time bomb” theory by showing that plant metal uptake follows an exponential rise to a maximum; (d) showcase economic return to producers via increased wheat grain protein content; (e) suggest that biosolids‐borne proteins and their degradation products are labile C and N sources; (f) have led to long‐term tracking of micronutrients and heavy metals in soils and revealed that plants–soil concentrations will not lead to groundwater degradation and that plants are safe for human consumption; and (g) have shown that biosolids provide Zn, helping to overcome soil deficiencies and enhancing Zn biofortification in wheat grain. This latter point is important because ∼2 billion people globally suffer from Zn deficiencies. Forty‐five years of research in Colorado have proven that biosolids can enhance environmental quality, improve soil health, and produce healthy food products.
Between proper and strong edge‐colorings of subcubic graphs
Authors: Hocquard Herve , Lajou Dimitri , Lužar Borut
Published: June 2022

In a proper edge‐coloring the edges of every color form a matching. A matching is induced if the end‐vertices of its edges induce a matching. A strong edge‐coloring is an edge‐coloring in which the edges of every color form an induced matching. We consider intermediate types of edge‐colorings, where edges of some colors are allowed to form matchings, and the remaining form induced matchings. Our research is motivated by the conjecture proposed in a recent paper of Gastineau and Togni on ‐packing edge‐colorings asserting that, for subcubic graphs, by allowing three additional induced matchings, one is able to save one matching color. We prove that every graph with maximum degree 3 can be decomposed into one matching and at most eight induced matchings, and two matchings and at most five induced matchings. We also show that if a graph is in class I, the number of induced matchings can be decreased by one, hence confirming the above‐mentioned conjecture for class I graphs.
Initial experience with robotic liver resection: Audit of 120 consecutive cases at a single center and comparison with open and laparoscopic approaches
Authors: Kato Yutaro , Sugioka Atsushi , Kojima Masayuki , Kiguchi Gozo , Mii Satoshi , Uchida Yuichiro , Takahara Takeshi , Uyama Ichiro
Published: June 2022

Background/Purpose

Surgical outcomes and utility of robotic liver resection (RLR) are undefined.

Methods

We retrospectively studied perioperative and long‐term outcomes of the single‐center 120 RLRs including non‐anatomic (NAR, n = 58) and anatomic (AR, n = 62) resections. To evaluate the feasibility and safety of RLR, perioperative outcomes of RLR (n = 103) were compared to those of open (OLR, n = 495) or laparoscopic (LLR, n = 451) resection in liver‐only resections without reconstruction, using 1:1 propensity score matching (PSM). The changing trends from the earlier to the later RLR cases were assessed. Long‐term outcomes were compared between RLR and LLR.

Results

Various types of RLR with different surgical difficulties were performed, with mostly comparable postoperative morbidity between AR and NAR, or among AR subtypes. In segmentectomy and sectionectomy cases, perioperative outcomes significantly improved in the later period. In comparison between PSM‐selected OLR and RLR cases (87:87), RLR had significantly longer operative time, less blood loss, and shorter hospital stay. PSM‐selected LLR and RLR cases (91:91) showed comparable perioperative outcomes. Overall and recurrence‐free survivals after RLR for newly diagnosed hepatocellular carcinoma and colorectal metastasis were comparable to those after LLR.

Conclusions

RLR is applicable to various types of liver resection with acceptable perioperative and long‐term outcomes in select patients.
Cementless femoral stem revision in total hip arthroplasty: The periprosthetic clamshell fracture. A biomechanical investigation
Authors: Kastner Philipp , Zderic Ivan , Gueorguiev Boyko , Richards Geoff , Schauer Bernhard , Hipmair Günter , Gotterbarm Tobias , Schopper Clemens
Published: June 2022

To biomechanically evaluate the stability of a diaphyseal anchored, cementless stem in presence of a proximal periprosthetic femoral medial wall defect compared to the stability of the same stem in an intact femur. Twenty‐two paired human cadaveric femora were pairwise assigned either to a fracture group, featuring a proximal medial wall defect involving 40% of the stems medial anchorage distance, or a control group with native specimens. The specimens were tested under a monotonically increasing cyclic axial loading protocol. Load, cycles, and multiples of the respective body weight at implant loosening was measured. Mean initial stiffness was 2243.9 ± 467.9 N/mm for the intact group and 2190.1 ± 474.8 N/mm for the fracture group. Mean load to loosening in the intact group was 3210.5 ± 1073.2 N and 2543.6 ± 576.4 N in the fracture group, with statistical significance. Mean cycles to loosening in the intact group were 27104.9 ± 10731.7 and 20431.5 ± 5763.7 in the fracture group, with statistical significance. Mean multiples of the resulting body weight at loosening in the intact group was 548.3 ± 158.5% and 441.4 ± 104% in the fracture group, with statistical significance. A medial wall defect involving 40% of the medial anchorage distance significantly decreases the axial stability of a diaphyseal anchored stem. However, mechanical failure occurred beyond physiological stress. At loosening rates of about 4 multiples of the body weight in the fracture group, a “safe zone” remains of a 0.5‐fold body weight for maximum loads and twofold body weights for average loads.
Surgical management of 144 diffuse‐type TGCT patients in a single institution: A 20‐year cohort study
Authors: Spierenburg Geert , van der Heijden Lizz , Mastboom Monique J. L. , van Langevelde Kirsten , van der Wal Robert J. P. , Gelderblom Hans , van de Sande Michiel A. J.
Published: June 2022

Background and Objectives

Surgery is the mainstay of treatment for tenosynovial giant cell tumors (TGCTs). However, achieving a cure through surgery alone remains challenging, especially for the diffuse‐type (D‐TGCT).

Methods

Our goal was to describe the surgical management of patients with D‐TGCT related to large joints, treated between 2000 and 2020. We analyzed the effect of (in)complete resections and the presence of postoperative tumor (POT) on magnetic resonance imaging (MRI) on radiological and clinical outcomes.

Results

A total of 144 patients underwent open surgery for D‐TGCT, of which 58 (40%) had treatment before. The median follow‐up was 65 months. One hundred twenty‐five patients underwent isolated open surgeries, in which 25 (20%) patients' D‐TGCT was intentionally removed incompletely. POT presence on the first postoperative MRI was observed in 64%. Both incomplete resections and POT presence were associated with higher rates of radiological progression (73% vs. 44%; Kaplan–Meier [KM] analysis p = 0.021) and 59% versus 7%; KM analysis p < 0.001), respectively. Furthermore, patients with POT presence clinically worsened more often than patients without having POT (49% vs. 24%; KM analysis p = 0.003).

Conclusions

D‐TGCT is often resected incompletely and tumor presence is commonly observed on the first postoperative MRI, resulting in worse radiological and clinical outcomes. Therefore, surgeons should try to remove D‐TGCT in toto and consider other multimodal therapeutic strategies.
Manipulation of ROS‐Responsiveness of Dextran with Thioether Side Chains
Authors: Xia Yu , Chen Runhai , Ke Yue , Xiang Zehong , Ma Zhifang , Shi Qiang , Ataullakhanov Fazly I. , Panteleev Mikhail
Published: June 2022

Reactive oxygen species (ROS) ‐responsive polymers based on thioether are widely used for drug delivery platforms for inflammation. However, the responsiveness of polymers containing thioether is not tunable toward acute and chronic inflammation, respectively. Here, two kinds of thioether molecules are grafted onto the hydroxyl groups of dextran in a simple and efficient manner. The grafted dextrans possess similar macromolecular structure and molecular weight and easily form nanoparticles. Cytotoxicity experiments confirm the good biocompatibility and antioxidant properties of the nanoparticles. The grafted dextran responds to typical ROS molecules in the order of ClO−, KO2, and H2O2. As for H2O2, the grafted dextran with ester group responds much faster than that of the carbonate group, with the former responding six times faster than the latter, which provides opportunities for the treatment of acute and chronic inflammation, respectively. It is demonstrated that the ester group near the thioether renders the oxidation reaction easier than that of carbonate groups because of its lower energy barrier, which is directly confirmed by an in situ nuclear magnetic resonance (NMR) investigation of the reaction between model molecules and H2O2 and theoretical computational simulations. In conclusion, the ROS responsiveness of grafted dextran can be tunable and the grafted dextran exhibits the potential application in inflammation‐involved disease.
A new fractional derivative for solving time fractional diffusion wave equation
Authors: Liu Jian‐Gen , Yang Xiao‐Jun , Feng Yi‐Ying , Geng Lu‐Lu
Published: June 2022

The time fractional diffusion wave equation, which can be used to describe wave diffusion process in this article, was studied. First of all, the diffusion wave equation can be extended to a generalized form in the sense of the regularized version of the
‐Hilfer–Prabhakar (
‐H‐P) fractional operator involving the
‐Mittag‐ function. Then, the analytical solution can be obtained for this considered equation by using the Laplace transform method and the Fourier transform method. As a result, a novel and general solution have been found. The unconventional solution may show new result and phenomenon to wave diffusion process. Thereby, this research provides a window for discovering new diffusion mechanisms.
Computational 199Hg NMR
Authors: Rusakova Irina L. , Rusakov Yuriy Yu. , Krivdin Leonid B.
Published: June 2022

Theoretical background and fundamental results dealing with the computation of mercury chemical shifts and spin–spin coupling constants are reviewed with a special emphasis on their stereochemical behavior and applications.
Gene editing provides a tool to investigate genes involved in reproduction of pigs
Authors: Geisert Rodney D. , Johns Destiny N. , Pfeiffer Caroline A. , Sullivan Riley M. , Lucas Caroline G. , Simintiras Constantine A. , Redel Bethany K. , Wells Kevin D. , Spencer Thomas E. , Prather Randall S.
Published: June 2022

CRISPR‐Cas9 gene editing technology provides a method to generate loss‐of‐function studies to investigate, in vivo, the specific role of specific genes in regulation of reproduction. With proper design and selection of guide RNAs (gRNA) designed to specifically target genes, CRISPR‐Cas9 gene editing allows investigation of factors proposed to regulate biological pathways involved with establishment and maintenance of pregnancy. The advantages and disadvantages of using the current gene editing technology in a large farm species is discussed. CRISPR‐Cas9 gene editing of porcine conceptuses has generated new perspectives for the regulation of endometrial function during the establishment of pregnancy. The delicate orchestration of conceptus factors facilitates an endometrial proinflammatory response while regulating maternal immune cell migration and expansion at the implantation site is essential for establishment and maintenance of pregnancy. Recent developments and use of endometrial epithelial “organoids” to study endometrial function in vitro provides a future method to screen and target specific endometrial genes as an alternative to generating a gene edited animal model. With continuing improvements in gene editing technology, future researchers will be able to design studies to enhance our knowledge of mechanisms essential for early development and survival of the conceptus.
Nonlinear dynamics investigation of contact force in a cam–follower system using the Lyapunov exponent parameter, power spectrum analysis, and Poincaré maps
Authors: Yousuf Louay S.
Published: June 2022

The aim of this article is to detect the detachment between the cam and the follower using the largest Lyapunov exponent parameter, the power density function of fast Fourier transform, and Poinaré maps due to the nonlinear dynamics phenomenon of the follower. The detachment between the cam and the follower was investigated for different cam speeds and different internal distances of the follower guide from inside. This study focuses on the use of the cam–follower system with a bionic quadruped robot through a linkage mechanism. Multishock absorber (spring–damper–mass) systems at the very end of the follower were used to improve the dynamic performance and to reduce the detachment between the cam and the follower. The SolidWorks program was used in the numerical solution, while a high‐speed camera at the foreground of the OPTOTRAK 30/20 equipment was used to identify the follower position. The friction and impact were considered between the cam and the follower and between the follower and its guide. In general, when the cam and the follower are in permanent contact, there is no loss in potential energy, and no impact or restitution. The detachment between the cam and the follower increases with increasing coefficient of restitution in the presence of the impact.
Correlation of BDNF, VEGF, TNF‐α, and S100B with cognitive impairments in chronic, medicated schizophrenia patients
Authors: Chukaew Phatcharee , Bunmak Nutthaya , Auampradit Natchaphon , Siripaiboonkij Apinya , Saengsawang Witchuda , Ratta‐apha Woraphat
Published: June 2022

Cognitive impairment is a prominent cause of disability in schizophrenia. Although antipsychotic drugs can rescue the psychotic symptoms, the cognitive impairments persist, with no treatment available. Alterations of BDNF, VEGF, TNF‐α, and S100B have been linked to cognitive impairment in several neurological disorders. However, it remains unclear whether their levels are correlated with the cognitive functions of schizophrenia patients. Forty‐one chronic, medicated schizophrenia patients were included in this study. Enzyme‐linked, immunosorbent assays were used to measure the serum concentrations of BDNF, VEGF, TNF‐α, and S100B. Associations between serum protein levels and various domains of the cognitive functions of the schizophrenia patients were observed. We found significant, positive correlations between serum BDNF and the processing speed and attention levels of the patients. Serum VEGF was also positively correlated with their memory and learning functions. In contrast, serum S100B and TNF‐α were negatively correlated with the processing speed and attention of the schizophrenia patients. The findings warrant further investigation of these molecules as potential prognostic markers or treatment targets for cognitive impairment in schizophrenia patients.